IBS-ZINC02267724 MOE2007 3D Structure written by MMmdl. 55 57 0 0 1 0 0 0 0 0999 V2000 -4.5180 7.4340 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 5.2850 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 5.2230 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 5.6300 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 3.4870 -0.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8020 2.8900 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 1.3800 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 1.0120 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 1.5330 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 3.0550 -1.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3370 3.2340 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 3.8280 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 5.3380 -1.7970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3670 5.7950 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 5.8820 -0.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4460 7.4080 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 7.7580 -1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 7.2250 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 5.7250 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 5.7500 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 5.6510 1.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 2.9860 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 2.6790 -0.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 7.4830 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 7.8720 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 7.9480 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 4.2690 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 5.8340 4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 5.2760 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 5.4030 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 4.1710 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 5.3190 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 6.7130 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 3.3530 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 3.0700 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 0.8490 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0420 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.0780 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.4140 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 1.2810 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.9970 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 3.5940 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 3.5010 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 7.9130 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 7.8790 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 8.8480 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 7.3590 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 7.7400 -3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 7.4400 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3860 -3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 5.2320 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 5.9840 2.6970 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5650 5.9620 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 5.0980 -0.0890 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1710 5.3710 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 52 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 3 0 0 0 0 22 23 3 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 52 1 M CHG 1 54 1 M END