IBS-ZINC02309158 MOE2007 3D Structure written by MMmdl. 49 52 0 0 0 0 0 0 0 0999 V2000 -5.0550 12.6940 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 11.4020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 10.5160 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 9.3440 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 9.0570 0.6830 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4920 9.8820 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 11.0730 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 12.0050 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 7.8790 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 6.6810 0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 5.4050 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 4.3500 0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 5.4170 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 4.2270 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 4.2580 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 5.4630 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 6.6580 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 6.6440 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 7.9100 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 8.9740 1.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 6.6690 0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 5.2320 -0.2190 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 5.5480 -0.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 4.5120 -0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 4.3220 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 3.0760 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 2.3640 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 2.8930 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 4.1370 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 4.8510 2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 1.9960 5.0490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 13.4770 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 12.5620 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 12.9770 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 10.7430 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 8.6520 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 9.6200 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 12.7020 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 12.5620 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 11.4270 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 3.2820 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 3.3330 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 5.4750 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 7.5970 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 7.5020 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 2.6620 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 1.3930 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 4.5500 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 5.8220 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 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 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 M CHG 1 5 1 M END