IBS-ZINC04957055 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -1.1790 2.2340 1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 0.8970 0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 0.0510 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 0.4980 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -0.3640 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -1.6720 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -2.1200 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -1.2600 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -3.5460 0.3400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0870 -3.6660 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -4.4820 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -5.3270 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -4.9400 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -5.4730 -0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -3.9130 -0.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -3.2650 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -3.9700 -2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -3.3030 -4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -2.2510 -4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -1.6390 -5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5150 -2.0800 -6.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 -3.1320 -5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -3.7470 -4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -6.2220 2.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -4.5040 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -5.3140 3.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -3.6410 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -2.8640 3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -2.0600 3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -2.0190 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -2.7850 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -3.6000 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 2.8020 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 2.7040 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 2.2150 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.5190 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 -0.0160 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -2.3440 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.6090 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -3.3280 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -2.2180 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -3.9070 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -5.0160 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -1.9070 -4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -0.8170 -6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 -1.6010 -7.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1310 -3.4760 -6.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 -4.5710 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -5.2600 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.8940 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.4600 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -1.3870 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -2.7480 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -4.2000 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END