IBS-ZINC04042899 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.8320 2.0270 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 1.8970 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 2.7100 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 0.7540 -2.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7640 0.5850 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 0.8000 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 0.7410 -2.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 1.0680 -4.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 1.0690 -3.7220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9850 0.3040 -4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 2.4240 -4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 3.5680 -3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 4.8110 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 4.9110 -4.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 3.7600 -4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 2.5200 -4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 6.1670 -4.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 7.3810 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 6.2710 -5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 1.3260 -5.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 2.8000 -5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 3.0400 -6.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 4.5130 -6.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 4.7530 -8.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 6.2040 -8.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 6.9680 -7.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 0.3270 -0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 1.2090 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 2.9780 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 1.9890 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 3.4890 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 5.7050 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 3.8340 -5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.6240 -5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 7.7010 -3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 8.1700 -5.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 7.1740 -4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 5.2740 -5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 6.8700 -6.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 6.7460 -4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 1.0940 -6.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 0.7000 -5.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 3.0560 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 3.4220 -5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 2.7830 -7.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 2.4170 -6.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 4.7700 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 5.1350 -6.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 4.4970 -9.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 4.1310 -8.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -0.1680 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7770 6.6480 -9.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 7.5870 -9.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 27 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 20 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 52 53 1 0 0 0 0 M END