227541 -OEChem-12282222103D 15 15 0 0 0 0 0 0 0999 V2000 0.5262 -1.4123 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7226 1.5165 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 0.6062 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.6446 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8825 -1.3817 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 1.3120 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -0.7315 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 -2.4646 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4653 -1.1374 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4655 -1.1370 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 2.3900 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6382 1.0889 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 2.5255 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 -1.3233 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 15 1 0 0 0 0 M END > 227541 > 0.4 > 1 > 12 1 -0.62 12 0.15 13 0.4 14 0.4 15 0.15 2 -0.9 3 -0.62 4 0.17 5 0.1 6 0.14 7 0.16 8 0.47 > 0 > 5 1 1 acceptor 1 2 cation 1 2 donor 3 1 3 8 cation 6 1 3 4 5 7 8 rings > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000378D500000001 > 28.5828 > 25.371 > 18185500 45 18409446977190661842 20096714 4 18266459797887436240 21040471 1 18194401091442559040 23552423 10 18260553307649657550 29004967 10 17974571595716388835 > 149.69 2.32 1.76 0.58 0.14 0.25 0 -0.3 0 0.4 0 0.01 -0.01 0 > 307.658 > 84.2 > 2 5 10 $$$$