IBS-ZINC06658924 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 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 11.7800 5.0320 5.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 4.6560 6.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2330 4.2030 6.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8410 5.0410 7.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6660 4.9340 9.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6270 5.4330 10.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7680 6.0410 9.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9580 6.1560 8.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9950 5.6560 7.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9000 5.6140 6.1220 N 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 11.9110 5.1210 3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7800 4.4620 9.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4890 5.3490 11.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5130 6.4270 10.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8490 6.6310 7.9730 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 35 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 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 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 44 1 0 0 0 0 18 45 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 46 1 0 0 0 0 22 23 1 0 0 0 0 22 31 2 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 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 M END