IBS-ZINC06703155 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.8470 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 4.2690 -0.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 4.2340 -0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 4.3300 1.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 4.5970 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 4.3960 3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 4.9710 3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 4.5680 2.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6310 3.6570 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 5.6800 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 6.2280 0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 6.0680 2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 7.1490 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 7.3890 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 8.5190 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0100 9.6560 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2540 9.8210 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 10.2990 4.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 9.4400 5.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 9.2710 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.4150 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -0.4970 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 3.8910 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 5.6210 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 3.3390 4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 4.9650 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 4.5160 4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 6.0560 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 5.6300 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 8.0600 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 6.8720 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 6.4780 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 7.6670 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 9.4300 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 8.2410 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 9.2380 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5390 10.6280 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9330 10.5370 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7560 8.8590 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 9.8800 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 8.4670 5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 10.2360 4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 8.5720 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 8.7490 2.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 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 43 1 0 0 0 0 21 44 1 0 0 0 0 21 53 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 22 53 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 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 M END