CHEMDIV-ZINC05345759 MOE2007 3D Structure written by MMmdl. 38 40 0 0 0 0 0 0 0 0999 V2000 5.6600 3.1420 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 2.1460 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 0.8050 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -0.1310 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.2720 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -0.6870 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -1.8660 0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.1660 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 1.1290 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 2.0440 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 1.5970 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 2.5330 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 1.6260 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 0.8660 0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 2.9780 0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 3.7780 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 5.1370 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 5.9990 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 5.4980 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 4.1520 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 3.2940 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 6.6000 -0.4130 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 7.6110 -1.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 5.7120 -0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6400 7.1440 1.0500 N 0 5 0 0 0 0 0 0 0 0 0 0 -5.8450 7.6930 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 3.1690 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 4.1440 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 2.8820 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 0.4830 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -1.1670 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -0.8720 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 3.5650 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 3.4520 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 5.5440 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 7.0490 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 3.7690 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 2.2530 0.4080 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 12 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 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 33 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 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 M CHG 1 25 -1 M END