IBS-ZINC00534227 MOE2007 3D Structure written by MMmdl. 45 49 0 0 1 0 0 0 0 0999 V2000 1.0490 0.0580 -4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -0.2200 -4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 0.2740 -3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 1.0550 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 1.3270 -2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 0.8310 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 1.5900 -1.1350 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6950 1.3330 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 1.0120 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 1.5650 1.3460 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6200 1.1000 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 3.0020 1.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 3.9230 2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 3.7920 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 4.9720 4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 6.2170 3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 6.3400 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 5.1620 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 3.6230 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 3.0500 -1.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 1.2730 2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 1.9920 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 1.6910 3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 0.6620 4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -0.0680 4.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.2320 3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -0.3300 -5.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -0.8260 -5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 0.0400 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 1.9270 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 1.0450 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.0850 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.2920 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 2.8390 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 4.9270 5.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 7.1050 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 7.2890 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 3.5880 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 2.7960 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 2.2560 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 0.4240 5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -0.8760 5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -0.3590 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 4.9210 0.1880 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9490 5.6270 -0.5370 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 44 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END