IFLAB-ZINC04371745 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 -0.8490 0.9570 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.4630 0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.9650 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.1060 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -0.6150 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -1.9870 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -2.8450 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -2.3350 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -4.3070 2.4400 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7480 -5.0600 1.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -4.7570 3.3190 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5390 -2.5030 4.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -1.7800 5.7200 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -2.6200 6.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -0.4320 5.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -1.8730 6.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 1.4200 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 1.2230 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 1.3110 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 0.9600 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 0.0540 3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -3.0030 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -3.2850 4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.9170 6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -1.4150 7.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.3440 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 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 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END