IBS-ZINC05034222 MOE2007 3D Structure written by MMmdl. 46 48 0 0 0 0 0 0 0 0999 V2000 0.8320 3.7200 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.2360 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 1.3740 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.0050 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -0.5470 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.3200 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 1.6990 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -2.0350 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.5860 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -3.1940 -3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -4.5880 -3.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -4.6390 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -4.0730 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -5.1680 -4.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -6.3550 -4.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -7.1530 -5.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -8.4240 -5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -9.1960 -6.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -8.6980 -7.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -7.4280 -7.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -6.6500 -6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -6.8140 -9.5590 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 4.1520 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 4.1940 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 3.9570 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.7730 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -0.6470 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -0.0630 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 2.3540 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -2.2510 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -2.5590 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -3.1270 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -1.5350 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -2.5740 -4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -3.1700 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -4.0950 -3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 -5.6810 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.0510 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -4.6560 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -6.8120 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -8.8270 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -10.1860 -6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -9.3030 -8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -5.6610 -7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.6480 -1.4790 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9320 -2.0920 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END