IBS-ZINC04729856 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 64 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.7090 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4910 -1.7800 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -0.3690 1.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3730 0.7050 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -1.1690 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -2.6670 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -3.0430 1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 -2.2440 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -0.7540 1.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3260 0.0580 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 0.9250 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 1.9710 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.6500 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 2.3260 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 1.3130 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 0.6190 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 -0.3700 2.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 -0.0430 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 -0.3900 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -0.4570 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -0.1330 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 0.1380 -3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 0.1540 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8730 0.3070 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 0.5440 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9390 0.6000 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 0.3900 -4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -0.9060 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -0.9210 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -3.2120 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -2.9620 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 -2.8140 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -4.1090 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 -2.5020 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 -2.4760 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 2.2560 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4820 3.4500 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0630 2.8710 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 1.0740 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.4680 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 0.2260 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -0.9690 -4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 0.7460 -4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 0.2120 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6610 0.6840 -3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 0.8100 -5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 0.4230 -5.8870 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END