COMGENEX-ZINC06776294 MOE2007 3D Structure written by MMmdl. 45 48 0 0 1 0 0 0 0 0999 V2000 3.2330 5.0790 3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 4.2700 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 3.2640 3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 3.0980 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 3.8860 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 4.8990 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 3.4310 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 2.3990 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 2.2070 1.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 1.5110 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 3.9940 -0.6580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9310 4.9470 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 4.2810 -2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 4.9720 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 5.9990 -2.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 2.9980 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 1.8610 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.9650 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 1.1920 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 2.3290 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 3.2120 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 2.5940 1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 2.6220 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 3.2690 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 3.2860 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 2.6700 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 2.0430 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.0260 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 2.6920 -1.0390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 5.8600 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 4.4240 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 2.6380 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 5.5390 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 1.7840 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 4.9600 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 3.3770 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 1.6590 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.0900 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 0.4850 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 4.0800 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 3.7680 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 3.7840 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 1.5700 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 1.5460 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 4.4390 -4.0880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 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 15 2 0 0 0 0 14 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 1 45 -1 M END