IFLAB-ZINC04033738 MOE2007 3D Structure written by MMmdl. 46 49 0 0 1 0 0 0 0 0999 V2000 0.2370 3.2790 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 2.6340 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 2.3950 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 1.8040 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.4290 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 1.6670 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 2.2750 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 2.5740 1.2700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 2.8440 0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 2.4790 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 0.9010 -0.3440 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 3.5450 0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 4.9760 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 5.6480 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 5.3060 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 4.2580 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 4.3020 1.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 3.6630 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 5.3210 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 3.2960 0.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3760 2.3100 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 3.3500 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 2.1630 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 2.1740 -3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 3.3740 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 4.5630 -3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 4.5520 -1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6770 3.3880 -4.8870 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 4.3630 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 3.0810 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 2.8820 2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 1.6590 -1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 0.9730 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 1.3880 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 3.5160 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 5.4940 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 5.0870 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 6.7330 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 5.2640 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1830 5.5980 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 1.2090 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 1.2540 -3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 5.4920 -3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 5.5030 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0880 5.9370 2.5850 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9090 6.7510 3.1670 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