KEYORGANICS-ZINC04002722 MOE2007 3D Structure written by MMmdl. 27 29 0 0 1 0 0 0 0 0999 V2000 0.9310 5.5630 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 4.7680 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 3.4150 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 3.1280 2.6710 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 4.7960 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 2.2730 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3520 2.6540 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.4020 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.0240 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -0.4120 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -1.3850 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 0.6320 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -0.7910 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 0.0750 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 6.6460 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 5.1830 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 5.1400 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 0.5900 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.1590 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -1.6520 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -0.4020 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 0.2830 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 1.7400 -0.0590 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7350 2.6840 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 1.4240 0.2990 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5270 1.3000 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 1.9710 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 2 0 0 0 0 8 23 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 10 12 1 0 0 0 0 12 18 1 0 0 0 0 12 23 2 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 1 M END