CHEMBRIDGE-ZINC04784453 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 -0.4050 2.5000 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.0190 -0.8610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5060 0.6760 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.8330 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 0.1240 0.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.2410 -1.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.7080 -2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.9760 -2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -1.4140 -3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -2.4210 -4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -3.0520 -4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -3.3940 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -3.9860 -5.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -4.2430 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -3.9080 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -3.3190 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -4.1640 -1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -0.6420 -3.1000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 0.4890 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 1.6720 -1.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 2.8430 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.6340 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 3.0790 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.7600 -4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -3.1940 -6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -4.2490 -6.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -4.7070 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -3.0620 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -5.0360 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.4560 1.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 1.3060 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 30 31 1 0 0 0 0 M END