OTAVA-ZINC01789910 MOE2007 3D Structure written by MMmdl. 44 47 0 0 0 0 0 0 0 0999 V2000 1.2240 1.0540 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 1.6690 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 2.0970 3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 2.6610 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 2.7970 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 2.3740 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 1.8050 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 1.3390 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 1.5860 -1.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 1.2210 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 2.0980 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 3.1900 -2.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 1.6350 -4.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 2.4280 -5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 1.9630 -6.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 0.7120 -6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.0820 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 0.3690 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.3930 -4.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 0.0110 -2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.8880 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.2320 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -3.0650 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -2.5750 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -1.2460 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -0.4000 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 1.8360 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 0.5500 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 0.3330 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.9910 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 2.9960 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 3.2380 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 2.4850 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 0.2710 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.8820 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 3.4020 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 2.5740 -6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 0.3570 -7.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -1.0530 -6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.6160 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -4.1030 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -3.2330 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -0.8700 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 0.6370 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END