ACD/Labs0706041157 8 6 0 0 0 0 0 0 0 0 2 V2000 5.6324 -8.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9624 -8.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 -9.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2343 -9.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -11.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -11.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 -12.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 -12.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 M RAD 2 5 2 8 2 M END > Figure03 $$$$ ACD/Labs0706041158 6 6 0 0 0 0 0 0 0 0 1 V2000 5.6378 -4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 -5.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4859 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4859 -5.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3341 -4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3341 -5.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M END > Figure04 $$$$ ACD/Labs0706041159 8 8 0 0 0 0 0 0 0 0 1 V2000 8.1557 -4.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 -6.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 -3.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 -6.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1608 -3.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -4.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4857 -4.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 -4.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 M END > Figure05 $$$$ ACD/Labs0706041200 24 28 0 0 0 0 0 0 0 0 2 V2000 8.2376 -5.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9261 -6.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2376 -4.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 -5.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9261 -3.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 -4.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 -4.7959 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 -6.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 -6.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5678 -4.7959 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 -9.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 -10.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 -8.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 -9.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 -7.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 -8.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 -8.0004 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 3.3634 -9.2255 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 4.2535 -10.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7566 -8.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7566 -10.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6467 -9.2255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 2 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 1 2 0 0 0 0 12 10 1 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 21 16 1 0 0 0 0 22 15 2 0 0 0 0 23 13 2 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 M CHG 2 19 -1 20 1 M END > Figure06 $$$$ -ISIS- 07080409022D 54 54 0 0 0 0 0 0 0 0999 V2000 -3.6573 1.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6323 1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2632 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0562 0.1195 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6869 1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7702 1.6398 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5486 1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9684 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 1.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -0.0214 0.0000 C 0 5 3 0 0 0 0 0 0 0 0 0 3.2416 -0.0214 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6109 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 1.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 1.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3418 1.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3668 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9429 -0.1623 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3122 0.9845 0.0000 C 0 5 3 0 0 0 0 0 0 0 0 0 6.2290 1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4505 1.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0307 -1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6481 -1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -3.2741 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.3184 -3.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 -5.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 -5.1244 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2638 -3.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1806 -3.6042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4021 -3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9824 -6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5997 -6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6616 -2.9923 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.6866 -3.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 -4.8427 0.0000 C 0 5 3 0 0 0 0 0 0 0 0 0 9.2628 -4.8427 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6320 -3.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5488 -3.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7703 -3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3506 -5.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9680 -5.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -3.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -3.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 -4.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -4.8884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4226 -3.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5058 -3.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -3.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -5.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0867 -5.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 20 24 2 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 2 3 2 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 11 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 29 30 2 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 28 2 0 0 0 0 29 33 1 0 0 0 0 32 34 1 0 0 0 0 30 35 1 0 0 0 0 31 36 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 11 15 2 0 0 0 0 14 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 2 6 1 0 0 0 0 38 39 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 37 2 0 0 0 0 38 42 2 0 0 0 0 41 43 1 0 0 0 0 39 44 1 0 0 0 0 40 45 1 0 0 0 0 5 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 20 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 47 48 1 0 0 0 0 46 47 1 0 0 0 0 48 49 2 0 0 0 0 49 50 2 0 0 0 0 50 46 1 0 0 0 0 47 51 2 0 0 0 0 50 52 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 M CHG 8 4 1 6 -1 12 -1 13 1 22 1 23 -1 28 1 33 -1 M CHG 2 37 1 39 -1 M END > Figure07 $$$$ ACD/Labs0706041225 8 6 0 0 0 0 0 0 0 0 2 V2000 5.3380 -9.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 -8.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8101 -9.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1905 -8.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9461 -9.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1099 -8.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4182 -9.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7986 -8.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 M RAD 2 1 2 4 2 M END > Figure09 $$$$ -ISIS- 03220517362D 40 43 0 0 0 0 0 0 0 0999 V2000 6.7502 1.9640 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7448 0.9408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6221 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5094 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5108 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6517 3.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 -0.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3823 0.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3777 2.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 2.3174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1604 1.5114 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7316 0.6629 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 0.6639 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9557 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 0.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9906 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 2.8639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 2.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 1.2536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 1.9301 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6983 1.6638 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1792 2.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5034 0.6611 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.6810 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -0.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 2.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 0.6505 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4339 -1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 -1.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 0.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1768 1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 3.3019 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8417 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 1.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 22 4 0 0 0 0 4 5 4 0 0 0 0 5 10 1 0 0 0 0 11 12 4 0 0 0 0 2 3 4 0 0 0 0 5 6 4 0 0 0 0 20 21 4 0 0 0 0 22 23 4 0 0 0 0 23 24 4 0 0 0 0 24 20 4 0 0 0 0 6 1 4 0 0 0 0 24 25 1 0 0 0 0 1 11 4 0 0 0 0 25 26 1 0 0 0 0 12 13 4 0 0 0 0 25 27 1 0 0 0 0 13 2 4 0 0 0 0 27 28 2 0 0 0 0 1 2 4 0 0 0 0 27 29 2 0 0 0 0 27 15 1 0 0 0 0 6 7 1 0 0 0 0 14 30 1 0 0 0 0 14 15 4 0 0 0 0 19 31 1 0 0 0 0 3 4 4 0 0 0 0 18 32 1 0 0 0 0 15 16 4 0 0 0 0 16 33 1 0 0 0 0 3 8 1 0 0 0 0 17 34 1 0 0 0 0 16 17 4 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 17 18 4 0 0 0 0 36 37 2 0 0 0 0 36 12 1 0 0 0 0 4 9 1 0 0 0 0 11 38 1 0 0 0 0 18 19 4 0 0 0 0 21 39 1 0 0 0 0 19 14 4 0 0 0 0 22 40 1 0 0 0 0 M END > Figure09b-1 $$$$ -ISIS- 03220517372D 40 43 0 0 0 0 0 0 0 0999 V2000 7.2461 -3.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2407 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1179 -4.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0052 -4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0108 -3.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1288 -2.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1475 -2.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -5.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 -4.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8736 -2.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -3.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6563 -3.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2274 -4.6829 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 -3.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -4.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 -5.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 -5.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 -3.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 -2.4819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 -2.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -3.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 -4.0923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1884 -3.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -3.6821 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3166 -2.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -4.6847 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1851 -4.9141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 -5.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -2.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -3.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -4.6954 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9339 -6.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 -6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 -5.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6727 -3.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 -2.0439 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -1.