MMs02098872 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 -1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 -2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 -2.5298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -2.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 -0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.1027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7556 -2.9624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7163 -3.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7473 -4.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 -4.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0597 -3.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1847 -2.5068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 -1.0827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0801 -1.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -0.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1274 0.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 1.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6012 2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0702 3.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0677 2.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5963 0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5415 4.6133 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7571 -1.2784 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 1.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -3.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -3.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 -4.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 -5.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6772 -6.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2073 -5.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9470 -4.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9559 -2.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9547 1.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8032 3.7817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2428 2.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 -0.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END