56846685 -OEChem-04182423003D 37 39 0 0 0 0 0 0 0999 V2000 -6.4423 -0.8746 0.1230 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8398 -0.4321 2.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1241 -0.6952 -0.3602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 0.6011 -0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 -1.9167 -0.0779 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 1.1979 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 0.0787 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7172 -0.2244 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.6938 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 0.3103 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 -0.5843 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 0.3599 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 -1.5969 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 0.5609 -1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2262 1.6954 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3816 -0.0527 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1978 -0.1070 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1727 0.0942 -1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 -2.3925 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5197 2.1998 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -0.2398 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5983 1.3243 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6514 1.7727 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6312 1.9195 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 -0.4557 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.6305 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 1.6046 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3798 0.4618 1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5685 -2.0778 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 0.8159 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 2.4215 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6624 -0.0051 -2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -3.4725 -0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 3.2705 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 1.7088 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2401 -0.2772 2.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4047 -0.7215 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 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 17 21 2 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 22 35 1 0 0 0 0 M END > 56846685 > 0.6 > 2 33 41 50 1 12 49 39 34 44 15 7 31 36 62 46 16 60 57 47 30 11 29 28 19 22 9 61 37 40 3 58 8 27 54 51 42 45 10 55 35 5 13 32 43 48 23 56 24 52 14 26 38 20 4 17 59 25 18 21 6 53 > 32 1 -0.19 11 0.31 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 0.19 17 0.08 18 -0.15 19 0.16 2 -0.53 20 -0.15 21 0.08 22 -0.15 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 > 0363695D00000002 > 70.6322 > 40.632 > 10 15 17632284701975918720 10299344 5 18040155102698295314 10411042 1 18051694640937161415 10638233 991 17095535010563565452 10912923 1 17967816072011386252 11315181 36 18260270771847679789 11405975 8 18339078293285192360 11488393 25 13768746981869730568 11524674 6 17561645459982967215 11545043 162 18130505318357218722 11646440 116 17846787312161494313 11796584 16 18342742910370769606 12107183 9 17612020486978388328 12236239 1 17821730541538949917 12390115 104 18129673985273719761 12616971 3 17458059370244934154 13533116 47 16950278478215839872 14251764 18 18186803591170853116 14848160 23 17203330013726974646 15042514 8 18194968667988887919 15183329 4 18260267442952327558 15250474 111 18188200000739850890 15348495 7 17845927541603129986 15419008 47 17489868215714470328 15537594 2 17603864490602620082 15799311 1 16877953719515487962 17844677 252 18341900718227662520 1813 80 16950287269507466902 19489759 90 18202565072995830649 20281389 69 18113899364210230341 21033648 29 17060327505501042232 21267235 1 18335708282167677131 21315763 178 17967525775551450050 220451 1 17821730537760791362 22061861 79 16917355813886938980 23081809 10 17894915135111373364 23402539 116 18343861130680713445 23522609 53 17677638404774729260 23559900 14 18271522116889025232 3004659 81 18334018298436242140 351380 3 17603580825050092056 3545911 37 18272091582328426679 4015057 19 16558171813669985785 4073 2 18042410295652117834 4214541 1 18411983567732896013 44062 13 18270964656030317663 5104073 3 18339083812328756737 5385378 56 18127986221623424043 542803 24 17603588529862796300 559249 180 18409166597462325199 573450 72 18335134319242934098 59755656 215 18272093747430008502 59755656 520 16950285122329780435 7226269 152 18131071511095727897 9965369 4 18409165476517916179 9981440 41 18410017615943223659 9995097 60 18060140929281712950 > 423.78 18.12 1.79 1.06 12.2 0.35 -0.16 0.24 -1.44 -3.23 0.03 2.27 -0.01 -0.46 > 930.042 > 229 > 2 5 10 $$$$