IBS-ZINC05462151 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 -3.1610 -1.6250 4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -0.4830 3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 0.7980 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 1.4580 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 0.5850 1.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -0.6060 2.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 0.8030 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 1.7230 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.3680 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 2.2210 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 3.4350 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 3.7950 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 2.9430 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 2.8230 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 1.3510 4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 0.6460 5.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 1.2640 6.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 0.5760 7.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 1.0080 8.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 1.9160 9.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 0.0290 9.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 0.0040 11.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -1.1820 11.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -2.2730 11.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 -2.2320 10.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -1.0520 9.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -1.9390 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -2.4900 3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -1.3450 5.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 1.1970 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -0.1680 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.4220 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 1.9380 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 4.0980 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 4.7400 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 3.2430 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 2.8330 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 3.2050 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 3.5170 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 2.3760 4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 2.2090 6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8170 0.8460 11.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -1.2660 12.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -3.1720 11.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -3.0630 9.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -0.6590 8.0730 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4170 -1.1930 7.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 46 2 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END