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 -4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 11 12 1 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 20 1 0 0 0 0 6 1 1 0 0 0 0 24 25 1 0 0 0 0 1 11 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 25 27 1 0 0 0 0 13 2 1 0 0 0 0 27 28 2 0 0 0 0 1 2 1 0 0 0 0 27 29 2 0 0 0 0 27 15 1 0 0 0 0 6 7 1 0 0 0 0 14 30 1 0 0 0 0 14 15 1 0 0 0 0 19 31 1 0 0 0 0 3 4 1 0 0 0 0 18 32 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 3 8 1 0 0 0 0 17 34 1 0 0 0 0 16 17 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 17 18 1 0 0 0 0 36 37 2 0 0 0 0 36 12 1 0 0 0 0 4 9 1 0 0 0 0 11 38 1 0 0 0 0 18 19 1 0 0 0 0 21 39 1 0 0 0 0 19 14 1 0 0 0 0 22 40 1 0 0 0 0 M RAD 8 1 2 2 2 3 2 4 2 5 2 6 2 11 2 12 2 M RAD 8 14 2 15 2 16 2 17 2 18 2 19 2 20 2 21 2 M RAD 2 22 2 24 2 M END > Figure09b-2 $$$$ -ISIS- 03220517372D 40 43 0 0 0 0 0 0 0 0999 V2000 7.4961 -9.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4907 -10.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3679 -10.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2552 -10.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2608 -9.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3829 -8.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3975 -7.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3614 -11.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1323 -10.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1236 -8.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 -8.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9063 -9.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 -10.4871 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 -9.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -10.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 -11.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 -11.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 -10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 -9.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 -8.2861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 -8.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -9.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 -9.9006 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -9.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -9.4904 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5708 -8.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 -10.4931 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.9351 -10.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2288 -11.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 -8.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -8.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -10.5037 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1839 -12.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 -12.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 -11.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9227 -9.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 -7.8481 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -7.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -9.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 22 2 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 11 12 2 0 0 0 0 2 3 1 0 0 0 0 5 6 2 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 20 2 0 0 0 0 6 1 1 0 0 0 0 24 25 1 0 0 0 0 1 11 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 25 27 1 0 0 0 0 13 2 1 0 0 0 0 27 28 2 0 0 0 0 1 2 2 0 0 0 0 27 29 2 0 0 0 0 27 15 1 0 0 0 0 6 7 1 0 0 0 0 14 30 1 0 0 0 0 14 15 1 0 0 0 0 19 31 1 0 0 0 0 3 4 2 0 0 0 0 18 32 1 0 0 0 0 15 16 2 0 0 0 0 16 33 1 0 0 0 0 3 8 1 0 0 0 0 17 34 1 0 0 0 0 16 17 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 17 18 2 0 0 0 0 36 37 2 0 0 0 0 36 12 1 0 0 0 0 4 9 1 0 0 0 0 11 38 1 0 0 0 0 18 19 1 0 0 0 0 21 39 1 0 0 0 0 19 14 2 0 0 0 0 22 40 1 0 0 0 0 M END > Figure09b-3 $$$$ ACD/Labs0706041237 13 10 0 0 0 0 0 0 0 0 2 V2000 4.5538 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 -6.5287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 -7.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7482 -6.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8130 -7.7208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.8778 -8.9129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -13.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 -11.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0215 -13.1409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0863 -11.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1511 -13.1409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2159 -11.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1015 -12.2518 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 3 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 M CHG 2 5 1 13 1 M END > Figure10 $$$$ -ISIS- 07080408442D 23 18 0 0 0 0 0 0 0 0999 V2000 -4.1322 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 1.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 1.2133 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9763 2.3131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9763 0.2825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9961 2.3131 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 0.9961 0.2825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3581 0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1471 1.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6123 1.7098 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5140 2.8097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 0.7790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4865 2.8097 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 10.4865 0.7790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 -3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 -2.5845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8941 -2.5845 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7958 -1.4847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -3.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7683 -1.4847 0.0000 N 1 0 0 0 0 0 0 0 0 0 0 0 10.7683 -3.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3437 1.8450 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 13.0647 -2.3519 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 M CHG 3 3 1 22 1 23 1 M ISO 3 6 15 13 15 20 15 M END > Figure11-1 $$$$ ACD/Labs0706041253 32 27 0 0 0 0 0 0 0 0 2 V2000 8.9324 -13.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 -13.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 -14.9061 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3288 -16.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2674 -14.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 -15.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9806 -13.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9806 -16.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9161 -14.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8034 -15.6479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0139 -14.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4102 -13.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0752 -14.9850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4102 -16.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3489 -14.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0139 -15.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0621 -13.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0621 -16.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9976 -14.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8849 -15.7268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2618 -17.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6582 -17.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3232 -18.7947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6582 -19.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5968 -18.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2618 -19.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2537 -17.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3100 -19.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1328 -18.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1328 -19.5365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9699 -15.1571 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 21.1849 -18.5900 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 3 2 0 0 0 0 1 5 1 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 11 15 2 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 16 2 0 0 0 0 19 17 2 0 0 0 0 20 18 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 21 25 1 0 0 0 0 26 25 2 0 0 0 0 27 21 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 0 0 0 0 M CHG 3 3 1 31 1 32 1 M END > Figure11-2 $$$$ ACD/Labs0708041000 41 36 0 0 0 0 0 0 0 0 2 V2000 3.3928 -4.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -5.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -6.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 -4.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 -5.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -4.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 -6.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -3.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 -5.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -6.9374 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3969 -5.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1346 -8.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 -7.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7253 -4.0295 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.8186 -4.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8186 -5.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9118 -4.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0051 -4.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0983 -4.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0051 -5.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0983 -2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1915 -4.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0983 -6.5542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.7295 -5.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4671 -7.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1915 -7.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8155 -10.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9087 -10.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9087 -11.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0020 -10.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0952 -10.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1885 -10.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0952 -11.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1885 -8.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2817 -10.6344 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.1885 -12.5280 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.8197 -11.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5573 -13.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2817 -13.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1303 -6.1203 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 19.9756 -11.9184 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 10 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 23 1 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 28 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 31 1 0 0 0 0 34 32 2 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 36 1 0 0 0 0 M CHG 7 10 1 14 -1 23 1 35 -1 36 1 40 1 41 1 M END > Figure11-3 $$$$ -ISIS- 07070420462D 52 56 0 0 0 0 0 0 0 0999 V2000 -4.6599 1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 0.3728 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 -4.6599 -0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -0.7523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 1.6669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 -0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 1.6938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 -4.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 -5.2065 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 -4.8966 -6.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 -6.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 -3.9123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 -5.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 -4.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 -6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 -3.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 -5.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 -4.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 -6.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 -3.8855 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 5.3489 -3.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 -4.9923 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.3489 -6.