IBS-ZINC04860606 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.9970 0.3850 -4.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -0.1420 -3.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -0.7510 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -1.2840 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -1.9030 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -1.9920 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -1.4580 -2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -0.8350 -3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -2.6200 -1.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -1.9210 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -0.7270 -1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -2.6960 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5210 -2.2520 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 -0.8100 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0560 -0.3330 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3160 1.0200 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3460 1.9070 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 1.4440 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 0.0930 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 3.3590 0.3350 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.7210 3.7700 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7820 4.1430 0.7150 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6670 -4.3490 -0.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -3.9330 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -5.0050 -1.1730 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 0.8430 -5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.4220 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 1.1350 -4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -1.2160 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -2.3180 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -1.5270 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -0.4160 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2760 -2.9570 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8140 -1.0240 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2790 1.3900 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 2.1430 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 -0.2670 1.0370 H 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END