IBS-ZINC06658990 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0370 1.4970 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0330 -0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0130 -0.4240 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.5140 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.1840 -1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.1980 -2.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.6650 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.1800 -4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 1.0390 -5.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.4520 -6.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.7000 -7.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -0.4640 -6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -0.9440 -5.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.5050 1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.6540 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.3970 2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.1390 3.5780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2280 -2.1220 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -0.1230 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -0.1710 5.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.2600 6.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.7600 5.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -1.1600 4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.9680 7.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.4770 7.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -1.6820 8.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -1.3780 9.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -0.8690 9.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -0.6700 8.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -1.5800 11.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -1.2460 12.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 1.8870 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 1.8480 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8440 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 0.3380 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.2750 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -1.7550 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.6590 -5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 2.4000 -7.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -1.0520 -7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.9010 -5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -0.7100 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.4250 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 0.8770 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.4490 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.1640 4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -1.7130 6.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -2.0780 9.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -0.6320 10.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -0.2780 8.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -1.8410 12.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -0.1870 12.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.4540 13.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END