IBS-ZINC05270902 MOE2007 3D Structure written by MMmdl. 50 52 0 0 0 0 0 0 0 0999 V2000 3.6420 0.4880 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 0.5860 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.4760 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 0.0500 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 1.4170 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 1.7930 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 3.1750 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 4.0230 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 3.5180 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 2.2360 0.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 3.6900 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 5.1210 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 5.4840 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 7.6890 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 7.3050 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -0.6960 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -1.1310 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -0.1870 -2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -0.5960 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -1.9520 -3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -2.9010 -3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -2.4930 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -1.9390 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.1210 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 0.8100 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -0.5310 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 4.2390 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 3.0490 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 5.6370 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 5.4630 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 5.0900 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 5.0690 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 7.2560 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 8.7520 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 7.5660 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 6.8450 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 8.3910 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 6.9090 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -1.5490 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -0.0730 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 0.8760 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 0.1440 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -2.2680 -4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -3.9590 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.2500 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -2.2560 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -2.1900 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -2.5300 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 6.9850 0.0700 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2400 7.3680 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 49 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 49 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END