IBS-ZINC02236928 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.1180 1.4580 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.0660 -0.3560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5240 -0.3390 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -0.5950 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -2.0420 0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -2.3360 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -1.8140 2.5150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6410 -2.2030 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -2.2750 3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -0.3860 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -2.5900 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -3.9530 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -4.4440 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -5.8810 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -6.9270 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -8.1910 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -8.3750 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -7.3610 1.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -6.1320 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -4.9700 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -9.7410 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -10.6590 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -10.5780 1.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -9.3270 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -10.2090 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -12.1000 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -3.6130 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -2.3370 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -1.8290 -0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.6360 -1.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 1.8350 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.7310 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.8930 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.0940 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.4000 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -3.4130 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -1.8480 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.8860 3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -1.9030 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -3.3640 3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 0.0280 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -6.7570 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -10.1650 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -9.6490 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -9.2440 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -9.2740 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -9.1850 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -10.8650 3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -10.2560 4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -12.1560 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -12.7520 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -12.4180 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 -1.6860 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -0.3440 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 29 2 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 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 25 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 30 54 1 0 0 0 0 M END