IBS-ZINC06661521 MOE2007 3D Structure written by MMmdl. 51 51 0 0 1 0 0 0 0 0999 V2000 1.5760 1.9470 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 1.2560 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 1.6650 3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.5800 1.3970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9030 2.6630 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 1.2790 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.6390 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 1.7460 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.4670 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 1.8140 -6.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 1.3960 -8.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 2.2800 -7.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 0.8550 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -0.5470 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -1.1910 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -0.4380 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 0.9540 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.5980 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -1.2310 1.7720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 3.0260 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 1.7960 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 1.5390 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 0.1750 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 2.7330 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 1.1030 4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 1.4650 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.2220 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 1.8610 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 1.0100 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 2.6960 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 1.1290 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 2.8050 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 2.0550 -4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.4090 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 1.2530 -6.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 2.8850 -6.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 2.4050 -8.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 1.0510 -9.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 0.6910 -8.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 2.1590 -6.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 1.9290 -8.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 3.3200 -7.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.1540 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -2.2780 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 1.5430 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 2.6850 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 1.4060 -2.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1760 0.4180 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 1.9580 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.4220 -7.3980 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4560 0.4560 -7.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 50 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 50 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 47 1 M CHG 1 50 1 M END