IFLAB-ZINC04139220 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.1020 2.3440 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 0.8290 -0.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8630 0.5900 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -0.0280 -0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7250 -1.0800 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 0.0860 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -0.7860 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -0.3800 -3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 0.7850 -3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 1.3840 -1.7260 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -0.7800 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -0.4370 2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -0.4250 3.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 0.5630 3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 0.2910 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.4440 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -0.7490 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -1.6310 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -0.9300 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.0780 -3.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -2.0690 -2.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -2.4250 -3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 -2.0120 -3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -2.9160 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0990 -2.5250 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 -1.2260 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 -0.3110 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -0.7030 -3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1270 -0.7470 -1.9350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 2.8530 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 2.6940 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 2.6800 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -1.6770 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -0.9160 -4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 1.3140 -3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -1.7570 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -0.7650 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 0.5340 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -1.1940 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 1.5570 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 0.5330 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 1.0950 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.6800 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 1.0590 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -2.6720 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 -3.5100 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -1.9630 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -3.9340 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7680 -3.2380 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 0.7040 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 0.0180 -3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 0.2530 1.1250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3530 1.1710 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 52 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 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END