KEYORGANICS-ZINC01397550 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 1.3330 -0.2010 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.1870 -2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 0.1460 -3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.1510 -4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.1850 -4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -0.5080 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -0.4880 -1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -0.8360 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -0.1120 -0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -0.6820 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -2.0000 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9710 -2.2160 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 -1.1300 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 0.1950 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 0.3740 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 1.2130 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 2.1930 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 2.2800 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 3.2480 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 4.1040 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 4.0550 -1.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 3.1050 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 3.1350 -2.5420 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.3680 -1.3770 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -3.6320 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -1.1540 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.0870 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 0.6210 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.3990 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.4080 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.1940 -5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -0.7690 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -0.5730 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -1.9170 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -2.8130 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 1.0400 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.6030 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 3.3340 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 4.8760 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6050 -2.0300 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 -0.4430 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7220 -1.8340 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 -3.9190 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 -3.7250 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -4.3440 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 1.5180 -0.0410 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6560 2.4560 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 46 2 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 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END