IBS-ZINC04170453 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 -3.1610 1.1540 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 0.3050 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 0.2490 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -0.5700 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -2.0530 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.8030 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.1250 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -1.7020 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8100 -4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -0.6060 -4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 0.6320 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 0.7260 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -0.4710 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -0.7880 -1.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.0440 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 1.4110 -0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 2.2830 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 3.6750 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 3.5980 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 2.1840 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -4.2190 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -5.3730 0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -2.6570 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 0.7440 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 2.1830 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 1.1830 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.7220 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -0.6980 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.1320 3.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 1.2780 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -2.7720 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -0.6240 -5.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 1.5470 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.6890 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 2.0200 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 2.2290 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 4.4660 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 3.8560 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 3.7210 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 4.3640 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.7940 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 2.1830 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -2.2710 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -2.4480 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -3.7460 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -2.6890 -2.2140 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0240 -3.6860 -2.3990 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 1 0 0 0 0 2 27 1 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 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 15 2 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 14 1 0 0 0 0 7 46 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 8 46 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 3 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END