IBS-ZINC05026876 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.5120 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 0.1120 0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -0.4950 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.2410 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -0.3770 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -1.7300 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -2.4700 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -1.8580 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.5860 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -3.9800 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -2.3990 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -2.9130 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 -3.5640 -1.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8840 -2.8280 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8090 -1.6370 -1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1910 -3.5060 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3720 -2.8170 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5370 -3.4890 -1.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8010 -2.7540 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9620 -3.7470 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0490 -4.4960 -0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1840 -4.9500 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2230 -5.5780 -0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9940 -5.5560 -0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 -4.8770 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -5.4840 -0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 1.8690 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.6900 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 2.0450 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 1.2980 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 0.1980 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -3.5270 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -4.1070 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -4.4540 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -4.4410 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -3.2350 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 -1.6800 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -2.0770 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -3.6320 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3620 -1.7400 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5380 -4.4590 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9270 -2.1320 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7890 -2.1230 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8930 -3.2030 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7900 -4.4270 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7650 -5.1460 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9710 -6.5060 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 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 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 M END