IBS-ZINC02396563 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -2.7390 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -3.1770 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -3.2090 -4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.7680 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -2.6990 -4.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -3.0340 -5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -2.9640 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -3.3060 -7.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -3.7290 -7.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.8100 -7.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -3.4640 -6.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -3.5320 -5.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 -3.5350 -4.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -4.6820 -4.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -2.5950 -4.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -2.9530 -5.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 -1.7120 -5.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6140 -2.0810 -6.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7870 -2.5020 -7.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0460 -2.8400 -8.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1380 -2.7580 -7.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9610 -2.3350 -6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7010 -1.9930 -5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3770 -3.0910 -7.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4540 -2.9820 -6.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -2.5720 -1.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -2.6390 -5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -3.2510 -7.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -3.9960 -8.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -4.1390 -8.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -1.6810 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 -3.3410 -4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 -3.7150 -6.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 -1.3240 -6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -0.9500 -5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 -2.5660 -8.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1810 -3.1690 -9.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 -2.2700 -5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5640 -1.6590 -4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5340 -1.9500 -6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2640 -3.6350 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3850 -3.2760 -7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -2.2620 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -2.7640 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END