IBS-ZINC06665105 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.2330 1.5770 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.0580 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -0.4190 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -1.9310 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -2.6410 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -4.0080 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -4.3750 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -2.9470 2.9810 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -5.7350 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -6.0700 3.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -6.6420 1.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -6.2840 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -7.1600 -0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -5.0050 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -4.7830 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -8.0010 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -8.7730 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -10.1120 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -10.6840 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -9.9180 3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -8.5770 2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -1.9640 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.5700 -0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -0.3210 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 2.0540 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 1.9140 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 1.8450 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.1290 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 0.0230 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -8.3260 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -10.7130 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -11.7320 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -10.3680 3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -7.9780 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -2.1000 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -2.3980 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 0.1550 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.4030 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0160 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 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 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END