IBS-ZINC06764631 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0110 1.3480 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0180 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.4920 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 0.5070 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 1.6180 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -1.8230 -0.1050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1640 -2.5400 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -2.3240 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -3.6420 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -3.9830 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -5.1960 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -6.0230 0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -5.6300 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -4.4480 2.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -6.4520 3.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -7.7330 3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -7.8860 4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -6.2280 5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -6.0930 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 -7.8910 6.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -8.3850 7.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -9.1520 7.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -9.5720 7.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -3.1040 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -3.4400 -2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -1.7710 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 2.0500 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -0.5880 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 2.5030 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -1.6090 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -2.4320 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -5.5620 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -8.5390 3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -7.8680 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -8.9090 4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -7.1760 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -5.5010 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -6.0990 6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -5.0720 4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -6.7640 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -6.9970 7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1430 -8.6970 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -9.0120 8.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -7.5500 8.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -1.5090 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -1.0170 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -7.6090 5.6780 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8930 -8.3110 5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 47 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 20 47 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 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END