IBS-ZINC04957055 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.1010 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5450 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.6650 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -2.0230 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -4.1710 0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6010 -4.5800 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -4.6920 1.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1230 -5.4430 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -5.3320 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -5.8200 -0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -4.6230 -0.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -4.3370 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -5.4480 -3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -5.1530 -4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -4.4100 -5.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -4.1390 -6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -4.6120 -7.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -5.3560 -6.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -5.6300 -5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -6.0180 2.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -5.6190 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -6.2110 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -5.8060 3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -6.6660 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -6.8360 5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -6.1590 6.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -5.3060 5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -5.1210 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1800 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0300 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -2.4300 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -2.6000 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -4.2860 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -3.3830 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -5.4980 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -6.4020 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -4.0400 -4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -3.5580 -7.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -4.4000 -8.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -5.7250 -7.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -6.2140 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -3.8610 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -7.1950 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -7.4990 5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -6.2970 7.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -4.7820 6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -4.4520 3.9450 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 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 24 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 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 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 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 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 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END