M6ADRUG0040 -OEChem-08152207063D 27 28 0 0 0 0 0 0 0999 V2000 -3.2248 0.2874 -2.3260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.2086 1.5903 -0.1929 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 1.1274 -0.8087 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -1.4311 -1.2570 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6055 3.4841 -0.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -2.9219 0.5710 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1757 -3.3129 -0.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 -2.5159 0.0594 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7762 -0.5742 -0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 -1.1288 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 1.1339 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8701 -0.1365 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8541 -0.6485 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 2.3790 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9487 0.0863 -0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -0.8041 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 0.6652 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 -0.2251 2.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6151 0.5095 1.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 2.4361 0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.3417 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.3819 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -0.3488 3.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2911 0.9528 2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 1.8739 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4848 2.0196 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 3.4752 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$