IBS-ZINC05347206 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 2.3080 -0.3090 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.1180 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 1.0760 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 1.7480 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 3.1280 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 3.8480 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 3.1690 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 5.3290 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 6.0620 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 5.4970 -2.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 7.5350 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 8.3320 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 9.7050 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 10.2910 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 9.5120 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 8.1270 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 7.3530 1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 6.0160 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 5.3010 2.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 5.9480 3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 7.1640 3.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 5.1860 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 5.6500 5.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 4.7090 6.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 3.3900 6.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 3.4180 4.6230 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 10.7040 -3.2360 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -0.7140 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.6570 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.6460 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 1.1920 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 3.6510 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 3.7210 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 7.8770 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 11.3670 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 9.9800 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 4.3320 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 6.7070 5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 5.0110 7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 2.5340 6.8020 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 19 2 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 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 M END