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3257 -6.1174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3821 -3.6982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5257 -5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5257 -4.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 -6.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 -3.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8137 -5.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8137 -4.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9577 -6.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9577 -3.6713 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 -0.1115 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.5598 -1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -1.2365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 1.1827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7366 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7366 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0246 -0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0246 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1686 -1.4325 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 12.1686 1.2095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 15 1 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 19 20 1 0 0 0 0 21 19 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 6 7 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 10 11 1 0 0 0 0 12 10 2 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 28 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 0 0 0 0 32 33 1 0 0 0 0 34 32 2 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 2 0 0 0 0 36 37 1 0 0 0 0 38 36 2 0 0 0 0 39 37 1 0 0 0 0 13 11 2 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 23 24 1 0 0 0 0 25 23 2 0 0 0 0 26 24 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 41 40 1 0 0 0 0 42 40 1 0 0 0 0 43 40 1 0 0 0 0 44 42 2 0 0 0 0 45 43 1 0 0 0 0 44 45 1 0 0 0 0 46 44 1 0 0 0 0 47 45 2 0 0 0 0 48 46 2 0 0 0 0 49 47 1 0 0 0 0 48 49 1 0 0 0 0 50 48 1 0 0 0 0 51 49 2 0 0 0 0 52 40 1 0 0 0 0 M CHG 6 2 1 15 1 26 -1 28 1 40 1 50 1 M END > Figure11-4 $$$$ -ISIS- 07080408452D 27 27 0 0 0 0 0 0 0 0999 V2000 -4.4022 1.3491 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.5694 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 2.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2254 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2254 2.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 0.6886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0814 2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 1.4066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4164 0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 2.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 2.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9044 0.7461 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9044 2.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 -2.8539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1346 -3.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 -3.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 -2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -4.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4786 -1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6226 -3.5144 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6226 -2.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 3 2 0 0 0 0 4 5 1 0 0 0 0 6 4 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 13 14 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 22 23 1 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 M CHG 1 1 -1 M END > Figure11-5 $$$$ -ISIS- 07060413122D 60 64 0 0 0 0 0 0 0 0999 V2000 -0.6233 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 1.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2577 -0.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 1.0855 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8991 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.1251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 1.3222 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5370 -0.0293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 0.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5334 -0.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 1.4516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 2.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 0.0921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.1996 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5625 0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 0.2340 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9733 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 1.4270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 0.0921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 0.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 -0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 1.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -0.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -3.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -3.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -4.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -3.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -3.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -4.0028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.8056 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.7580 -4.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -1.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 -3.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -4.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0944 -2.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -1.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7318 -2.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7318 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -3.8974 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4484 -2.7857 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4484 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -3.7556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8674 -3.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -2.5584 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8129 -3.8974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 -3.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -2.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -1.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -4.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 21 1 0 0 0 0 26 18 2 0 0 0 0 27 25 1 0 0 0 0 28 25 1 0 0 0 0 29 20 1 0 0 0 0 30 22 1 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 8 7 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 38 37 2 0 0 0 0 32 37 1 0 0 0 0 39 38 1 0 0 0 0 31 32 2 0 0 0 0 31 39 1 0 0 0 0 40 36 1 0 0 0 0 41 33 1 0 0 0 0 42 40 1 0 0 0 0 43 40 1 0 0 0 0 44 39 1 0 0 0 0 45 41 1 0 0 0 0 2 7 1 0 0 0 0 9 8 1 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 10 6 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 23 22 1 0 0 0 0 17 22 1 0 0 0 0 24 23 2 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 51 1 0 0 0 0 53 52 2 0 0 0 0 47 52 1 0 0 0 0 54 53 1 0 0 0 0 46 47 2 0 0 0 0 46 54 1 0 0 0 0 55 51 2 0 0 0 0 56 48 2 0 0 0 0 57 55 1 0 0 0 0 58 50 1 0 0 0 0 59 54 1 0 0 0 0 60 49 1 0 0 0 0 M END > Figure12 $$$$ ACD/Labs0706041313 11 12 0 0 0 0 0 0 0 0 1 V2000 7.3431 -4.5761 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3431 -5.9061 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 -3.9111 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 -6.5711 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 -4.5761 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 -5.9061 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 -6.3172 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3898 -5.2412 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6081 -4.1651 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8877 -6.5711 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 -2.5811 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 8 7 1 0 0 0 0 2 7 1 0 0 0 0 9 8 2 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 10 6 1 0 0 0 0 11 3 2 0 0 0 0 M END > Figure13 $$$$ -ISIS- 07080408472D 30 27 0 0 0 0 0 0 0 0999 V2000 -3.6710 1.3232 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7271 1.3232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 2.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 2.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 1.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 1.3232 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7717 1.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 1.1607 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5695 1.1607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 1.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8859 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6262 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 2.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5702 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5141 1.1607 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2890 2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -2.3760 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.6909 -2.3760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3511 -1.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 -2.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 -2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 -2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2537 -2.3760 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9159 -1.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 -3.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 10 1 0 0 0 0 2 5 1 0 0 0 0 12 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 1 2 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 1 3 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 4 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M CHG 3 1 1 18 1 28 1 M END > Figure14 $$$$ -ISIS- 07080408492D 27 24 0 0 0 0 0 0 0 0999 V2000 -4.6752 1.5583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5819 0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5819 -0.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 0.9271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3022 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 2.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 0.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -0.9664 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 0.3290 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -2.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7911 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 1.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8307 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 0.7784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0172 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0172 2.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1104 0.7784 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0172 -1.1152 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 9.6484 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 -2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1104 -1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8043 -0.5056 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 13 10 1 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 26 23 1 0 0 0 0 12 10 1 0 0 0 0 M CHG 5 1 -1 10 1 22 -1 23 1 27 1 M END > Figure16a-b $$$$ ACD/Labs0706041425 56 60 0 0 0 0 0 0 0 0 2 V2000 3.4469 -10.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5465 -11.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1468 -11.8629 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3693 -12.9954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -10.7305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7005 -12.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7005 -11.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9128 -13.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9128 -10.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -12.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -11.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3372 -13.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3372 -10.4632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4469 -13.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 -16.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0425 -17.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 -17.