IBS-ZINC05557457 MOE2007 3D Structure written by MMmdl. 43 46 0 0 0 0 0 0 0 0999 V2000 7.4620 7.8350 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 6.2880 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 5.1900 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 5.6390 -0.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 6.2990 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 7.3870 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 5.2110 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 6.0430 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 7.4480 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 8.1800 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 7.5270 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 6.1520 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 5.4040 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 4.1030 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 3.3950 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 3.9100 0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 1.9630 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 1.3350 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -0.0150 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.7160 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -0.0320 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 1.2770 0.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1860 7.3530 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 8.1410 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 8.6890 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 7.1340 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 5.8910 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 4.9120 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 4.2980 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 5.5380 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 6.7340 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 8.2320 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 7.7420 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 7.9890 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 9.2540 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 8.0820 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 5.6530 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 1.8840 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.5150 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -1.7670 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -0.5320 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 6.8300 0.0130 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8760 6.0370 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 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 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END