IBS-ZINC00112207 MOE2007 3D Structure written by MMmdl. 44 47 0 0 0 0 0 0 0 0999 V2000 7.5500 1.9920 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 3.4510 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 4.5130 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 4.0410 0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 3.4310 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 2.3830 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 4.3900 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 3.4800 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 2.0790 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 1.2670 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 1.8350 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 3.2050 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 4.0310 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 5.3220 0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 6.1060 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 5.6840 -0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 7.5270 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 8.4270 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 9.7740 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 10.2470 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 9.3850 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 8.0410 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 11.9010 -1.4460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 2.4900 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 1.7240 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 1.1110 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 2.5760 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 3.8690 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 4.7520 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 5.4320 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 4.2260 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 2.9740 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 1.5050 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 2.0730 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 1.6040 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 0.1980 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 1.2160 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 3.6370 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 8.0840 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 10.4400 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 9.7460 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 7.3880 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 2.9620 -0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9020 3.7800 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 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 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END