IBS-ZINC02124412 MOE2007 3D Structure written by MMmdl. 45 47 0 0 0 0 0 0 0 0999 V2000 5.9990 -0.7530 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 0.1620 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -0.6320 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0320 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6780 -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 -0.0170 1.3830 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4180 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 2.0470 0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 3.4080 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 4.0800 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 5.4170 1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 6.1950 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 7.5790 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 8.3530 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 7.7560 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 6.3960 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 5.6010 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 4.1310 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 3.5570 -2.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 9.7070 -0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 10.4490 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 11.9240 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 12.3000 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 3.2940 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -1.3780 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 -0.1470 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -1.3870 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 0.7960 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 0.7860 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.7580 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 1.9710 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 8.0500 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 8.3720 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 5.9370 -3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 10.1800 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 10.2180 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 3.0820 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 3.8740 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 2.3560 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 12.8190 -2.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 13.7440 -2.3140 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 44 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 44 45 1 0 0 0 0 M END