IBS-ZINC05111220 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.5220 1.2520 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -0.1540 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -0.4090 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.6830 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.8450 1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.3600 3.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -0.9160 3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -1.1390 4.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -1.9570 3.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -1.7840 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -2.7370 0.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -3.2560 3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -3.6800 4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.9600 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -5.8200 4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -5.4010 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -4.1240 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -7.4290 5.2140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -1.1650 -0.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -1.1210 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.1210 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -0.0730 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -1.0170 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -2.0250 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -2.0700 -2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -3.0370 -4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -3.9130 -4.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 1.6490 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 1.2450 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 1.8780 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 1.0670 4.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -3.0080 4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -5.2900 5.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -6.0740 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -3.7980 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.9220 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 0.6210 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 0.7060 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 -0.9760 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -2.8450 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -2.9880 -4.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -3.6720 -5.4880 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 19 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 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 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M END