IFLAB-ZINC04279371 MOE2007 3D Structure written by MMmdl. 54 57 0 0 1 0 0 0 0 0999 V2000 3.1650 -2.1760 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -1.5940 3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -2.0610 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -1.4990 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -0.4470 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 0.0240 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -0.5400 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.1380 0.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4660 -0.1860 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.5130 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -1.6220 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -1.9290 -0.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -2.7010 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -1.0410 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -0.1340 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.8920 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 0.9640 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 0.0360 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -0.9850 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -2.4420 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 2.2140 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 3.7360 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 4.2970 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 3.6770 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 2.1550 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 5.8200 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -1.6300 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -2.1190 5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -3.2320 4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -2.8700 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -1.8980 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.8360 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -0.1510 4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 1.6390 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 1.7540 3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 0.1040 2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -1.7090 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -3.0390 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -3.1270 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -1.8000 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 1.8540 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 1.8300 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 4.1250 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 4.0750 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 4.0320 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 4.0230 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 4.0110 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 1.7720 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 1.7540 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 6.1490 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 6.2640 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 6.2220 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.6630 0.0170 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4080 2.0220 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 53 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 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 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 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 21 42 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 53 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END