7737 -OEChem-03292402203D 16 16 0 0 0 0 0 0 0999 V2000 3.5997 -0.6708 -0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 -0.2654 -0.7254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 0.4029 -0.1441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7755 -0.1659 0.3595 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 0.2589 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5298 1.3883 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 -1.0130 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 -0.0258 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.2460 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -1.1552 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 2.3846 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.9086 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 2.1378 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 -2.1546 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 1.3237 -0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 -0.6044 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END > 7737 > 0.4 > 1 4 2 3 > 16 1 -0.38 10 -0.15 11 0.15 12 0.15 13 0.15 14 0.15 15 0.4 16 0.4 2 -0.16 3 -0.52 4 -0.14 5 0.1 6 -0.15 7 -0.15 8 0.3 9 -0.15 > 2 > 2 1 1 anion 6 5 6 7 8 9 10 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 00001E3900000001 > 30.1771 > 10.148 > 10219947 1 18412829100685176642 11062470 55 14345796045591153454 11206711 2 18335140843235291373 12032990 46 18409739473021987507 12897270 3 18408602556687249093 14325111 11 18410576197128349288 16945 1 18409736170186563320 193761 8 17689154504626408363 21040471 1 18121218946228263345 21293036 1 18334856147001083173 23235685 24 18408601474223621697 23402655 69 18194384621213995157 23552423 10 18045227041935789250 2748010 2 18049447237950610042 29004967 10 18334020501211009601 369184 2 14979958038786442642 5084963 1 18344146990222823728 > 184.09 4.46 1.3 0.65 0.63 0.18 -0.01 -0.79 -0.67 0.12 0.05 -0.18 -0.01 -0.03 > 382.142 > 105.6 > 2 5 10 $$$$