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8652 -18.9015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8652 -16.6366 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1965 -18.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1965 -17.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4087 -19.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4087 -16.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 -18.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 -17.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8332 -19.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8332 -16.3693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 -18.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6423 -10.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7420 -12.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3422 -12.0320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5647 -13.1644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5647 -10.8996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8960 -12.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8960 -11.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1082 -13.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1082 -10.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3204 -12.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3204 -11.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5327 -13.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5327 -10.6322 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6423 -13.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5747 -16.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6743 -18.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2746 -18.1522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4971 -19.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4971 -17.0198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8283 -18.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8283 -17.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0406 -19.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0406 -16.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2528 -18.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2528 -17.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4650 -19.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4650 -16.7525 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5747 -19.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 6 7 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 10 11 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 1 3 1 0 0 0 0 14 3 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 16 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 20 21 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 24 25 1 0 0 0 0 26 24 2 0 0 0 0 27 25 2 0 0 0 0 15 17 1 0 0 0 0 28 17 1 0 0 0 0 31 30 1 0 0 0 0 32 30 1 0 0 0 0 33 30 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 34 35 1 0 0 0 0 36 34 2 0 0 0 0 37 35 2 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 38 39 1 0 0 0 0 40 38 2 0 0 0 0 41 39 2 0 0 0 0 29 31 1 0 0 0 0 42 31 1 0 0 0 0 45 44 1 0 0 0 0 46 44 1 0 0 0 0 47 44 2 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 48 49 1 0 0 0 0 50 48 2 0 0 0 0 51 49 2 0 0 0 0 52 50 1 0 0 0 0 53 51 1 0 0 0 0 52 53 1 0 0 0 0 54 52 2 0 0 0 0 55 53 2 0 0 0 0 43 45 1 0 0 0 0 56 45 1 0 0 0 0 M CHG 2 3 1 19 1 M END > Figure16c-g $$$$ ACD/Labs0706041427 7 7 0 0 0 0 0 0 0 0 4 V2000 3.3341 -4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3341 -5.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -5.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 -4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 -5.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 -5.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 7 6 1 0 0 0 0 M ISO 2 3 13 6 13 A 7 D M END > Figure17 $$$$ -ISIS- 07080408512D 32 28 0 0 0 0 0 0 0 0999 V2000 -1.6834 -1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -2.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4792 -2.7209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.2667 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -3.6584 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -2.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -3.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 -2.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -2.7209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 -3.6584 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.8750 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 -2.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7373 -5.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7401 -6.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 -6.4724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5467 -6.4691 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5495 -7.3923 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -6.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -4.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -7.3956 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -5.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -6.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1458 -6.5459 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5500 -6.0917 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -7.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -7.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -6.0792 0.0000 D 0 0 0 0 0 0 0 0 0 0 0 0 9 14 1 0 0 0 0 12 15 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 1 2 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 17 23 1 0 0 0 0 19 24 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 2 3 1 0 0 0 0 12 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 M END > Figure18 $$$$ ACD/Labs0706041433 4 3 0 0 0 0 0 0 0 0 3 V2000 6.9139 -5.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 -6.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -7.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 -7.3498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 A 3 ND2 M END > Figure19 $$$$ ACD/Labs0706041623 6 5 0 0 0 0 0 0 0 0 1 V2000 8.8223 -7.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3131 -7.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6436 -8.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6928 -8.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 -9.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8223 -9.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 1 0 0 0 2 4 1 0 0 0 0 5 4 1 0 0 0 0 1 3 1 0 0 0 0 6 3 1 0 0 0 0 M END > Figure20 $$$$ ACD/Labs0708040930 24 20 0 0 0 0 0 0 0 0 2 V2000 6.3919 -3.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -3.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 -4.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -5.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7235 -4.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -5.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9937 -3.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8129 -3.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4813 -4.5705 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 8.8129 -5.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3253 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9937 -5.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6180 -3.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4936 -3.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1620 -4.5592 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 14.4936 -5.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9496 -4.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6180 -5.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7308 -2.4008 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.7382 -3.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5575 -3.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2259 -4.5705 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.5575 -5.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0699 -4.5705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 3 2 0 0 0 0 1 5 1 0 0 0 0 6 5 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 7 11 1 0 0 0 0 12 11 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 15 2 0 0 0 0 13 17 1 0 0 0 0 18 17 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 22 2 0 0 0 0 20 24 1 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 22 1 M END > Figure21 $$$$ ACD/Labs0708040930 48 40 0 0 0 0 0 0 0 0 2 V2000 6.3919 -7.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -7.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 -8.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -9.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7235 -8.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -9.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9937 -7.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8129 -7.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4813 -8.7746 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 8.8129 -9.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3253 -8.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9937 -9.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8885 -7.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7641 -7.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4325 -8.4928 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 14.7641 -9.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2201 -8.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8885 -9.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0014 -6.3344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.0088 -7.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8280 -7.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4964 -8.5041 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.8280 -9.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3404 -8.5041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3468 -11.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 -11.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 -13.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 -14.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6784 -13.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3468 -14.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9486 -11.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7679 -11.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4362 -13.1478 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 8.7679 -14.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2802 -13.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9486 -14.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5729 -11.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4485 -11.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1169 -13.1366 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 14.4485 -14.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9045 -13.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5729 -14.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6858 -10.9781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.6932 -11.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5124 -11.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1808 -13.1478 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.5124 -14.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0248 -13.1478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 6 0 0 0 3 4 1 1 0 0 0 5 3 2 0 0 0 0 5 1 1 1 0 0 0 5 6 1 6 0 0 0 9 8 1 6 0 0 0 9 10 1 1 0 0 0 11 9 2 0 0 0 0 11 7 1 1 0 0 0 11 12 1 6 0 0 0 15 14 1 6 0 0 0 15 16 1 1 0 0 0 17 15 2 0 0 0 0 17 13 1 1 0 0 0 17 18 1 6 0 0 0 22 21 1 6 0 0 0 22 23 1 1 0 0 0 24 22 2 0 0 0 0 24 20 1 1 0 0 0 19 21 1 0 0 0 0 27 26 1 6 0 0 0 27 28 1 1 0 0 0 29 27 2 0 0 0 0 29 25 1 6 0 0 0 29 30 1 1 0 0 0 33 32 1 6 0 0 0 33 34 1 1 0 0 0 35 33 2 0 0 0 0 35 31 1 6 0 0 0 35 36 1 1 0 0 0 39 38 1 6 0 0 0 39 40 1 1 0 0 0 41 39 2 0 0 0 0 41 37 1 6 0 0 0 41 42 1 1 0 0 0 46 45 1 6 0 0 0 46 47 1 1 0 0 0 48 46 2 0 0 0 0 48 44 1 6 0 0 0 43 45 1 0 0 0 0 M CHG 2 22 1 46 1 M END > Figure21a $$$$ -ISIS- 07080408522D 16 12 0 0 0 0 0 0 0 0999 V2000 -4.0308 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4939 0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0569 1.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2318 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4067 1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5816 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7956 -1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7956 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6207 -4.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -4.