6680 -OEChem-03192401023D 40 43 0 0 0 0 0 0 0999 V2000 -1.9665 -3.7795 -0.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 2.0087 0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8359 -2.0079 -0.2682 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6673 0.3889 0.5853 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6713 -0.3390 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -1.3865 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -0.6171 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 1.3433 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 0.2958 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 1.0642 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0181 -1.1074 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 -2.7120 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 -1.9395 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 -2.9847 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 2.6688 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8383 0.5738 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 0.4495 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3741 2.9415 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 1.8963 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9059 1.2226 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 -0.2634 -0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 0.5697 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 1.2827 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -0.2034 -1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 0.6347 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -2.1949 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 1.2111 1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 -4.0115 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 3.5032 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5673 -0.2220 -0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7222 3.9701 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3367 2.1114 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5393 1.7820 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8692 -0.8534 -1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 1.8870 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2471 -0.7601 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -3.4854 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3499 0.5222 -1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6291 1.5999 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7433 -0.1606 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 37 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 2 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > 6680 > 0.6 > 1 3 4 2 > 37 1 -0.53 10 0.4 11 0.4 12 0.08 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.1 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.14 23 -0.15 24 -0.15 25 0.14 26 0.15 27 0.4 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.45 4 -0.6 5 0.09 6 0.09 7 0.1 8 0.09 9 0.09 > 2 > 9 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 cation 1 4 donor 6 17 20 21 22 23 24 rings 6 5 6 7 12 13 14 rings 6 5 6 8 9 10 11 rings 6 8 9 15 16 18 19 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 12 > 00001A1800000001 > 96.3352 > 45.713 > 10165383 225 18337674113767909149 10319926 262 18269251604862401744 10411042 1 17761212515694006291 10498660 4 18411416180993887912 105312 117 18335137574717368630 10670039 82 18408036321046968756 107951 10 18411983550563914519 10835480 77 18201999967665633504 11135609 187 18264194822117121661 11578080 2 17170378625500752749 12107183 9 18189886519081239202 12236239 1 17603864529410189408 12293681 160 18059855013366925513 12390115 104 18342465807248545897 12403259 415 18201437021479249712 12422481 6 16951123941736812597 12788726 201 17681570451665912170 13140716 1 17903076977823984675 13402501 40 18273215318073132784 13540713 5 18192412114153974995 138480 1 17402327075658950603 14790565 3 18196374706551913521 14840074 17 17313394426149878652 15042514 8 18192717971538614899 15183329 4 18339929221586854246 15196674 1 18410290285387215867 15575132 122 17894910676777662853 15629462 23 16844183255261291608 16087824 20 18411132555858144999 17980427 23 17386017173522461629 18608769 82 18338523040314124691 200 152 16056609763654806746 21033648 29 18342449370345673760 21236236 1 18412544340422526915 21267235 1 18338519763486036731 21279426 13 18342182111974300734 21796203 349 16970864406425972667 22122407 14 15646770093776468935 22182313 1 18267045919432642715 23227448 37 18339641247407025964 23366157 5 17826512154605528363 23402539 116 18412259567042704604 23557571 272 18271813466554237660 23559900 14 18272369802527152464 25147074 1 18189035556298603642 283562 15 18411133675984850523 293599 30 18410011013918547601 3004659 81 18336550409644071398 3103668 31 18192699267536647351 3298306 158 18202566159839250622 350125 39 18119243961573331642 4073 2 18261958552983617842 474 4 17749116555936086476 5104073 3 18189337858241126449 5283173 99 18341332279669669912 5486654 2 18411416194184920173 59755656 215 18341615876481388446 59755656 520 18334571326635427590 6327066 14 18261387789804690589 7288768 16 17967534549790399467 7808743 9 18408319999463357880 9709674 26 18199747123499220136 9981440 41 18261114058458803507 > 491.9 13.29 3.39 0.84 16.26 2.1 0.03 -8.86 3.09 -4.24 -0.17 0.82 -0.1 0.41 > 1110.442 > 256.7 > 2 5 10 $$$$