IBS-ZINC04981706 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -0.0400 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.0270 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -2.5700 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -4.0800 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -4.7420 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -4.0760 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -5.0470 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -6.2060 0.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -6.0400 0.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -6.7480 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 -4.8180 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -3.6940 -0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -5.8530 -0.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 -5.6360 -1.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1300 -6.6340 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4880 -6.4050 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4530 -7.3440 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5780 -6.7520 -2.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3990 -7.2190 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3800 -5.3950 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0720 -5.1130 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5960 -3.8040 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4150 -2.7900 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7090 -3.0660 -3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1900 -4.3570 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -2.5940 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 1.0500 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -0.4180 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.4010 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.3780 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -0.4040 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 1.0630 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -2.0540 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -2.3730 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -4.2680 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.4740 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -6.7490 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 -7.6320 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3440 -8.4000 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5890 -3.5860 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0490 -1.7740 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3420 -2.2630 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1990 -4.5610 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.1040 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -2.4000 -0.9490 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 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END