CHEMDIV-ZINC01275150 MOE2007 3D Structure written by MMmdl. 55 60 0 0 0 0 0 0 0 0999 V2000 1.3210 2.1360 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 3.5290 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 4.0910 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 3.1860 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 1.8110 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 1.2370 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 1.2470 -0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 0.2440 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 2.1950 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 1.9870 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 1.4090 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 1.8750 3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 2.0800 3.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2390 2.7040 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 2.2260 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1340 1.9230 5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3160 1.1820 5.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1570 0.2780 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2360 -0.1760 5.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2430 0.4270 7.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 1.2740 6.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2590 1.9380 7.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 2.5290 7.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 2.5470 6.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2750 -1.1540 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1900 -1.3680 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7350 -1.4860 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 -0.1990 3.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.7500 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 4.1840 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 5.1570 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 0.1670 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 2.6470 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 0.9390 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 0.3850 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 1.4670 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 2.8170 4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 1.1260 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0870 3.7890 2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3200 2.5480 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 2.8650 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 1.1840 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 3.0610 8.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1090 -2.1120 5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2820 -0.8110 5.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7500 -2.2690 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6670 -0.5250 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2580 -2.3370 3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7060 -1.6900 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8870 -0.3780 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2920 0.5790 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 3.3730 -0.3500 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0080 4.2850 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 2.3030 1.4390 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9470 3.2730 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 52 2 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 24 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 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