IBS-ZINC01805676 MOE2007 3D Structure written by MMmdl. 58 60 0 0 0 0 0 0 0 0999 V2000 -0.3210 -1.0990 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4710 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.9640 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 1.5900 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 3.0350 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 4.0990 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 5.4210 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 5.6440 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 6.8060 -0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 7.7070 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 6.5960 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 7.4950 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 6.9520 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 5.5760 -3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 4.6780 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 5.2200 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 4.6850 -0.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3610 3.2840 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 2.3210 -0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 1.7510 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 2.5840 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 2.0120 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 2.5950 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 2.7180 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 6.5500 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 7.5100 2.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 3.8130 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -0.5330 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -1.1300 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -2.1240 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -1.0790 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.4850 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 1.5620 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 0.9710 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 0.9810 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 1.5350 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 8.5490 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 7.6060 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 5.1980 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 3.6220 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 1.9800 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 1.6510 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 0.7380 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 2.5870 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 3.6250 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 2.0120 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9190 0.9920 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1150 1.5490 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6560 3.2700 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2370 2.8050 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0180 3.0470 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 3.3640 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9470 1.6710 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 3.0120 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 3.5270 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 4.6720 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 2.8650 1.0900 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6070 3.8510 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 18 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 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 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 57 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 57 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 57 1 0 0 0 0 25 26 3 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 17 1 M CHG 1 57 1 M END