IBS-ZINC04041691 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.4690 0.4510 -2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -0.6470 -1.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -1.2790 -1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.8480 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -1.4860 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -2.5560 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -2.9980 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -2.3540 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -4.1380 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -4.8320 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8060 -6.1830 -0.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5170 -6.2100 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -7.2140 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -6.6800 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -7.3200 2.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -5.1960 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -4.4340 2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -8.5790 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -9.0390 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -10.3980 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -11.2530 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -10.7260 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -9.4270 0.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -6.3970 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -7.2040 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -7.4010 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -6.7900 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -5.9820 -2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -5.7870 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -4.9970 -3.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 -4.4020 -4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -4.5190 0.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 0.8640 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 0.1060 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 1.2210 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.0120 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -1.1460 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -3.0510 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -2.6920 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -8.3450 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -10.7840 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -12.3180 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -11.3880 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -7.6820 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -8.0320 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -6.9460 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -5.5050 -3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -3.7980 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -3.7690 -4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -5.1850 -5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 -4.2000 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 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 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 32 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M END