IBS-ZINC06659817 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 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 7.8510 3.1380 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3140 3.3700 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 2.0210 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 1.1970 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 0.9660 2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6430 1.2770 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1470 1.7760 1.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0380 0.0570 3.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0200 -0.6260 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6550 -0.1640 1.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.6880 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5600 -1.1360 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4730 -1.2390 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2530 -2.3700 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1310 -3.4070 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 -3.3220 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4320 -2.1830 1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4810 -1.8090 2.7810 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 5.7890 2.8520 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 2.6000 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 4.0990 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2330 3.9570 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 3.9080 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 2.1860 4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4700 0.2370 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 1.7350 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 0.3790 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5940 0.4280 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 -0.3420 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5730 -0.4350 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9640 -2.4500 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7470 -4.2880 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1400 -4.1330 2.4580 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 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 37 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 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 33 2 0 0 0 0 25 26 1 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 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 M END