IBS-ZINC05343159 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 0 0 0 0 0 0999 V2000 -0.1260 1.7260 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.2000 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -0.3550 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -0.6340 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -1.1430 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -1.3740 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -1.0970 3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.5800 2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -0.2920 2.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 0.9360 2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 1.7620 3.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 1.2980 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 2.5730 3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 2.8750 3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 1.9250 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 0.6590 2.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 0.3360 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.0050 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -1.9880 2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 -1.6500 1.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 -2.6850 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -2.0420 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2140 -3.1230 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5740 -3.4670 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8640 -2.7670 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6800 -2.2140 -1.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6050 -1.2730 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3030 -1.9580 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -1.2550 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -2.3470 1.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 2.1220 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 2.1270 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 2.0150 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.1970 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.0900 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -0.4560 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -1.3610 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -1.7720 4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -1.2780 4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 3.3190 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1250 3.8610 3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 2.1790 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2030 -0.0770 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -3.0290 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0330 -0.7240 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -3.4170 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 -3.1810 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4860 -1.3100 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 -1.5460 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8730 -3.8550 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3900 -3.6190 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6900 -3.8410 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3650 -4.2990 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6800 -3.4900 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1020 -1.9700 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5110 -0.9150 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8070 -0.4320 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0730 -2.7650 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4910 -1.2300 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4620 -2.5060 0.3430 N 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 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 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 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 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 M END