KEYORGANICS-ZINC01393448 MOE2007 3D Structure written by MMmdl. 48 51 0 0 0 0 0 0 0 0999 V2000 1.1320 1.5150 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 1.4500 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.4590 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 2.6260 -1.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 2.8520 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 2.8610 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 3.3400 -2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 4.7290 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 5.2920 -3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 4.5390 -4.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 3.2130 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 2.5990 -3.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 2.3760 -5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 0.9820 -5.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 0.2310 -6.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 0.7600 -7.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 2.0990 -8.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 2.9320 -6.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 6.7390 -3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 7.5120 -3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 8.8800 -3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 9.4900 -4.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 8.7450 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 7.3790 -4.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 11.1700 -4.6140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 5.5550 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 6.1920 -0.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 2.3530 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 1.5640 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 0.5600 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.5070 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 2.2900 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 1.4460 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 0.5460 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 3.7680 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 2.0330 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 3.7060 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 2.8820 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 0.4770 -4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -0.8480 -6.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.5000 -8.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 4.0030 -7.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 7.0560 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 9.4570 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 9.2130 -5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 6.8080 -5.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.5880 0.9960 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5900 0.7900 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 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 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 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 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 26 27 3 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END