56840762 -OEChem-04252412183D 37 39 0 0 0 0 0 0 0999 V2000 -7.2577 1.4685 -0.0850 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -0.0403 -2.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 -0.4949 0.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5563 0.4327 0.0261 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7935 -2.2386 -0.0088 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 1.1413 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.0300 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -0.4455 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 0.7043 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 0.0311 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 -0.9134 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9513 0.5284 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 -1.8105 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 0.4771 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2685 1.4070 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 -0.4394 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 0.1256 -0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1449 0.0739 1.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5073 -2.6574 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 1.8532 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 -0.1016 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 0.9286 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 1.7637 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6364 1.8035 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 -0.6147 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -0.6774 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 1.4298 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 0.7047 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 -2.2480 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 0.6091 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 2.1699 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1608 -1.1560 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5973 -0.1000 2.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 -3.7345 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7887 2.9209 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 0.1616 -2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 -0.6036 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 17 1 0 0 0 0 2 36 1 0 0 0 0 3 21 1 0 0 0 0 3 37 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 19 2 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 16 32 1 0 0 0 0 17 21 2 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 M END > 56840762 > 0.6 > 3 30 37 28 35 31 42 32 22 40 45 61 60 24 26 38 29 57 2 33 27 39 17 51 7 44 11 1 23 49 55 47 52 58 19 9 54 46 13 12 43 5 25 20 34 56 10 53 21 6 50 14 41 36 18 48 59 4 15 16 8 > 32 1 -0.18 11 0.31 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.08 18 -0.15 19 0.16 2 -0.53 20 -0.15 21 0.08 22 0.18 27 0.4 28 0.15 29 0.15 3 -0.53 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.45 37 0.45 4 -0.87 5 -0.62 6 0.14 7 0.37 8 0.1 9 -0.14 > 4 > 8 1 2 donor 1 3 donor 1 4 cation 1 4 donor 1 5 acceptor 6 10 11 15 16 20 22 rings 6 5 8 10 11 13 19 rings 6 9 12 14 17 18 21 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 54 > 0363523A00000003 > 71.4972 > 40.632 > 10299344 5 17749389256816838002 10411042 1 17978227490182986123 10638233 991 16950570999426644364 10835480 77 17988356070294864752 11315181 36 18260547857077618041 11524674 6 17775564247560058663 11545043 162 18202281454656450938 11796584 16 18343584066725300610 12236239 1 17676209090944279052 12390115 104 18200318698232717049 12596602 18 16587749745883105913 12616971 3 17095233735934948762 13533116 47 17916867902815162174 13914758 101 15769503036546251587 14251764 18 18113337526499857445 14840074 17 16660364792057892462 14848160 23 17203611505862533358 15042514 8 18193840581901617147 15183329 4 18410862040239761380 15348495 7 17988354992141359674 15537594 2 17675917690683191650 17093844 174 18411132562865114849 17844677 252 18340208591449614240 19489759 90 18202281407569903465 20281389 69 17967530164307075693 21033648 29 17631998836777714688 21267235 1 18335424629758877835 220451 1 17530963596525621050 22061861 79 17060342915943907236 2215653 11 17846221042308914814 23081809 10 17676766556403856842 23402539 116 18271518771721035045 23522609 53 17604733095882702612 23559900 14 18201715197462336000 29717793 49 17967818237281434974 3004659 81 18335144206996342356 3298306 158 18130791157079309166 335352 9 18410290324775268229 3545911 37 18341895177888155353 4015057 19 16486679381398398825 4073 2 18187646968303155562 4214541 1 18410572911451994145 44062 13 18270400615118312279 5104073 3 18337110197541545745 5385378 56 18268717117277760419 542803 24 17530683221034047184 559249 180 18409163320397205019 59682541 35 10809638020946569764 59755656 215 18272091560816712590 59755656 520 18408035213631449031 7226269 152 18202001019315209001 > 432.92 19.24 1.87 1.05 9.99 1.03 0.11 -4.34 0.91 -3.53 -0.01 2.27 -0.08 0.07 > 937.409 > 237.5 > 2 5 10 $$$$