60156249 -OEChem-04262411273D 51 54 0 0 0 0 0 0 0999 V2000 1.8766 1.9853 1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 -0.7148 -0.7537 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 -2.0563 0.5255 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 0.8475 -0.3393 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 -1.0671 -1.4965 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2899 -0.4947 1.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8546 -2.0381 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3923 -0.5347 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8575 -2.2348 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 -0.7327 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -0.5295 -1.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -2.2432 1.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 -0.2341 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6205 -2.1312 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 1.0596 0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -0.9114 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 0.0969 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6174 1.8140 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9656 0.2110 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 -1.8111 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 2.0324 1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 2.5333 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9812 -0.6920 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -1.7021 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 2.9702 1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 3.4711 -1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 3.6895 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2552 -0.5832 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8479 -2.1490 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -2.8360 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 -1.2353 -2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5221 0.4791 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 -1.5331 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 -3.2490 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -0.6185 -0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 0.0654 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 -1.4166 -2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 0.2997 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0601 -3.2471 2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 -1.5252 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9105 -1.0973 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7859 -2.7375 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3067 -2.4972 1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 0.9998 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -2.6078 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 1.4715 1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 2.4063 -2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5344 -2.4150 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 3.1380 2.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 4.0370 -1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4362 4.4202 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 28 3 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 22 26 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > 60156249 > 0.8 > 1 11 2 19 17 21 7 13 15 3 5 16 10 6 9 12 8 4 18 14 20 > 35 1 -0.57 10 0.27 11 0.33 12 0.27 13 0.45 15 0.54 16 0.18 17 0.09 18 0.12 19 -0.15 2 -0.81 20 -0.15 21 -0.15 22 -0.15 23 0.07 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.48 3 -0.81 4 -0.24 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.63 50 0.15 51 0.15 6 -0.56 7 0.27 8 0.27 9 0.27 > 5.2 > 8 1 1 acceptor 1 2 cation 1 3 cation 1 6 acceptor 6 16 17 19 20 23 24 rings 6 18 21 22 25 26 27 rings 6 2 3 7 8 9 10 rings 6 4 5 13 15 16 17 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 0395E95900000001 > 89.6876 > 40.628 > 10290309 65 17988081080993220662 10674148 151 14851595605673923519 10688039 33 18408891762932250589 11135609 12 18409729573280762440 11646440 116 18336277829001650155 12422481 6 17915486951023594875 12633257 1 16630251406430007803 12788726 201 18336280010385495868 13004483 165 18337396044900068315 13140716 1 17984126335114896494 13540713 4 17986681363845958286 14790565 3 17405142314673164057 15420108 30 17128174163077675572 15885798 251 18337399335014081803 17980427 23 14548740638361947515 20642791 268 16415205614838713593 21033648 29 17345448446153841730 21236236 1 18270954649062148212 21756936 100 13758350090190362078 22182313 1 17703233906298312356 23845131 108 17691417313243815385 3380486 145 18060411439676253349 350125 39 18273207621571203984 4073 2 18268988696987249114 4409770 3 18337377271993773693 469060 322 17967824799158130333 5104073 3 18199175197686889786 56638632 10 16198151080798674736 57527295 17 17978471362256161263 6009941 240 17968086513596811447 6086070 43 18189599705803245735 9981440 41 17557684894508502270 > 545.45 12.86 3.81 1.59 10.46 3.3 -0.09 -10.74 6.86 -5.78 0.56 -0.18 -0.11 1.71 > 1181.665 > 296.1 > 2 5 10 $$$$