IBS-ZINC05350168 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 3.6710 2.2130 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4240 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.3870 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.6700 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 0.0580 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -2.1450 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -2.7820 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -2.8110 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.0470 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -0.7070 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -2.7190 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -3.9330 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -1.9850 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -2.6490 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 -1.6110 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -1.1450 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5280 -0.1890 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 0.2940 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5500 -0.1750 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -1.1280 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3160 1.5090 0.0990 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.2180 2.1810 1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2410 2.1960 -1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7610 0.7010 0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 2.4090 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.1590 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 1.6420 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9160 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -0.4560 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -3.8880 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -1.0160 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -3.2670 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -3.2760 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -1.5250 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9100 0.1780 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9500 0.2020 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 -1.4950 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7750 -0.2680 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5940 1.1980 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END