IBS-ZINC05218692 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -2.5580 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -3.9050 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -4.4520 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -5.8130 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -6.6530 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -6.0980 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -4.7350 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -8.1110 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -8.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -9.0130 -0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8410 -9.4380 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -10.9230 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -11.6060 2.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -11.4040 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -10.3300 -0.7480 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5570 -10.3190 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -10.5240 -1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -10.2260 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -10.4160 -4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -10.8760 -4.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -11.1700 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -11.0000 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -12.8250 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -13.1980 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -12.5000 -0.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -12.7790 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -8.7170 2.2960 O 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 0.5120 -0.3560 -0.8950 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 -3.8030 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -6.2360 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -6.7410 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -4.3060 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -9.8500 -3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -10.1860 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -11.5450 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -11.2390 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -13.0200 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -13.4230 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -14.2720 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -12.9210 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -12.2110 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4350 -13.8440 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5490 -12.4930 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -8.5120 -0.5020 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 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 31 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END