IFLAB-ZINC04139675 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.5370 2.8070 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 1.3680 -0.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0110 1.3640 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 0.3090 0.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0970 -0.6460 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 0.0850 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -0.9250 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.8460 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 0.2190 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 1.1140 1.3570 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.5560 3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.1930 4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 0.1210 4.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 1.2490 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 0.9760 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 0.9940 -1.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -0.0730 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.7840 -1.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.1990 -3.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -1.1670 -4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -1.0880 -5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.0030 -6.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -3.0090 -6.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -3.0920 -5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.1800 -4.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -4.3360 -5.0570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 2.9460 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 3.4920 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 3.1270 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -1.6900 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -1.5360 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 0.5140 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -0.7720 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -1.4110 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -1.0460 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.6530 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 1.4480 3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 2.1290 4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 0.1250 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.8750 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 1.5320 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 0.4810 -4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -0.3120 -6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -1.9280 -7.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -3.7180 -7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -2.2790 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.6220 2.1320 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7040 1.4220 2.4490 H 0 0 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 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END