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 6 5 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 M RAD 4 4 2 6 2 9 2 15 2 M END > Figure22 $$$$ -ISIS- 07080408532D 28 24 0 0 0 0 0 0 0 0999 V2000 -1.4216 2.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 -1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 0.8933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1171 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5584 2.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2538 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2538 -1.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5584 0.9159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8629 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1674 0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4719 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 -2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -4.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -5.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 -3.6895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4789 -4.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 -3.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 -2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5182 -2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5182 -3.6280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8227 -4.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1273 -3.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1273 -2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 18 15 1 1 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 4 1 1 1 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 11 8 1 1 0 0 0 12 11 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 25 22 1 1 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 M RAD 4 7 2 12 2 21 2 26 2 M END > Figure23 $$$$ -ISIS- 07080408542D 18 18 0 0 0 0 0 0 0 0999 V2000 -0.9263 -4.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 -3.2638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9263 -1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 -4.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 -1.7828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6389 -3.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 -0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2648 -0.9277 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4915 -3.2638 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5597 -4.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -3.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5597 -1.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2699 -4.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2699 -1.9240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1249 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2699 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7509 -1.0689 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 -3.4050 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5 8 1 6 0 0 0 2 9 1 1 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 5 7 1 1 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 1 0 0 0 0 14 16 1 1 0 0 0 14 17 1 6 0 0 0 11 18 1 4 0 0 0 M END > Figure24 $$$$ -ISIS- 07080408552D 24 22 0 0 0 0 0 0 0 0999 V2000 -2.8706 2.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 1.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 2.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 0.4925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1644 0.4925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0397 0.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7097 -0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3254 -1.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1644 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 0.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1644 1.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8747 2.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0725 2.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 0.5228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9098 0.5228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7056 0.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 -0.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0707 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 -0.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -1.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2398 0.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 1.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 12 1 1 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 4 6 1 1 0 0 0 4 7 1 6 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 6 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 16 18 1 6 0 0 0 16 19 1 1 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 1 0 0 0 17 24 1 6 0 0 0 M END > Figure25 $$$$ ACD/Labs0708040944 45 39 0 0 0 0 0 0 0 0 1 V2000 8.1265 -2.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -2.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1253 -3.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 -3.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3263 -3.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1265 -5.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7490 -2.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9475 -2.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7477 -3.9900 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 11.9475 -5.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3482 -3.9900 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 15.9487 -3.9900 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 16.7490 -5.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -7.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 -9.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 -10.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 -9.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 -9.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1308 -9.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9999 -7.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2936 -10.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3231 -7.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 -8.9831 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 11.5902 -10.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7249 -8.9831 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 15.9402 -8.9831 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 17.1829 -8.9831 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 17.9734 -7.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2405 -10.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 -12.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -12.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6293 -13.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -15.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4553 -13.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 -13.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 -15.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6320 -12.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8229 -13.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9328 -14.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3652 -13.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3517 -13.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8500 -13.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7402 -12.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1394 -14.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 6 0 0 0 3 4 1 1 0 0 0 5 3 2 0 0 0 0 6 5 2 0 0 0 0 6 1 1 1 0 0 0 6 7 1 6 0 0 0 10 9 1 1 0 0 0 10 11 1 6 0 0 0 12 10 2 0 0 0 0 13 12 2 0 0 0 0 13 8 1 6 0 0 0 13 14 1 1 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 2 0 0 0 0 19 18 2 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 24 2 0 0 0 0 27 26 2 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 30 28 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 0 0 0 0 35 33 2 0 0 0 0 36 35 2 0 0 0 0 31 36 1 0 0 0 0 37 36 1 0 0 0 0 39 38 1 6 0 0 0 39 40 1 1 0 0 0 41 39 2 0 0 0 0 42 41 2 0 0 0 0 43 42 2 0 0 0 0 43 44 1 1 0 0 0 43 45 1 6 0 0 0 M END > Figure26 $$$$ ACD/Labs0707041805 6 6 0 0 0 0 0 0 0 0 1 V2000 7.2438 -5.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2438 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 -5.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0444 -8.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0444 -3.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 -5.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 1 0 0 0 1 5 1 6 0 0 0 3 6 1 1 0 0 0 M END > Figure27 $$$$ -ISIS- 07080408562D 18 18 0 0 0 0 0 0 0 0999 V2000 -1.9733 -3.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1972 -2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -3.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 -4.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 -4.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1972 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6617 -3.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 -3.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5598 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1119 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -3.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4562 -3.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -0.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9916 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -5.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 1 3 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 10 12 1 0 0 0 0 13 10 2 0 0 0 0 14 12 2 0 0 0 0 15 11 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 M END > Figure28 $$$$ ACD/Labs0322051748 13 16 0 0 0 0 0 0 0 0 1 V2000 8.6655 -8.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -10.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -11.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2433 -10.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 -10.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1965 -7.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5256 -8.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4788 -11.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9711 -13.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 -13.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 -11.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8523 -8.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -7.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 6 0 0 0 2 4 1 1 0 0 0 2 5 1 1 0 0 0 1 6 1 1 0 0 0 7 6 1 0 0 0 0 4 7 1 6 0 0 0 4 8 1 6 0 0 0 9 8 1 0 0 0 0 3 9 1 1 0 0 0 3 10 1 1 0 0 0 11 10 1 0 0 0 0 5 11 1 6 0 0 0 5 12 1 6 0 0 0 12 13 1 0 0 0 0 1 13 1 1 0 0 0 M END > Figure29 $$$$ ACD/Labs0707041259 4 3 0 0 0 0 0 0 0 0 3 V2000 9.8045 -9.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5224 -8.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2404 -9.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9583 -8.1547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 A 1 DS M END > FigureA3-2 $$$$ ACD/Labs0707041258 6 4 0 0 0 0 0 0 0 0 2 V2000 6.0492 -6.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 -6.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8372 -5.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -6.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2244 -6.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4130 -5.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 M ISO 2 3 15 6 17 M END > FigureA3-3 $$$$ -ISIS- 07060413122D 60 64 0 0 0 0 0 0 0 0999 V2000 -0.6233 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 1.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2577 -0.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 1.0855 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8991 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.1251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 1.3222 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5370 -0.0293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 0.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5334 -0.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 1.4516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 2.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 0.0921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.1996 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5625 0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 0.2340 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9733 0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 1.4270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 0.0921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 2.