IBS-ZINC03985165 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 1.3940 0.3020 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.9750 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -1.0560 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -2.3450 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -2.4330 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -1.8760 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -2.3530 -0.6610 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4440 -2.2640 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -1.7190 1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -2.7820 1.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -2.9910 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -2.9810 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -3.7470 2.2490 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 -1.6200 -1.5260 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8220 -1.4240 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4990 -2.3640 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7640 -1.8180 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7090 -2.8530 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1150 -2.9210 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7580 -4.1370 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0050 -5.2760 -2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6040 -5.2320 -2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9840 -4.0090 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6450 -3.6820 -2.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9030 -4.3400 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1250 -4.0680 -2.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8410 -5.2730 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9820 -0.3790 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 0.4370 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -1.0800 -1.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 0.3390 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 1.1860 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 0.3560 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -1.0130 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -1.8380 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.0040 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.1860 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -2.3740 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -3.2190 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7080 -2.0370 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4780 -6.2290 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0260 -6.1240 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6580 -5.6450 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6010 -6.0320 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9090 -5.0490 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8200 0.0260 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2390 -0.2890 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5250 0.5340 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 1.4330 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -3.4210 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -0.2440 -0.9400 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6930 -0.3800 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 0.3620 -1.0320 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 30 2 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 50 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 28 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 51 1 M END