IFLAB-ZINC00564614 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 -4.5920 -10.8160 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 -9.3430 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -8.7590 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 -7.3860 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -6.6340 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -7.2020 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -8.5560 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -6.1620 -1.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -6.2370 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -5.0390 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -3.4720 -1.5270 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -3.5990 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -2.3510 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.0400 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.7120 -0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 0.0450 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 1.3130 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.7550 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 1.0060 0.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.2490 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 3.1860 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -0.5120 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -10.9940 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -11.2110 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -11.3730 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 -9.3920 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -6.9420 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -8.9690 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -4.4430 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -3.7680 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -2.6120 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 2.0200 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 3.1990 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 3.7260 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 3.6940 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -0.8570 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 0.2340 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -1.3560 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -5.2850 -0.5750 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7640 -4.5890 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -1.1880 0.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7310 -1.0260 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 41 2 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 1 M END