COMGENEX-ZINC06713879 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 0.2470 9.6720 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 10.8180 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 10.6970 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 9.4300 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 8.2660 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 8.4030 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 6.9210 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 5.8810 -0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 4.5880 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 4.2240 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 2.8850 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 1.8620 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 2.2140 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 3.5560 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 3.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 2.2470 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 1.4290 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -0.0300 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.5230 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -1.0590 1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -1.5110 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -1.4330 4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -0.9080 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -0.4530 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -1.8700 5.3750 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 1.8590 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 2.7310 0.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 9.3330 -0.6150 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 9.7600 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 11.8010 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 11.5790 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 7.5240 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 6.9510 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 6.7400 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 4.9700 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 2.6320 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 0.8260 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 4.4270 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.3990 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.4300 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -1.1170 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -1.9170 3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -0.8550 4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -0.0380 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 0.6850 -0.2460 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 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 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 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 43 1 0 0 0 0 24 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 45 -1 M END