IBS-ZINC05215450 MOE2007 3D Structure written by MMmdl. 54 57 0 0 0 0 0 0 0 0999 V2000 1.4710 7.4780 7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 8.4690 8.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 8.4420 8.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 7.4320 7.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 6.4410 7.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 6.4540 6.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 5.4150 5.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 5.1490 4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 4.2270 3.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 3.4850 4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 3.6410 5.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 4.6410 6.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 4.8090 7.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 2.8600 5.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 1.9150 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 1.7700 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 2.5560 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 2.3640 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 1.4840 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 1.2000 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 3.0490 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 3.3880 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 2.0630 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 3.3060 -3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 4.0970 -4.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 3.9740 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 0.8640 2.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 9.6610 9.4710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 7.5110 6.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 9.2520 8.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 7.4050 8.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 5.6530 6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 5.6580 4.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 2.9840 6.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 1.3150 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 1.4740 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 3.2170 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 0.5500 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 2.1630 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 0.7750 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 0.4370 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 3.9860 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 2.3950 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 4.1160 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 3.7830 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 1.4400 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 1.4790 -2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 3.0170 -4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 3.9220 -3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 0.3200 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 2.1370 0.6210 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5900 1.4680 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 2.4150 -2.0910 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2950 3.0840 -2.4730 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 51 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 53 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 51 1 M CHG 1 53 1 M END