IFLAB-ZINC04033739 MOE2007 3D Structure written by MMmdl. 46 49 0 0 1 0 0 0 0 0999 V2000 -3.4710 -2.4010 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -2.7550 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -2.4430 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.8110 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -3.4530 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -3.7590 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -3.4290 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -3.8990 -0.9350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -1.8370 -2.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -1.1230 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -1.1770 -3.6230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.3270 -1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 0.3350 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 1.8700 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 2.1830 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 1.3220 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 2.0050 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 1.6330 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 3.2300 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -0.0660 -0.6490 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7870 -0.0820 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -1.1240 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.0870 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -2.0900 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -3.1390 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -3.2070 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -2.2050 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -4.1010 2.9980 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -3.1860 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -2.2660 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -1.4460 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -2.6420 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -3.7350 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -4.2720 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -1.9830 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -0.0750 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 0.1220 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 2.3030 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 2.3040 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 3.9850 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -0.2840 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -2.0620 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -4.0400 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -2.2800 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 3.3450 0.5540 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0130 4.1770 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 40 1 0 0 0 0 19 45 2 0 0 0 0 20 21 1 0 0 0 0 20 22 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 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END