IBS-ZINC06719822 MOE2007 3D Structure written by MMmdl. 47 50 0 0 0 0 0 0 0 0999 V2000 0.0210 0.8570 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.4070 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 1.6580 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 2.1720 2.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 2.2510 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.7950 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.8490 2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.5300 2.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 1.8300 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 2.3260 4.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 2.3240 4.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 2.7540 5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 2.7290 4.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 1.6150 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 1.9250 4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 1.7040 4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 1.1760 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 0.8620 2.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 1.0880 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 2.5970 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 4.1200 3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 4.2610 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 6.0950 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 1.4470 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -0.0540 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.6030 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 1.5890 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 3.1260 6.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 2.3390 5.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5410 1.9400 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3790 0.9860 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 0.8210 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 2.1990 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 2.1290 4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 4.5470 3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 4.5450 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 4.6760 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 4.6890 5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 3.1740 5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 6.2910 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1140 6.3940 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 6.6100 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 0.6760 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 2.3750 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 1.1260 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 4.6110 3.6940 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7120 4.1620 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 28 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 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 46 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 46 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 46 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END