IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.0660 1.6950 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 1.9690 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 2.5790 -2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.7190 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 1.1610 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 1.4990 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 1.2500 0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 2.1080 -1.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 2.0560 -2.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7560 3.0640 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 1.0290 -3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 1.2820 -4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 0.3580 -5.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -0.8330 -5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -1.1020 -4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -0.1830 -3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 2.7290 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 2.8440 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 3.4870 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6250 4.0310 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 3.9110 -4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 3.2740 -3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 4.7310 -4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8380 4.8890 -3.8040 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6850 0.5170 0.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 0.8790 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 2.5860 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.4320 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 2.2070 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 0.5710 -6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -1.5510 -6.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -2.0270 -4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -0.4270 -2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 2.4580 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 3.5660 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 4.3230 -5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 3.2250 -4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 2.6580 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5910 5.1090 -5.6800 O 0 0 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 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 39 2 0 0 0 0 M CHG 1 24 -1 M END