KEYORGANICS-ZINC04054412 MOE2007 3D Structure written by MMmdl. 43 45 0 0 1 0 0 0 0 0999 V2000 2.0980 0.0060 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -0.4050 2.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7620 -1.4970 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -0.0970 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -0.8980 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -0.6340 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 0.4360 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 1.2410 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 0.9790 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.5510 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.1230 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 1.3410 -0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 2.0710 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 1.6540 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 1.9940 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 1.4380 -2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 2.0940 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 3.3330 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 3.9080 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 3.2420 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 5.4340 -0.5190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 4.0950 -2.9230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 1.0900 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.3580 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -0.4260 4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -1.7470 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 -1.2660 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1710 0.6420 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 2.0760 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 1.6360 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.2690 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.6310 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.5760 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -0.5220 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 1.8360 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 3.1580 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 1.9360 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 2.1100 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 0.4860 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 1.6300 -3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 3.7050 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 0.1380 1.1320 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8130 -0.1000 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END