IBS-ZINC02311253 MOE2007 3D Structure written by MMmdl. 48 52 0 0 0 0 0 0 0 0999 V2000 -0.0580 4.2030 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 3.6380 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 2.2780 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 1.4680 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 2.0480 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 3.4080 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.0040 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 0.1950 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.1380 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -1.5640 4.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -2.1860 3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -1.8500 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -2.3260 5.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -2.1940 5.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -2.9980 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -2.6410 7.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -3.0800 8.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -2.4900 8.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -1.4920 7.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 -1.0450 6.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -1.6390 6.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -1.4150 5.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.7620 4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 -2.8980 9.8220 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -3.9450 7.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -4.0470 6.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -3.3200 5.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 5.2620 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 4.2600 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 1.8600 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 1.4480 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 3.8510 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.5660 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -0.3580 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -0.2590 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 1.2790 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 0.4100 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 0.2380 4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -1.8250 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -3.2800 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -2.1790 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -2.3150 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -3.8590 9.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -1.0610 8.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -0.2690 6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -4.8070 6.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.3470 1.4820 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9050 0.0940 1.6850 H 0 0 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 27 2 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 25 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 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END