IBS-ZINC05345144 MOE2007 3D Structure written by MMmdl. 49 51 0 0 0 0 0 0 0 0999 V2000 -2.5020 -0.8890 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -1.0760 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -2.2970 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -2.0510 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.6760 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.0430 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 1.3730 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 2.0080 0.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 1.2770 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -0.0510 0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 2.1160 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 3.5620 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 4.1210 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 5.6460 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 5.9270 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 7.6770 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -3.0180 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -4.1470 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -5.0490 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -4.9090 -0.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -3.8020 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -2.8370 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -3.6600 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -0.1960 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -1.8260 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -0.4900 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.8360 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 1.6310 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 3.8740 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 3.9690 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 3.7970 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 3.6910 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 6.0080 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 6.0630 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 6.3640 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 6.3790 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 4.8470 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 7.8160 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 8.0050 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 8.2080 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -4.3230 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -5.9340 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -3.7040 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -1.9930 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -4.3640 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -3.6230 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -4.0550 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 6.2030 -0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3950 5.7360 -0.8480 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 17 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 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 48 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 48 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 48 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 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END