IBS-ZINC04729130 MOE2007 3D Structure written by MMmdl. 55 57 0 0 1 0 0 0 0 0999 V2000 -0.4720 8.3180 -3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 8.2170 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 6.0730 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 5.1480 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 3.1630 -0.9020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6220 3.8310 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 3.3490 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.8410 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.1340 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 1.6140 -0.7350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2640 1.2850 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 0.8880 -1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 1.3560 -2.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3790 1.1550 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 2.8770 -2.6320 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3080 3.2440 -2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 2.3970 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 0.8980 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 0.5200 -3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 3.2520 -3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 3.5890 -4.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 3.5660 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 3.9410 -2.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 8.3470 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 9.3230 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 7.8280 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 7.6930 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 9.2420 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 8.2020 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 5.7550 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 6.1150 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 5.4180 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 5.2800 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 4.9240 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 3.6100 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 3.6330 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 3.8360 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 1.5720 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 1.5020 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 0.0540 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 1.2880 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -0.1930 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 1.0380 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 3.1110 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 4.2940 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 2.6310 -3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 2.6750 -4.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 0.5820 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 0.3520 -4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.5470 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.6540 -4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 7.5150 -2.1490 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1990 7.5260 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 3.6310 -1.3420 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8330 3.2520 -0.5920 H 0 0 0 0 0 0 0 0 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 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 52 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 3 0 0 0 0 22 23 3 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 52 1 M CHG 1 54 1 M END