OTAVA-ZINC05557061 MOE2007 3D Structure written by MMmdl. 40 42 0 0 0 0 0 0 0 0999 V2000 2.7960 6.5430 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 5.3300 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 5.1670 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 4.0590 1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 3.1000 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 3.2740 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 4.3840 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 1.9130 2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.2010 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 0.0600 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -0.6000 2.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.3010 4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -1.4090 5.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -1.7090 6.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.9150 6.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 0.1820 6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 0.5030 4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 1.5740 4.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -1.2570 8.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.9050 7.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.5840 1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.9510 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 7.3440 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 6.2900 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 6.8710 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 5.9090 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 3.9340 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 2.5380 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 4.5170 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -2.0280 4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 0.7920 6.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -1.9280 7.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -0.3440 8.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7450 8.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -3.7820 6.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.7170 8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -3.0800 6.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.1240 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 1.1460 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 1.3470 -0.8360 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END