6140507 -OEChem-03282406333D 38 39 0 0 0 0 0 0 0999 V2000 3.6086 4.7795 0.2409 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 -2.8454 0.3225 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 -2.5736 -0.3406 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0244 -0.3992 1.2128 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0186 0.7989 -0.7151 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 0.0061 -0.3134 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6791 1.2980 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1805 1.1456 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -0.1642 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 -1.3615 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1157 1.0609 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9253 0.4298 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -1.5043 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -2.5972 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6376 1.6187 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 1.6202 1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4153 0.3240 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 -2.7191 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7755 -3.8975 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4126 2.7746 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 2.7762 1.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -3.9237 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6528 3.3533 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 1.8747 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 1.8710 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 0.6016 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6151 2.1432 -0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6206 -0.8180 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7756 0.9744 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 -0.5890 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 -0.6454 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4569 1.1775 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 1.1803 2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 -4.8095 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8228 3.2135 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 3.2163 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -4.8703 0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9897 -0.4811 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 17 1 0 0 0 0 4 38 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 16 33 1 0 0 0 0 18 22 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 6140507 > 0.8 > 2 15 19 20 21 8 13 9 16 22 3 17 12 11 6 4 14 10 18 7 5 1 > 31 1 -0.18 10 0.01 11 0.03 12 0.06 13 -0.15 14 0.54 15 -0.15 16 -0.15 17 0.66 18 0.15 19 -0.14 2 -0.15 20 -0.15 21 -0.15 22 -0.15 23 0.18 28 0.4 3 -0.57 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.5 4 -0.65 5 -0.57 6 -0.87 7 0.37 9 0.07 > 6 > 8 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 6 donor 3 4 5 17 anion 6 10 13 14 18 19 22 rings 6 11 15 16 20 21 23 rings > 23 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 005DB25B00000002 > 58.0932 > 40.653 > 10165383 225 18263938789497998524 10411042 1 18050848810397351542 1100329 8 18412263965263574530 11582403 64 16340297082008911384 12035758 1 18338217307398842066 12107183 9 18192697064044461488 12532896 13 18125161790514631876 12730499 353 18337967795542451929 12788726 201 16607985935116561213 13004483 165 17111294014134202417 13140716 1 18337105786478263266 13533116 47 18412267208417446945 138480 1 18266740190595834781 13955234 65 18409735058201691977 14787075 74 18043822991283414346 14790565 3 17977107086984690221 14955137 171 18340489941693009446 15230672 131 18191871348434754844 15927050 60 18197218264056712478 17868525 174 18124034521120344545 17913733 40 18267317597704548233 18785283 64 18408601469928648040 19591789 44 18194128631771118270 21049683 271 18261406502945102532 21120745 212 17549562716557504150 21796203 349 17978825370250695915 2255824 54 18413108338226564903 23559900 14 18263354790690223533 23845131 108 18193832876307470091 266924 87 17764579211538977934 283562 15 17548127192078815719 3178227 256 18337966639652638202 3421961 26 18336829689301461641 350125 39 18337394945119428118 458136 41 18339081596304959821 57124632 79 18339634629020730289 59755656 520 18195244657511685692 6442390 28 18122632914008026157 6443956 14 18122905330798463277 7364860 26 18410572864180967117 77188 2 18122906421867726164 7808743 9 17833269001266433361 81228 2 17187578672003297576 > 445.34 8.91 6.14 0.99 19.05 3.12 0.05 -6.62 1.31 -9.39 0.25 -0.04 -0.6 0.16 > 938.703 > 250.1 > 2 5 10 $$$$