IBS-ZINC04279004 MOE2007 3D Structure written by MMmdl. 41 43 0 0 0 0 0 0 0 0999 V2000 -0.6890 4.6900 5.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 3.7940 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 3.7430 3.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 2.9900 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 2.3930 2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 2.8920 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 2.1160 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 2.0290 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 1.3650 -2.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 2.7820 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 2.7580 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 3.4690 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 4.2180 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 4.2520 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 3.5340 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 3.5610 1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 4.9210 -0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.3920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6750 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -0.6290 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 0.1640 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 4.7290 6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 5.6960 5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 4.2850 5.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 2.7890 4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 4.2000 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 2.1790 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 3.4510 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 4.8340 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7240 4.4240 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 3.1830 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 1.9740 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -1.7550 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 0.7980 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 0.7880 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 -0.4890 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 18 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 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 33 1 0 0 0 0 15 16 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END