1382782 -OEChem-03292407403D 37 39 0 0 0 0 0 0 0999 V2000 3.2407 2.9320 0.1511 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9484 -2.1170 -1.1207 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 -0.8571 1.3543 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5183 -2.0605 2.6974 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -0.4864 -2.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 0.5970 0.4106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 -1.2639 0.0639 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -0.8638 -0.2921 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0898 2.0434 0.3643 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -1.6515 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 -0.7111 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.4174 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 -1.4302 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 0.1184 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 -0.4917 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 0.4331 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 1.6929 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2006 -0.5334 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -0.0696 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 1.9911 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4634 -0.2351 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7183 1.0271 0.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3296 -0.5959 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0156 1.2316 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4583 0.2087 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2864 1.5095 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 -1.9124 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9903 -2.5218 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 0.3653 -2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -1.8144 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9269 2.9694 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2606 -0.9742 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7015 1.2592 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4323 -1.6202 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 1.7349 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4416 -0.1706 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1350 2.1776 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 2 0 0 0 0 5 11 2 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 30 1 0 0 0 0 9 24 1 0 0 0 0 9 26 2 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 25 2 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M END > 1382782 > 0.8 > 1 8 10 12 6 4 7 9 11 5 2 3 > 35 1 -0.18 10 0.36 11 0.62 12 0.12 13 0.58 14 -0.18 15 0.57 16 0.03 17 0.18 18 0.18 19 0.12 2 -0.18 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.16 25 -0.15 26 0.16 29 0.15 3 -0.24 30 0.37 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.38 5 -0.57 6 -0.57 7 -0.42 8 -0.55 9 -0.62 > 5.4 > 8 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 8 donor 1 9 acceptor 5 3 7 11 12 13 rings 6 16 17 18 20 21 22 rings 6 9 19 23 24 25 26 rings > 26 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 0015197E00000001 > 68.9471 > 40.598 > 10 15 15285362825150312031 11089746 13 18335700563425767519 11135609 127 17774993643980359112 11315621 136 12102975969899937557 11524674 6 15213021561887518305 11646440 116 17822016406294276525 11719270 70 16988562368745411470 12236239 1 18334292050872064599 12516196 113 9079114453602389911 12623949 98 7997427043659025632 12977781 61 18196961978621101263 13167372 99 18343303647682699804 13533116 47 18040992887366778282 13631057 29 17968661648869064515 13668630 136 11671774971559509973 13692114 37 17749956686253280195 13911987 19 15841275938413245846 13914758 101 18343586214023981594 13968360 50 16773801363761564614 14556957 393 15123243181329888993 14767858 380 15051737494726071018 14933364 13 18341896290268776421 15183329 4 17988929954817666248 15238133 3 18260835942642240796 15419008 145 18263351517793632920 17913733 40 17313376817010733331 1813 80 12175627282429853435 18222031 100 12607405490020334034 18335252 114 18343293752315543853 20157964 124 18131636673257675006 20281389 69 18408886213776566477 20511986 3 17131541843483345078 20715895 44 18273498987741026572 21033648 29 17822015366737845016 21403212 168 17603296051079646698 21424621 283 18334295370401457515 21641784 216 15913064109094810657 21781051 124 14996574945475401466 22224240 67 17313101964831297563 22956985 138 15070844679582991234 23536379 177 18273496766768466894 23576562 1 16199009790299863377 24893992 56 18186519938962228305 25223398 141 16844152636323368327 2838139 119 18271803562059355973 3009799 131 15913325801557780002 3178227 256 15647057066538112468 3633792 109 17560810892556562974 4073 2 18261678180964734762 4093350 32 18335419019856915138 4098825 35 18131349704907126879 4325135 7 18201435887924342621 4340502 62 17676487245922072962 465052 167 12829484844772704378 5104073 3 16371578153380076976 5385378 56 17458339702417901778 54039377 194 13262940899092504240 5758199 1 17894912919256362931 5969126 39 13182748021654982123 59755656 520 17967245429655987131 999808 66 10591753325694903749 > 519.82 20.06 2.35 1.44 20.63 0.76 -0.5 10.03 1.56 -1.37 -0.77 -0.53 -0.97 0.82 > 1082.961 > 298 > 2 5 10 $$$$