65434953 -OEChem-03292411413D 38 39 0 1 0 0 0 0 0999 V2000 -2.9302 2.3304 1.1406 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 -1.7506 -1.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 1.9006 -1.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.2052 0.0593 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -0.8725 2.1515 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 -0.8567 0.6770 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7507 0.0031 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4107 -0.2960 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 0.5083 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 1.1065 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 -2.3123 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 1.6117 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 1.9106 -1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 0.3145 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0948 0.8858 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 -0.9845 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 1.0811 0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 -1.5171 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 0.5485 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 -0.7506 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 -3.0661 -1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8053 -0.4660 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -1.1523 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 1.3536 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7701 -2.3481 -0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6074 -2.8917 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 -2.8196 0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0226 2.2806 -1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 2.7695 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.6165 0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.0673 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5669 -1.4574 2.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 -2.5167 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1667 1.1453 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7852 -1.1642 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 -3.5305 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 -3.0464 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 -3.6857 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > 65434953 > 0.8 > 10 39 26 23 14 29 20 32 33 37 25 19 9 21 40 31 36 18 24 5 22 43 17 6 45 28 13 42 7 35 34 30 11 2 38 12 8 44 15 4 41 1 16 27 3 > 30 1 -0.19 10 -0.15 12 -0.15 13 -0.15 14 0.09 15 0.54 16 0.08 17 0.19 18 -0.15 19 -0.15 2 -0.36 20 -0.15 21 0.28 23 0.15 24 0.15 28 0.15 29 0.15 3 -0.57 30 0.37 31 0.36 32 0.36 33 0.15 34 0.15 35 0.15 4 -0.55 5 -0.99 6 0.41 7 -0.14 8 -0.15 9 0.12 > 5 > 7 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 cation 1 5 donor 6 14 16 17 18 19 20 rings 6 7 8 9 10 12 13 rings > 21 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 03E675490000000A > 67.926 > 35.521 > 10616163 171 18198913684673834887 11578080 2 18191841600404826389 12107183 9 18049168761051476784 12236239 1 18334863844299993305 12553582 1 17968369057857114722 12633257 1 17632027441449816297 13167823 11 18408606967740033394 13533116 47 18261117421396590169 13551218 46 18410578353423919747 13583140 156 17203030920973699090 13675066 3 17632577106995667620 14420673 8 18053392002652505390 14739800 52 17916020347102279152 14849402 71 18266739281097672184 15238133 3 17631744785025244864 15250474 111 18341044237403601558 15375358 24 15482672377071829026 15537594 2 18261683665716528086 17780758 139 18270953532402131328 17818456 19 18271250391762175256 1813 80 17676214541627036854 19050596 39 18411983580638760488 19377110 9 18336540638139896568 19422 9 18335989734904874605 200 152 17748543753507315505 20281475 54 18339077193725760510 20554085 129 17631446753730148217 20645477 70 17095238146834758744 21065198 48 18409175419299056705 22646028 1 18408323297866326816 23175994 123 16226052227830566613 23366157 5 17909265033481369617 23503953 91 18343862221238208112 23559900 14 17489316299842904184 23596394 208 14707197804323012176 23598288 3 18335415747217961837 2838139 119 12749307284581855483 312423 11 18113911446069051060 351380 3 18186519878590261746 5104073 3 18335706052294180913 5281201 14 16443061716490944166 559249 180 18335134237833792771 573450 72 18342740727883402161 5924683 9 17417234546302817191 602551 16 17845937436960080806 633830 44 16877941641961943020 7064713 232 18202285779514353299 7970288 3 17821722806582984306 9981440 41 17326895578520125392 > 403.2 11.44 2.55 1.34 4.06 0.94 -0.2 3.62 -4.02 -0.18 0.86 0.31 0.18 -2.4 > 860.217 > 224.8 > 2 5 10 $$$$