IBS-ZINC02124412 MOE2007 3D Structure written by MMmdl. 44 46 0 0 0 0 0 0 0 0999 V2000 5.9310 -1.3040 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -0.2630 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -0.7670 -0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 0.0380 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -0.4940 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 0.2220 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 1.4850 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 2.0170 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 1.2950 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 2.1140 0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 3.4940 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 4.2880 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 5.6680 1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 6.2780 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 7.6690 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 8.3610 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 7.6450 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 6.2500 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 5.5720 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 4.1120 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 3.4470 -1.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 9.7190 -1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 10.4820 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 11.9690 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 12.5780 -1.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 3.7690 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.5080 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 -0.9660 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -2.2520 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 0.6670 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -0.0920 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.4740 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -0.2030 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 2.9830 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 1.7430 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 8.2240 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 8.1450 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 5.7030 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 10.3260 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 10.1990 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 4.2120 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 4.0420 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 2.6820 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 12.4210 -2.1340 O 0 5 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 M CHG 1 44 -1 M END