IBS-ZINC04114989 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.1290 1.5530 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 0.1290 -0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.5330 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -1.9200 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.5940 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -1.8830 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -0.4870 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 0.1770 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -2.6000 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 -3.8090 -0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -1.8320 -0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8750 -1.5680 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2020 -2.2440 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9850 -2.2400 -2.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4170 -2.8580 -0.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2870 -2.6810 0.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8620 -3.6510 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -1.9650 1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 -2.5830 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0220 -1.9160 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 -0.6460 4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6650 -0.0920 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2520 -0.7540 1.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6300 -3.6120 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4400 -5.0790 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7080 -5.8660 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5260 -7.2700 -0.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0220 -8.2640 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0300 -9.3920 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5240 -9.0950 -1.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8290 -7.8270 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -0.9330 -2.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 1.9560 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.9600 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.8300 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.4670 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -3.6710 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 0.0660 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 1.2540 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1800 -3.5740 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9300 -2.3740 5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8980 -0.0970 5.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 0.8970 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8240 -3.5430 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4750 -3.1960 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2470 -5.1470 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5960 -5.4950 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9010 -5.7970 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5520 -5.4490 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6830 -8.1630 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6960 -10.3660 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2520 -7.3080 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -0.8970 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 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 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 32 2 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 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 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 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 31 52 1 0 0 0 0 M END