IBS-ZINC01321217 MOE2007 3D Structure written by MMmdl. 46 48 0 0 0 0 0 0 0 0999 V2000 1.6700 9.9370 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 9.4600 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 8.0080 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 7.4240 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 8.1080 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 5.9540 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 5.3790 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 3.9020 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 3.3340 0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 3.1520 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 1.7490 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 1.0760 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 3.1730 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 3.8700 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 5.2170 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 1.1160 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 1.0590 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 6.2180 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 7.0250 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 7.8100 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 7.7930 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 6.9860 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 6.2000 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 6.9710 -2.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 6.1200 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 8.5650 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2270 9.3680 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 9.5660 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 11.0270 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 9.5580 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 9.8390 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 9.8310 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 3.7110 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 0.9260 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 0.8540 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 7.0370 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 8.4370 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 5.5740 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 6.4210 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 5.0880 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 6.2030 -3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 8.7260 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3930 10.0580 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1520 9.9330 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 17 36 1 0 0 0 0 18 37 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 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END