IBS-ZINC00108642 MOE2007 3D Structure written by MMmdl. 45 49 0 0 0 0 0 0 0 0999 V2000 5.8890 4.5540 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 4.0060 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 3.7770 -2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 4.1170 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 4.6770 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 4.8950 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 4.9050 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 4.4850 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 4.0060 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 3.4640 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.4400 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.0750 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.7470 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -0.1870 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 1.3300 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 4.5210 2.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 5.0370 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 5.1370 4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 5.6600 5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 6.0910 5.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 5.9980 4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 5.4810 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 5.4190 2.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 4.7240 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 3.7550 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 3.3590 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 5.3270 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 3.8300 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 3.7980 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.9060 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 1.7630 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -0.4420 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.3520 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.5930 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.8290 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -0.6320 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -0.4740 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 1.6570 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 1.7000 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 4.8020 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 5.7300 6.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 6.5000 6.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 6.3390 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 1.9450 0.1230 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1130 1.6560 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 44 1 0 0 0 0 16 17 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 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END