2360 -OEChem-03292407553D 20 19 0 1 0 0 0 0 0999 V2000 1.4314 1.5508 -1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 1.2342 0.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -1.5999 -0.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6746 0.0272 -0.6222 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 1.4877 0.7193 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -0.1987 0.7621 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0055 -1.4728 -0.0863 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.6766 -0.2542 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7938 -1.0034 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 0.7808 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 -0.5765 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 0.4472 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3615 -0.9057 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2282 -0.8005 1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 -2.0619 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4054 0.6924 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -1.3273 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 -2.4642 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7143 2.4901 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4162 0.6690 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 12 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 M END > 2360 > 0.6 > 3 24 10 14 23 25 8 21 6 12 16 2 26 18 7 4 17 19 1 27 20 9 15 13 11 5 22 > 17 1 -0.65 10 0.66 11 0.63 12 0.72 16 0.37 17 0.36 18 0.36 19 0.5 2 -0.57 20 0.5 3 -0.57 4 -0.65 5 -0.57 6 -0.73 7 -0.99 8 0.33 9 0.3 > 5 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 donor 1 7 cation 1 7 donor 3 1 2 10 anion 3 4 5 12 anion > 12 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 0000093800000003 > 9.128 > 50.873 > 10857977 72 14562825343374208891 12162725 195 18342738494363219097 12897270 3 18130790130412624722 12932764 1 17988089996701098682 13618510 140 18188218700789678004 14325111 11 18412827967114458465 14390081 3 18410576201497098289 14897335 6 18411412942630504298 15775835 57 18412833494516186089 18186145 218 18260833665718470011 19973954 147 18261684773501540034 20653085 51 18339935813670544427 20711983 171 17988929925043279085 230 275 18186522115835465800 23552423 10 18410852153146333931 305870 269 18040707074240658626 3248919 1 18334292101847014019 63268167 104 18260831496601859776 9939556 21 18413670201416499902 > 207.65 5.49 1.6 0.86 1.37 0.11 -0.02 0.93 0.43 -0.58 0.1 0.06 0.05 -0.39 > 405.261 > 123.3 > 2 5 10 $$$$