IBS-ZINC05051991 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0590 1.0500 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 0.9270 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 2.9280 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 3.4280 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 4.8870 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 5.8540 -0.6290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9580 5.7200 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 7.2230 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 7.0290 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 5.5780 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 5.0820 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 8.0080 0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 8.5130 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 9.2580 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 8.9090 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 8.1110 -3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 8.4830 -4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 9.6450 -4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 10.4440 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 10.0840 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 11.5840 -4.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 11.8980 -5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 5.6820 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 5.6080 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 5.4500 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 5.3680 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 5.4430 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 5.6060 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 5.1700 1.6380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.0380 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 1.4190 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.4630 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 1.3490 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.1580 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 1.1900 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 3.3730 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 3.2130 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.1440 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 2.9840 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 7.6830 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 7.2030 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 7.8660 -5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 9.9310 -5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 10.7070 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 12.0090 -5.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 12.8300 -5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 11.0950 -6.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 5.6720 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 5.3920 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 5.3780 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 5.6690 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 1.4650 1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 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 3 52 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 40 1 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 15 20 2 0 0 0 0 16 17 2 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 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END