IBS-ZINC06661838 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.5840 1.5300 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 0.0520 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.6070 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -1.9810 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.6980 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -2.0440 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -0.6720 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.8530 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -4.0460 -2.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.2030 -3.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -2.8840 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -1.8730 -6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.6900 -5.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.3440 -7.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -1.3940 -8.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -1.8240 -9.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -3.2790 -9.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -4.2250 -8.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -3.7360 -7.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -3.7180 -10.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -4.3130 -11.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -4.5530 -12.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -4.9760 -13.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -4.1060 -11.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -3.5980 -10.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -4.6020 -12.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -4.5370 -11.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -2.6870 2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 2.0770 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 1.7980 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.8500 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.0460 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -3.7700 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -0.1540 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -1.2270 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -3.6400 -4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -3.3570 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -1.3450 -8.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -0.3850 -8.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -1.1310 -10.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -1.7230 -8.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -5.2430 -8.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -4.3070 -8.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -4.3940 -6.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -3.7880 -8.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -4.1770 -11.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -3.8540 -13.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -5.5880 -13.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -4.4430 -12.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -5.4180 -11.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -3.0410 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -3.5440 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -2.0190 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -3.3230 -10.7750 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1350 -3.2330 -10.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -2.4950 -11.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 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 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 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 20 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 54 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 54 1 M END