1502041 -OEChem-03282414193D 17 17 0 1 0 0 0 0 0999 V2000 -1.2437 1.5113 0.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9218 0.1217 -1.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 1.1717 -0.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -0.7667 0.3937 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4782 -0.6849 0.7157 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0619 -1.8535 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5242 0.1789 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 0.3215 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 -1.0170 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.8726 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 -2.8070 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 -1.9393 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 0.6644 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 -0.4148 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1394 0.7292 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 1.7271 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 2.1971 0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 M END > 1502041 > 0.4 > 1 6 5 3 4 2 > 15 1 -0.65 10 0.1 11 0.1 12 0.1 15 0.36 16 0.36 17 0.5 2 -0.57 3 -0.99 4 -0.19 5 -0.1 6 -0.2 7 0.37 8 0.72 9 0.1 > 2.6 > 5 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 3 1 2 8 anion > 8 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 0016EB5900000001 > 15.471 > 25.427 > 137420 1 16542650200909168762 18185500 45 17836923404264405817 20096714 4 18264215720424968770 21040471 1 18334866021357769302 23552449 1 17908427201182676468 24536 1 18192147092779672291 29004967 10 17324095736383523259 5084963 1 17676783014660532238 > 147.92 2.42 1.59 0.88 0.64 0.29 0.06 -1.17 0.38 0.11 -0.16 -0.2 -0.03 -0.11 > 289.659 > 90.1 > 2 5 10 $$$$