KEYORGANICS-ZINC04002998 MOE2007 3D Structure written by MMmdl. 50 53 0 0 0 0 0 0 0 0999 V2000 0.0850 -3.6260 5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -2.1330 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -1.8360 5.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -1.2700 5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -1.8330 3.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -2.0650 3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -1.7820 1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.2470 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.0370 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -1.3200 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -0.8940 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 0.0850 -0.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -0.1480 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -1.2710 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -1.1420 -1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 0.0520 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 1.1770 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 1.0360 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 1.3440 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 2.0250 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 2.4110 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 3.0730 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 3.3320 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 2.9800 2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 2.3360 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 1.9270 2.9500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -4.2690 4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -3.8740 6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -3.9030 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -0.7790 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -2.0670 6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.4380 4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -1.4950 5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -1.4370 6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -0.2020 5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -2.4670 3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -1.9720 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -0.6340 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.1200 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -1.8000 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -0.4570 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -2.1910 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7360 -1.9900 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 0.0990 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 2.1000 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 2.2070 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 3.3830 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 3.8470 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 1.9230 -0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0240 2.8740 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 19 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 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 49 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END