7970 -OEChem-03112018503D 14 14 0 0 0 0 0 0 0999 V2000 1.1215 -1.2018 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.0030 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 1.2081 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 -0.0443 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2301 -1.1694 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 -0.0052 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 2.1507 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8828 0.8100 -0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8358 -0.9500 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -0.0253 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 -2.1454 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 2.1478 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8347 -0.0537 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 M END > 7970 > 0.4 > 1 > 11 1 -0.62 12 0.15 13 0.15 14 0.15 2 -0.14 3 -0.15 4 0.14 5 0.16 6 -0.15 7 0.16 8 0.15 > 0 > 2 1 1 acceptor 6 1 2 3 5 6 7 rings > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001F2200000001 > 15.861 > 10.148 > 18185500 45 18341890792420584543 20096714 4 18339361988569739976 21040471 1 18194401323318006532 23552423 10 17829059718831096142 29004967 10 18334018284918175057 > 139.08 2.44 1.4 0.6 1.03 0.01 0 -0.03 0 -0.33 0 0.01 -0.02 0 > 283.689 > 80.6 > 2 5 10 $$$$