19419178 -OEChem-03292406443D 20 20 0 0 0 0 0 0 0999 V2000 -3.7452 0.3131 0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 1.0440 -0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -0.3465 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 -0.2137 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 0.2624 1.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 0.2574 -1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -1.3565 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4987 -1.1983 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 1.1582 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 0.0797 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 -1.4130 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 1.3437 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8773 0.0879 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 -0.1871 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 1.3385 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 -0.1959 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 0.0831 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 -2.3514 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 -2.0785 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 2.1809 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 M END > 19419178 > 0.4 > 1 3 2 > 11 1 -0.18 10 0.18 18 0.15 19 0.15 2 -0.62 20 0.15 3 0.14 4 0.17 7 -0.15 8 -0.15 9 0.16 > 1 > 3 1 2 acceptor 3 3 5 6 hydrophobe 6 2 4 7 8 9 10 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0128502A00000001 > 19.5661 > 15.223 > 10857977 72 18339918311446691555 11062470 55 16845569825064539761 12932741 1 17632583789848709670 12932764 1 17917710179997518791 14325111 11 18410575059204537473 14993402 34 18187373133455923413 15310529 11 16587739849940416893 15775835 57 17676497176165815404 16945 1 18410573989683795271 18186145 218 17703511008655592673 19026448 4 16343702136428452615 19026448 5 16298386864196017795 20645464 45 17989197175014244746 20645476 183 17749965456338640302 20653085 51 16271941367348282099 21040471 1 18338516339705888390 21293036 1 18410299124693440957 23235685 24 18410011022555773127 23402655 69 18195229041991558685 23552423 10 17826236481881168900 2748010 2 18123467447670452589 29004967 10 16415481558177219138 369184 2 18271795830959590938 5084963 1 18263084310238609122 > 202.68 5.07 1.21 0.94 1.25 0.17 0 -0.74 0 0.35 0 -0.9 -0.09 0 > 402.288 > 122.2 > 2 5 10 $$$$