70695479 -OEChem-03292409353D 30 31 0 0 0 0 0 0 0999 V2000 -2.7302 0.3431 0.4815 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 2.4806 -0.9255 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7942 1.4129 1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 0.3778 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8031 -0.4784 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9516 2.7271 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0847 -0.5967 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 -1.4316 -1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 -1.4987 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.6119 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 0.4735 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -1.7032 0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0931 0.4680 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -1.7089 0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -0.6233 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6629 -0.6023 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -0.6068 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 1.5787 -0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7799 1.0419 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 1.6014 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8836 -0.4175 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9766 3.1398 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 3.4645 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5342 2.5866 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 -2.1208 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -2.2394 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 1.3251 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 -2.5569 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4629 -2.5586 1.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8053 -0.6427 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 2 18 3 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 3 0 0 0 0 M END > 70695479 > 0.6 > 1 > 24 1 -0.62 10 0.07 11 -0.15 12 -0.15 13 0.07 14 -0.15 15 -0.15 16 -0.07 17 -0.07 18 0.48 2 -0.56 21 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 0.14 30 0.15 4 0.17 5 -0.15 7 0.38 8 -0.15 9 -0.15 > 1 > 5 1 1 acceptor 1 2 acceptor 1 6 hydrophobe 6 1 4 5 7 8 9 rings 6 10 11 12 13 14 15 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0436BA3700000001 > 30.6655 > 25.372 > 10014705 185 18342174428356662793 10595046 47 18410852200306409263 10912923 1 18409722976057949843 11056379 131 17846216721925795391 12107183 9 17907574723062712779 12236239 1 18409727370373807687 12390115 104 16988013700312057851 12596602 18 18113060424459289745 12616971 3 18334571309376482498 13073987 5 18408040731936424139 13167372 99 18409729522094478696 13167823 11 18412257333217287287 13631057 29 17973722777172649051 13760787 5 18333445439391972982 13785724 45 17762336908193948282 13955234 65 17894623735198699242 14528608 73 18340204197787351372 15081414 286 17748829631353058548 17834072 33 18411695521487909998 17844677 252 18335708221320846595 18785283 64 15937837300206694732 20645477 56 17775287141171365475 20645477 70 18113609063402981778 21033648 29 16298375860205177239 21065198 48 18410290311341661871 2297311 6 16845299392702110607 23402539 116 18130779032264747543 23402655 69 18413388752531080030 23557571 272 17060068068238864749 23559900 14 17416973828781800334 268830 7 18186794755826915827 300161 21 18342730814924926562 3004659 81 18131071477168687694 3472631 163 18271812298218008677 34797466 226 16486413325365135056 4214541 1 18201433658366791315 474 4 17969222403339238476 5104073 3 17894910763182754986 542803 24 18412263938834342290 543368 44 18339642364145930613 57091435 61 18125714832791449872 573450 72 18272640230331350915 6327066 14 18196933267724329245 633830 44 18408886204860077910 7062679 6 18343024380530227841 77779 3 18411979156754127091 8272917 22 18410014291464345822 90127 26 18336841809161204915 > 360.47 14.39 2.29 1.03 1.15 1.37 -0.02 6.72 -0.17 -0.09 -0.14 -0.22 -0.08 -3.06 > 768.964 > 195.6 > 2 5 10 $$$$