IBS-ZINC01160461 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 0.7220 2.4240 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.1530 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 0.2350 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -0.9930 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -2.0200 -1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -1.8180 -2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -0.6000 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 0.4250 -2.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -2.9290 -3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -4.0740 -3.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -2.5370 -4.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 -3.2880 -6.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -4.9500 -6.1900 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -2.4100 -7.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -2.6220 -8.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -1.5990 -9.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -1.7020 -10.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 -2.8210 -10.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -3.8400 -9.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 -3.7330 -8.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 -5.2960 -9.6820 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2630 -2.8590 -11.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -3.1120 -11.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4570 2.9340 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 2.3350 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 3.0370 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -1.1520 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -2.9700 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -0.4330 -4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 1.3560 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -1.5580 -4.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -1.4580 -6.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -0.7100 -9.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -0.9000 -11.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -4.5280 -7.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -2.5840 -12.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 2 0 0 0 0 M CHG 1 23 -1 M END