CHEMDIV-ZINC04144071 MOE2007 3D Structure written by MMmdl. 45 49 0 0 0 0 0 0 0 0999 V2000 0.4450 6.2850 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 5.2340 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 3.9650 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 3.7930 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 2.4630 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 1.8230 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 2.6980 -1.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 0.0950 -0.6960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.3260 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.7960 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.6870 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -4.0530 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -4.5550 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -3.6650 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -2.2990 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -6.0260 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -6.4210 0.5500 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 -8.1220 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -8.8400 0.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -8.4840 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -10.1400 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -10.1370 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 -8.8670 -0.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -11.3590 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -12.4870 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -12.3450 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -11.1860 0.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 4.7950 1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 6.0280 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 7.3120 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 5.3950 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.2530 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -0.0260 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.3260 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -4.7260 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -4.0340 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -1.6320 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -6.6050 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -6.3240 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -11.4200 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -13.4630 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -13.2170 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 6.8510 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 2.4500 0.5880 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9720 2.0310 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 28 2 0 0 0 0 4 44 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 44 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END