IBS-ZINC02232245 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 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 11.0770 -0.6660 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3370 -2.0140 3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4220 -2.7700 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6810 -4.1180 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7660 -4.8730 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0220 -6.2010 2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4000 -6.5120 3.8860 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 5.7890 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 10.7460 -0.8310 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9950 -0.0790 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6670 -1.8490 4.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4180 -2.6010 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0910 -2.9340 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3400 -2.1820 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0120 -3.9530 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7630 -4.7050 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4360 -5.0380 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6840 -4.2860 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9400 -7.0390 2.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0690 -7.8800 2.8530 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 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 34 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 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 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 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 58 59 1 0 0 0 0 M END