IBS-ZINC06645516 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.0520 1.4170 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -0.0450 0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5830 -0.6680 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.1510 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.4410 2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -0.5220 -0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.8120 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.6950 -2.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -1.2790 -1.4370 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0100 -0.5240 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -2.6220 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -3.1140 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 -3.2160 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -1.9480 -2.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -1.3860 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -0.9640 -3.2980 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 0.0370 -4.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -1.8030 -3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 -0.1170 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 1.1070 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 1.7810 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5030 1.2350 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1520 0.0300 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8960 -0.6510 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7540 1.8870 1.7350 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 1.7750 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 1.5640 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 2.0580 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -0.6360 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 -3.3670 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -2.5320 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -4.0940 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -2.4300 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -4.0030 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 -3.5190 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -0.4040 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -2.0400 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 1.5360 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 2.7250 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8570 -0.3670 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4110 -1.5870 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 0.0500 1.8020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 1 42 -1 M END