IBS-ZINC05451715 MOE2007 3D Structure written by MMmdl. 56 59 0 0 0 0 0 0 0 0999 V2000 2.2800 9.3370 -8.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 8.0010 -8.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 5.5600 -7.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 4.5260 -6.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 6.1220 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 7.2040 -6.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 3.7260 -4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 3.7500 -3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 4.2810 -3.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 3.0800 -2.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 2.9060 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 2.2300 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 2.0760 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 1.4730 2.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 2.6820 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 2.5910 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 3.1830 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 3.8600 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 3.9460 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 3.3550 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 3.4740 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 1.6470 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 2.4030 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 1.8690 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.5820 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -0.1770 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 0.3510 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 10.0360 -8.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 9.2350 -7.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 9.7900 -7.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 8.0720 -8.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 7.6310 -9.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 5.5100 -8.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 5.4100 -8.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 3.5330 -7.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 4.5400 -6.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 6.2250 -4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 6.3210 -4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 7.1960 -6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 8.1890 -5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 2.7300 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 3.8280 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 2.6720 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 2.0660 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 3.1160 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 4.3200 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 4.4730 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 3.4080 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 2.4520 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 0.1650 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -1.1850 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -0.2570 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 6.9690 -7.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6430 7.0200 -7.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 4.7650 -5.5110 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3560 4.7040 -5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 53 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 55 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 55 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 53 1 M CHG 1 55 1 M END