IBS-ZINC00125005 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 -0.3550 1.3670 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 2.1390 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 1.5300 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 0.0880 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -0.0770 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -1.3250 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -2.3680 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -3.6440 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -3.8760 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -5.2190 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -6.1720 1.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -5.3600 3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -4.2740 3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -3.0550 3.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -2.8200 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -1.5490 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -4.4410 4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -5.6960 5.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3670 -5.8460 6.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7330 -4.7550 6.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 -3.5080 6.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -3.3450 5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -4.6630 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 3.6130 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 1.3180 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 1.8670 -3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 0.3570 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 2.0610 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -0.1940 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.5460 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -2.1820 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -6.3240 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -0.7320 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -6.5470 4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 -6.8170 6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4460 -4.8780 7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -2.6610 7.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -2.3710 5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -5.1330 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 3.7540 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 4.0510 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 4.0990 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END