6658 -OEChem-09042104343D 15 14 0 0 0 0 0 0 0999 V2000 -1.1444 -0.6878 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.5540 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4058 -1.5793 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2953 0.3757 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 0.8155 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 -0.3681 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 -2.0559 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -2.0563 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.5249 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.8806 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -1.3051 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7981 0.1974 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 0.1975 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 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 7 15 1 0 0 0 0 M END > 6658 > 0.4 > 1 2 > 9 1 -0.43 11 0.15 12 0.15 2 -0.57 3 -0.12 4 0.14 5 0.71 6 -0.3 7 0.28 > 2 > 1 1 2 acceptor > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001A0200000001 > 11.438 > 5.074 > 16714656 1 18268153235004887492 18185500 45 18341609386147701839 21040471 1 18122343746728810726 23552333 60 18341897363599267482 23552423 10 18261397680665577094 24536 1 18266442222986756052 29004967 10 18334299811450285043 5460574 1 9295021162592029795 > 132.32 2.96 1.44 0.59 1.18 0.1 0 0.26 0 -0.44 0 -0.03 0.01 0 > 245.586 > 84.5 > 2 5 10 $$$$