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 0.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 -0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 1.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -0.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -3.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -3.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -4.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -3.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -3.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -4.0028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.8056 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.7580 -4.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -1.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 -3.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -4.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0944 -2.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -1.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7318 -2.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7318 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -3.8974 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4484 -2.7857 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4484 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -3.7556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8674 -3.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -2.5584 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8129 -3.8974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 -3.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -2.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 -1.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -4.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 21 1 0 0 0 0 26 18 2 0 0 0 0 27 25 1 0 0 0 0 28 25 1 0 0 0 0 29 20 1 0 0 0 0 30 22 1 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 8 7 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 38 37 2 0 0 0 0 32 37 1 0 0 0 0 39 38 1 0 0 0 0 31 32 2 0 0 0 0 31 39 1 0 0 0 0 40 36 1 0 0 0 0 41 33 1 0 0 0 0 42 40 1 0 0 0 0 43 40 1 0 0 0 0 44 39 1 0 0 0 0 45 41 1 0 0 0 0 2 7 1 0 0 0 0 9 8 1 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 10 6 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 23 22 1 0 0 0 0 17 22 1 0 0 0 0 24 23 2 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 51 1 0 0 0 0 53 52 2 0 0 0 0 47 52 1 0 0 0 0 54 53 1 0 0 0 0 46 47 2 0 0 0 0 46 54 1 0 0 0 0 55 51 2 0 0 0 0 56 48 2 0 0 0 0 57 55 1 0 0 0 0 58 50 1 0 0 0 0 59 54 1 0 0 0 0 60 49 1 0 0 0 0 M END > FigureA5-1 $$$$ ACD/Labs0708041644 54 49 0 0 0 0 0 0 0 0 2 V2000 3.3137 -8.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 -4.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -6.3517 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8446 -5.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6393 -6.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0234 -5.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -5.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2287 -6.3517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2287 -8.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1710 -8.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6422 -5.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 -6.8251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9611 -5.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7558 -6.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1399 -5.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5505 -5.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3452 -6.8251 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 23.3452 -8.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2136 -12.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 -12.2416 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0545 -9.9380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 -11.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 -12.2416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7903 -11.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9368 -13.5061 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.2956 -14.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2956 -11.7899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0959 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6964 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4967 -11.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4967 -14.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0959 -10.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6951 -11.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8949 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8949 -10.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2944 -13.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4941 -11.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2944 -10.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6964 -10.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0972 -11.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8974 -10.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6964 -15.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0972 -14.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8974 -15.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 -18.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 -17.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 -16.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2803 -17.3365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9453 -16.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2991 -18.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9641 -17.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2991 -16.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2941 -17.3787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9591 -16.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 2 3 1 0 0 0 0 7 5 2 0 0 0 0 8 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 1 0 0 0 0 1 3 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 11 12 1 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 15 17 1 0 0 0 0 18 17 1 0 0 0 0 10 12 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 22 2 0 0 0 0 20 24 1 0 0 0 0 19 20 2 0 0 0 0 25 20 1 0 0 0 0 29 28 2 0 0 0 0 27 28 1 0 0 0 0 30 29 1 0 0 0 0 31 29 1 0 0 0 0 32 27 1 0 0 0 0 33 27 1 0 0 0 0 26 28 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 38 35 2 0 0 0 0 39 30 2 0 0 0 0 40 30 1 0 0 0 0 41 40 1 0 0 0 0 42 31 2 0 0 0 0 43 31 1 0 0 0 0 44 43 1 0 0 0 0 48 49 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 45 46 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 4 3 1 17 1 20 1 25 -1 M END > FigureA5-2 $$$$ -ISIS- 07080414562D 29 22 0 0 0 0 0 0 0 0999 V2000 -4.3679 -0.3790 0.0000 N 0 0 0 0 0 5 0 0 0 0 0 0 -3.4234 -2.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5345 -2.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 -1.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8496 1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6232 -0.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5025 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8412 -3.6702 0.0000 N 0 0 0 0 0 5 0 0 0 0 0 0 -3.8968 -5.3061 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2266 -4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 -3.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 -6.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 -2.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3302 -4.7828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 -6.4695 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.0447 0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8865 -0.2671 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 9.2725 0.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6586 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6586 -1.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 -5.0499 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 8.7624 -3.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8926 -3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0229 -3.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7001 -6.3930 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 9.8303 -6.3930 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18 17 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 14 17 1 0 0 0 0 13 17 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 7 8 1 0 0 0 0 6 8 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 19 22 2 0 0 0 0 23 22 1 0 0 0 0 5 8 1 0 0 0 0 4 8 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 3 0 0 0 0 12 11 1 0 0 0 0 29 28 1 0 0 0 0 M END > Table04 $$$$ -ISIS- 07080410252D 38 38 0 0 0 0 0 0 0 0999 V2000 0.4336 -1.0711 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3692 -1.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6929 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2425 -1.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.1744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3523 -1.2144 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6760 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9427 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4397 -0.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9804 1.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3915 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -1.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 -4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 -4.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 -4.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 -3.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3977 -4.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 -3.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2133 -2.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -3.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -5.6945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 -5.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 -4.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 -4.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5727 -3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 -3.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0615 -3.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3363 -3.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8771 -2.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2882 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6373 -5.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7642 -5.4556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 20 21 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 19 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 2 0 0 0 0 5 8 1 0 0 0 0 1 9 1 0 0 0 0 2 3 2 0 0 0 0 14 17 1 0 0 0 0 11 18 1 0 0 0 0 11 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 2 0 0 0 0 30 31 2 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 29 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 29 37 2 0 0 0 0 30 38 1 0 0 0 0 M END > Table06-1 $$$$ -ISIS- 07080408592D 50 50 0 0 0 0 0 0 0 0999 V2000 7.2588 -0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9337 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0415 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1347 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6151 -1.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5461 -1.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1089 1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6653 0.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0392 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -2.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -2.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 -1.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5389 0.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4408 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2800 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1157 -0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2235 -1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3167 -1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7971 -1.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7281 -1.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2908 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8473 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2212 -1.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1229 -2.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3866 -2.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3149 -1.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7209 0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8812 -5.