IBS-ZINC03764957 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.2590 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.1690 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.7710 0.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -0.8320 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -0.1510 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.7780 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -2.0940 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -2.7740 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -2.1530 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.8360 -0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.1240 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -4.7170 0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -4.8270 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -6.5360 0.6910 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -7.2070 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -8.6450 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -9.1640 1.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -9.3490 1.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -10.7280 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -2.4760 -0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -1.2550 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -0.3440 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.5780 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 1.8990 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.3340 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.8640 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -3.7890 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -2.3850 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -4.8300 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -4.3070 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -7.1500 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -6.6270 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 -10.7580 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -11.2810 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -11.1810 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 -0.8850 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 -1.4070 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END