15684 -OEChem-03282418593D 16 16 0 0 0 0 0 0 0999 V2000 -1.3005 2.3434 0.1005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 0.1087 -0.2705 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -0.6984 -0.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 -0.3430 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3459 -0.5355 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 0.9253 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0548 -1.4714 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 1.0653 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -1.3314 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -0.0630 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 -1.4379 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 0.2856 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.4665 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 2.0539 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 -2.2196 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.0715 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 M END > 15684 > 0.4 > 2 4 3 1 > 14 1 -0.18 10 0.18 13 0.15 14 0.15 15 0.15 16 0.4 2 -0.18 3 -0.68 4 -0.14 5 0.42 6 0.18 7 -0.15 8 -0.15 9 -0.15 > 1 > 3 1 3 acceptor 1 3 donor 6 4 6 7 8 9 10 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00003D4400000002 > 22.5095 > 15.223 > 11206711 2 18409452461943169908 12032990 46 18337683030077622850 12897270 3 18410292518770053863 14325111 11 18337958892101399948 16945 1 18409453608810058042 193761 8 17977386036208920162 21040471 1 17833552297355840928 21501502 16 18192992621558538762 23402539 116 18340759412393954870 23402655 69 18266443340432893981 23552423 10 18117563916201086066 2748010 2 18194408783897700414 29004967 10 18335145322954531843 5084963 1 18202568384278316600 528886 8 18410854378044518187 68250623 7 18122908629285990730 > 203.67 4.13 1.89 0.71 1.69 0.81 -0.03 -0.28 -0.64 -0.8 0.08 -0.18 -0.05 -0.17 > 403.335 > 123.7 > 2 5 10 $$$$