IBS-ZINC04089629 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -1.1880 -2.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -0.6550 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -0.3650 2.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -1.1770 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -0.5100 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -1.2430 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 -1.7730 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -3.1720 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -3.8400 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -3.1060 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -2.5770 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 -3.7020 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8670 -5.0860 1.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0310 -5.7620 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0670 -5.2230 1.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0440 -7.1850 0.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1830 -7.7180 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 -7.1960 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8700 -8.6390 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7960 -8.6520 -2.8490 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -10.4180 -3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.7430 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -1.9100 3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -0.2460 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -1.8200 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -1.1060 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -4.1030 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 -2.4390 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -2.5290 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 -3.2440 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2460 -3.6660 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4730 -3.0860 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 -5.5170 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8860 -6.7420 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 -6.6290 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 -9.0930 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7400 -9.2060 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7680 -10.8280 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5430 -10.9400 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6150 -10.5480 -4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3140 -7.9090 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.1470 -1.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2800 -7.8460 1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0930 -7.3700 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -0.4830 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 50 1 0 0 0 0 6 7 1 0 0 0 0 6 30 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 16 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 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 23 1 0 0 0 0 21 51 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 49 51 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M END