IBS-ZINC02127846 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1990 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0100 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4150 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 2.1290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 3.3440 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 1.3980 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 0.0560 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -0.5530 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.6420 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -1.6120 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 2.0830 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 2.3140 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 3.0300 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 3.2610 2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7300 3.9760 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 4.2040 4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 3.8310 5.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3600 4.8230 4.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2910 5.3260 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1000 6.4400 4.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2600 5.8490 5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9210 5.1130 5.8030 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2350 5.7470 6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 3.8260 6.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8960 2.7680 6.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.7720 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 1.4690 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 3.0420 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 2.9280 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 1.3550 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 2.4160 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 3.9890 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6450 3.8750 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 2.3020 3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 3.3620 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6310 4.9360 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9560 4.5280 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7380 5.7370 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0710 6.5810 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5390 7.3740 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0980 5.1520 5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3860 6.6440 6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 3.8570 7.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8120 3.0060 8.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 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 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 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 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 49 50 1 0 0 0 0 M END