KEYORGANICS-ZINC01393437 MOE2007 3D Structure written by MMmdl. 49 52 0 0 0 0 0 0 0 0999 V2000 1.0940 1.5640 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 1.4530 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 1.4370 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 2.6010 -1.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 2.8460 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 2.8800 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 3.2980 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 4.6870 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 5.2310 -3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 4.4620 -4.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 3.1360 -4.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 2.5390 -3.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 2.2820 -5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 0.8800 -5.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 0.0680 -6.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 0.6400 -7.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 2.0210 -7.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 2.8310 -6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 6.6750 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 7.4630 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 8.8260 -3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 9.4180 -4.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 8.6570 -5.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 7.2950 -4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 11.0930 -4.6710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 5.5290 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 6.1790 -0.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 2.4050 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 1.6270 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 0.6110 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 0.5130 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.2940 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 1.4090 -2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 0.5220 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 3.7600 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 2.0270 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 3.7270 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 2.9160 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 0.4010 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -1.0110 -6.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 0.0110 -8.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 2.4720 -8.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 3.9090 -6.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 7.0230 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 9.4140 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 9.1100 -5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 6.7120 -5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 1.6110 1.0790 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6280 0.8120 1.2660 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 48 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 48 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 48 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 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 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 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 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 46 1 0 0 0 0 24 47 1 0 0 0 0 26 27 3 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END