IBS-ZINC04075023 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0660 1.0770 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -0.2900 -0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.7630 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.0020 1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.5730 2.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -1.9070 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -2.6630 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -2.1110 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -2.7990 0.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -4.2030 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.5160 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -1.7900 5.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -2.4450 6.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -3.8330 6.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -4.5010 5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -3.8530 4.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -6.2740 5.0660 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -6.5440 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -8.0490 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -8.7220 3.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -4.5370 7.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -5.0700 8.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -1.6440 7.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -0.3140 7.5440 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -2.0400 8.8200 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -1.7150 7.8470 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 1.2840 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 1.2810 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.7370 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 1.0360 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 0.0500 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -3.6980 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -4.4270 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -4.5950 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -4.7010 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -0.7200 5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -6.2260 3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -6.0030 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -8.4440 2.5990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 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 36 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 21 22 3 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 39 -1 M END