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8825 -6.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0769 -6.8148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2693 -6.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -5.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0789 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 -4.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0817 -4.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6866 -4.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6882 -6.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4633 -6.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0837 -5.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0850 -6.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2793 -6.7676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4718 -6.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4750 -5.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2813 -4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6715 -4.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2841 -3.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8891 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8906 -6.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6658 -6.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 19 24 1 0 0 0 0 21 25 2 0 0 0 0 20 26 1 0 0 0 0 18 27 1 0 0 0 0 15 28 1 0 0 0 0 7 11 1 0 0 0 0 6 12 2 0 0 0 0 4 13 1 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 1 4 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 29 37 1 0 0 0 0 30 38 1 0 0 0 0 32 39 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 5 10 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 17 19 2 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 46 1 0 0 0 0 45 47 2 0 0 0 0 40 48 1 0 0 0 0 41 49 1 0 0 0 0 43 50 1 0 0 0 0 M END > Table06-2 $$$$ ACD/Labs0708041021 90 72 0 0 0 0 0 0 0 0 3 V2000 3.8425 -2.9972 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 -4.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 -4.0163 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 -4.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8378 -4.9227 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6513 -3.0676 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6513 -4.0867 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 8.6093 -4.0867 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7496 -4.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 -4.9931 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7746 -3.1005 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.7746 -4.1196 0.0000 Ge 0 0 0 0 0 0 0 0 0 0 0 0 12.8454 -4.1196 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10.8729 -4.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7699 -5.0260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.5834 -3.0301 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.5834 -4.0492 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.6259 -4.0492 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.6817 -4.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5787 -4.9556 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.0586 -3.0676 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.0586 -4.0867 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 20.0167 -4.0867 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.1569 -4.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0539 -4.9931 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7758 -5.7718 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7758 -6.7909 0.0000 As 0 3 0 0 0 0 0 0 0 0 0 0 4.7339 -6.7909 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -6.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 -7.6973 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 -5.7718 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 -6.7909 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 8.6131 -6.7909 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 -6.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6503 -7.6973 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 -5.8197 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 -6.8388 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 12.6106 -6.8388 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10.8072 -6.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6478 -7.8015 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.4378 -5.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4378 -6.8764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3958 -6.8764 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.5924 -6.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4331 -7.8391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.2183 -5.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2183 -6.9468 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.1764 -6.9468 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.3730 -6.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2136 -7.8532 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.7646 -9.5317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6375 -9.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7996 -8.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7946 -10.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9351 -9.5995 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0898 -9.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3288 -8.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5073 -10.2831 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.4714 -9.6418 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 14.6262 -9.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0342 -8.6628 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.0436 -10.3253 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -12.3985 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 11.3547 -12.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5937 -11.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6594 -13.1384 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.6846 -12.3187 0.0000 Se 0 3 0 0 0 0 0 0 0 0 0 0 14.8394 -12.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0783 -11.4525 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.2568 -13.0023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -8.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -9.5974 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1105 -9.5974 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 -9.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 -10.5038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -8.7615 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -9.6679 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 9.0602 -9.6679 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 -9.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9283 -10.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0182 -11.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0182 -12.3870 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 5.1453 -12.3870 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 -12.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -13.2934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -11.5511 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9678 -12.4575 0.0000 Se 0 3 0 0 0 0 0 0 0 0 0 0 9.0949 -12.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -12.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9631 -13.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 1 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 1 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 1 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 1 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 1 0 0 0 36 37 1 0 0 0 0 37 40 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 1 0 0 0 41 42 2 0 0 0 0 42 45 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 46 47 2 0 0 0 0 47 50 1 0 0 0 0 51 54 1 0 0 0 0 51 52 1 1 0 0 0 51 53 1 0 0 0 0 54 53 1 0 0 0 0 55 56 1 1 0 0 0 55 57 2 0 0 0 0 55 58 1 0 0 0 0 59 60 1 1 0 0 0 59 61 1 0 0 0 0 59 62 1 0 0 0 0 63 64 1 1 0 0 0 63 65 2 0 0 0 0 63 66 1 0 0 0 0 67 68 1 1 0 0 0 67 69 1 0 0 0 0 67 70 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 1 0 0 0 71 72 2 0 0 0 0 72 75 2 0 0 0 0 77 78 1 0 0 0 0 77 79 1 1 0 0 0 76 77 1 0 0 0 0 77 80 2 0 0 0 0 82 83 1 0 0 0 0 82 84 1 1 0 0 0 81 82 2 0 0 0 0 82 85 2 0 0 0 0 87 88 1 0 0 0 0 87 89 1 1 0 0 0 86 87 1 0 0 0 0 87 90 2 0 0 0 0 M CHG 8 16 -1 17 1 21 -1 22 1 27 1 32 -1 59 1 61 -1 M CHG 5 67 1 69 -1 77 1 86 -1 87 1 M END > Table08 $$$$ ACD/Labs0708041433 119 95 0 0 0 0 0 0 0 0 1 V2000 1.7773 -5.6172 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 -6.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7967 -5.6500 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 -7.4487 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7588 -5.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6104 -6.7818 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5966 -6.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6298 -6.7490 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.5919 -7.3642 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5919 -4.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1448 -5.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3471 -6.2042 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -6.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1448 -7.4018 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8304 -9.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -8.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -10.9791 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 -9.7815 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 -9.7815 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6579 -9.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 -8.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 -10.9904 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 -9.7928 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 -9.7928 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5136 -10.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5089 -8.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5089 -11.2233 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.7111 -10.0257 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 -10.0257 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5167 -9.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5120 -8.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3192 -9.8942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.7143 -9.8942 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 14.5120 -11.0918 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.7537 -9.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7491 -8.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5562 -9.8679 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.9513 -9.8679 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 18.7491 -11.0655 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 23.0415 -9.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8439 -9.8895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 24.2391 -9.8895 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 23.0368 -11.0871 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 23.0368 -8.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0799 -13.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4835 -12.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8824 -13.7537 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4178 -14.9512 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.2775 -13.7208 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 13.8839 -6.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0815 -5.4917 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12.6864 -5.5481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 -7.0838 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.6855 -5.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6808 -4.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8831 -5.9859 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 21.4879 -5.9859 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 22.6808 -7.1835 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4259 -17.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 -17.4046 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 -16.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 -17.4046 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 -18.6022 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -13.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -12.