IBS-ZINC05207312 MOE2007 3D Structure written by MMmdl. 48 53 0 0 0 0 0 0 0 0999 V2000 0.8420 5.8070 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 5.8800 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 4.7290 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 3.5200 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 3.4480 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 4.5790 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 2.1070 0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 1.6880 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.3880 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -0.0350 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.8190 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1410 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -3.2010 -0.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -2.8560 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -3.8690 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -3.5870 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -2.2680 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -1.2390 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -1.5030 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.4610 -0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -2.1660 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.8660 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -0.6100 0.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -3.4000 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -3.7220 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -3.7680 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -4.0350 3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -4.2550 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -4.2350 3.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -3.9800 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 6.7320 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 6.8610 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 4.7730 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 4.5120 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -4.9070 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -4.3980 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -2.0370 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -0.2080 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 0.3010 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -1.3270 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -3.2710 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -4.2180 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -3.5980 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 -4.0680 3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -4.4620 5.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -3.9860 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 2.2170 -0.3550 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9700 1.9260 -0.6790 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 31 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 47 2 0 0 0 0 10 11 1 0 0 0 0 10 22 2 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 30 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END