CHEMBRIDGE-ZINC04398813 MOE2007 3D Structure written by MMmdl. 50 52 0 0 0 0 0 0 0 0999 V2000 0.3240 10.2500 -6.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 9.5490 -6.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 8.6300 -5.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 8.4070 -4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 9.1120 -3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 10.0300 -4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 7.3940 -3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 6.0050 -3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 5.0210 -2.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 3.7270 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 3.0010 -3.4490 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 3.0870 -1.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 1.6220 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 1.0760 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 3.2760 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 3.8030 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.1890 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 1.6120 3.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 2.4250 4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 2.8180 6.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 2.4070 6.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 1.5940 5.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 1.1940 4.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 1.0490 5.8900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 2.9320 7.9180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 10.9640 -6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 9.7160 -7.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 8.0890 -5.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 8.9500 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 10.5730 -4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 7.3590 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 7.7190 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 6.0300 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 5.6550 -4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 5.3070 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 1.1120 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.4070 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 0.0030 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 1.2660 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 3.4820 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 3.7290 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 4.8750 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 3.6670 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 0.0970 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.4750 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.7600 4.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 3.4460 6.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 0.5440 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.7650 1.4080 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6790 1.5680 1.5290 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 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 16 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 38 1 0 0 0 0 14 39 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 49 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END