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 -13.7405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6184 -14.9381 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3276 -13.7405 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -13.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 -12.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 -13.5057 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9613 -14.7033 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 -13.5386 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 -13.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8583 -12.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2572 -13.4644 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 22.7926 -14.6619 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 24.6523 -13.4644 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 14.8736 -13.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3292 -12.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6761 -13.7490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.3621 -14.9465 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.0712 -13.7490 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 19.0336 -13.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0289 -12.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8361 -13.7067 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.0618 -14.9043 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.2312 -13.7067 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.7049 -17.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7768 -16.9833 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 -17.9362 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3892 -18.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2914 -16.2413 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0029 -17.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2985 -16.5151 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 10.0871 -18.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2471 -16.3414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.8054 -17.4309 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.4231 -17.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 -16.6945 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 14.5120 -18.4556 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.8505 -16.4832 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.2255 -17.6807 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19.8264 -17.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9153 -16.7227 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 18.9482 -18.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1786 -16.4080 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.6288 -17.6761 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.2910 -6.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2863 -5.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4885 -5.9313 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 17.0934 -5.9313 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.2863 -7.1289 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 23.0421 -17.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0374 -15.8792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 24.0753 -17.6732 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.0042 -17.6732 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 1 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 1 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 1 0 0 0 21 24 1 6 0 0 0 21 25 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 1 0 0 0 26 29 1 6 0 0 0 26 30 1 6 0 0 0 31 32 1 1 0 0 0 31 33 1 1 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 1 0 0 0 36 39 1 6 0 0 0 36 40 1 0 0 0 0 41 45 1 1 0 0 0 41 42 1 1 0 0 0 41 43 1 6 0 0 0 41 44 1 6 0 0 0 46 47 1 1 0 0 0 46 48 1 1 0 0 0 46 49 1 1 0 0 0 46 50 1 0 0 0 0 51 52 1 1 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 51 55 1 6 0 0 0 56 57 1 1 0 0 0 56 58 1 0 0 0 0 56 59 1 6 0 0 0 56 60 1 0 0 0 0 61 62 1 1 0 0 0 61 63 1 1 0 0 0 61 64 1 1 0 0 0 61 65 1 1 0 0 0 66 67 1 1 0 0 0 66 68 1 1 0 0 0 66 69 1 1 0 0 0 66 70 1 0 0 0 0 71 72 1 1 0 0 0 71 73 1 1 0 0 0 71 74 1 1 0 0 0 71 75 1 0 0 0 0 76 77 1 1 0 0 0 76 78 1 1 0 0 0 76 79 1 1 0 0 0 76 80 1 6 0 0 0 81 82 1 1 0 0 0 81 83 1 1 0 0 0 81 84 1 1 0 0 0 81 85 1 6 0 0 0 86 87 1 1 0 0 0 86 88 1 1 0 0 0 86 89 1 1 0 0 0 86 90 1 6 0 0 0 91 92 1 1 0 0 0 91 95 1 0 0 0 0 91 93 1 6 0 0 0 91 94 1 0 0 0 0 96 97 1 1 0 0 0 96 98 1 1 0 0 0 96 99 1 0 0 0 0 96100 1 0 0 0 0 101102 1 1 0 0 0 101103 1 1 0 0 0 101104 1 6 0 0 0 101105 1 0 0 0 0 106107 1 1 0 0 0 106108 1 1 0 0 0 106109 1 6 0 0 0 106110 1 6 0 0 0 111112 1 1 0 0 0 111113 1 0 0 0 0 111114 1 0 0 0 0 111115 1 6 0 0 0 116117 1 1 0 0 0 116118 1 1 0 0 0 116119 1 1 0 0 0 M END > Table09 $$$$ ACD/Labs0708041442 108 84 0 0 0 0 0 0 0 0 1 V2000 4.6668 -5.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 -4.3707 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -6.1647 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -6.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4098 -5.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4051 -4.4740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2404 -5.6528 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.8563 -5.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -5.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3078 -4.3801 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1431 -4.9577 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 13.4772 -5.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2057 -5.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2010 -4.4364 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.0363 -5.0141 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 17.3704 -6.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1178 -5.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1131 -4.3989 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 21.1510 -6.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0799 -6.1929 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 23.3629 -5.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3582 -4.4411 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 24.3961 -6.2351 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 24.4149 -4.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 -8.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 -7.3528 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5209 -9.1468 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -9.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 -7.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -8.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -7.4045 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0526 -8.5833 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.3867 -8.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -9.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 -8.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1199 -7.3106 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9552 -7.8882 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 13.2893 -7.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1199 -9.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0179 -8.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0132 -7.1415 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.8485 -7.7192 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 17.1826 -8.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0132 -9.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9299 -8.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9252 -7.1932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 20.9631 -8.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8920 -8.9872 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 20.4653 -8.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4616 -8.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4569 -7.1368 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 24.4948 -8.9308 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 24.5135 -7.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4237 -8.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -12.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -11.0505 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6516 -12.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5805 -12.8445 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 23.5117 -11.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5070 -10.5245 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 24.5449 -12.3185 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 22.4738 -12.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5455 -12.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5408 -11.0786 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5786 -12.8726 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12.8792 -11.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9553 -11.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9553 -10.5761 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.9506 -13.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6544 -11.9522 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.7414 -12.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7696 -11.0927 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7746 -12.8867 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.9719 -11.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1629 -11.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1582 -10.4212 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 20.3792 -11.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1817 -12.8585 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3527 -15.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -14.5645 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -16.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -16.3585 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -15.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8374 -15.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8656 -14.4001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8706 -16.1941 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.0678 -14.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9122 -16.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6790 -15.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6743 -14.2169 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7122 -16.0109 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 13.0127 -14.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7538 -15.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9338 -15.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9338 -14.0573 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.9292 -16.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6330 -15.4333 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 17.1314 -15.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4621 -15.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4574 -14.1136 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 24.4953 -15.9076 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 22.4242 -15.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0679 -14.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3387 -15.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3340 -14.1465 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 20.3437 -15.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3575 -16.3491 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 18.4135 -14.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 6 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 6 0 0 0 21 24 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 6 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 6 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 6 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 6 0 0 0 45 46 1 1 0 0 0 45 47 1 6 0 0 0 45 48 1 0 0 0 0 45 49 1 0 0 0 0 50 51 1 1 0 0 0 50 52 1 6 0 0 0 50 53 1 0 0 0 0 50 54 1 0 0 0 0 55 56 1 1 0 0 0 55 57 1 1 0 0 0 55 58 1 0 0 0 0 59 60 1 1 0 0 0 59 61 1 1 0 0 0 59 62 1 6 0 0 0 63 64 1 1 0 0 0 63 65 1 1 0 0 0 63 66 1 6 0 0 0 67 68 1 1 0 0 0 67 69 1 1 0 0 0 67 70 1 6 0 0 0 71 72 1 1 0 0 0 71 73 1 1 0 0 0 71 74 1 0 0 0 0 75 76 1 1 0 0 0 75 77 1 1 0 0 0 75 78 1 6 0 0 0 79 80 1 1 0 0 0 79 81 1 1 0 0 0 79 82 1 0 0 0 0 79 83 1 6 0 0 0 84 85 1 1 0 0 0 84 86 1 1 0 0 0 84 87 1 0 0 0 0 84 88 1 6 0 0 0 89 90 1 1 0 0 0 89 91 1 1 0 0 0 89 92 1 6 0 0 0 89 93 1 6 0 0 0 94 95 1 1 0 0 0 94 96 1 1 0 0 0 94 97 1 6 0 0 0 94 98 1 6 0 0 0 99100 1 1 0 0 0 99101 1 1 0 0 0 99102 1 6 0 0 0 99103 1 6 0 0 0 104105 1 1 0 0 0 104106 1 1 0 0 0 104107 1 6 0 0 0 104108 1 6 0 0 0 M END > Table10 $$$$