IFLAB-ZINC04279372 MOE2007 3D Structure written by MMmdl. 54 57 0 0 1 0 0 0 0 0999 V2000 4.4980 3.5100 5.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 3.6650 3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 4.7330 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 4.8570 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 3.9090 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 2.8320 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 2.7090 2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 4.0930 0.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5150 5.1280 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 3.1700 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 3.5690 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 2.4720 0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 2.4700 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.3650 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 1.7580 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 0.7670 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -0.5490 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.8980 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 0.0540 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 4.8960 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 4.9450 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 4.6940 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 4.8130 -3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 3.8920 -3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 4.1480 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 4.4970 -4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 2.9150 5.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 3.0140 5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 4.4860 5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 5.4780 4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 5.7070 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 2.0650 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 1.8570 3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 0.9860 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.3050 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -1.9240 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -0.2190 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 5.1670 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 5.6710 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 4.8930 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 5.9630 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 4.7780 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 3.6950 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 5.4130 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 5.8500 -3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 2.8420 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 4.0400 -4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 3.4250 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 5.1640 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 4.6110 -5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 5.1760 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 3.4710 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 3.9800 -1.2040 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1610 3.0330 -1.1960 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