COMGENEX-ZINC06777245 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.1680 -0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7120 1.5740 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 3.3860 -0.0160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1860 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1180 -2.5550 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.7190 -0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -3.7280 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -4.2250 -0.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -4.2240 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -2.8440 1.6920 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -2.1530 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.8820 -3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -3.7850 -2.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -2.5310 -4.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -3.2280 -5.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -3.6490 -6.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -2.5120 -6.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -1.9470 -5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -1.4430 -4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -4.3660 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -5.1450 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.2620 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -1.0960 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -2.5590 -6.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -4.1110 -5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -4.0440 -7.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -4.4170 -5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -1.1170 -5.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -2.7090 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -1.1440 -3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -0.5910 -5.0210 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 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 25 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END