56840686 -OEChem-04232418533D 52 55 0 0 0 0 0 0 0999 V2000 -4.0218 4.1835 0.2905 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 2.0091 1.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 -0.9956 0.6157 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3319 0.7201 1.7058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0448 -1.0245 -0.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1457 -2.4842 0.5977 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 0.7239 -0.4125 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -1.1613 -1.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2058 -0.2332 0.8997 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7809 -2.3130 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.9600 -1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 -2.5471 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4101 -1.1954 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1172 -0.8038 -1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0739 -2.7067 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 -0.3917 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 -2.7147 1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 1.0451 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -0.8959 -0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6249 0.1553 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 1.6168 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 0.3794 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -1.7269 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 1.8363 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 2.2645 -1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9429 -0.4560 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 -1.5081 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4255 2.7029 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 3.1311 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 3.3504 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7645 -2.3372 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8624 -3.1410 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6164 -1.6999 -2.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6438 0.0288 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -1.8059 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5506 -3.5366 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4138 -1.1677 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3372 -0.3679 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 -1.7035 -2.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4575 -0.0174 -2.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 -3.6850 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -1.9539 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 -1.7117 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6438 -3.3589 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1633 -3.1058 2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 1.2069 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 -2.5551 -1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9291 1.3303 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 2.1374 -2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -2.1801 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8305 2.8715 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 3.6416 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 18 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 16 2 0 0 0 0 8 19 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 24 28 1 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 2 3 -1 9 1 M END > 56840686 > 0.8 > 1 13 10 11 16 14 6 9 2 4 5 3 12 15 8 7 > 36 1 -0.19 10 0.27 11 0.27 12 0.27 13 0.27 14 0.33 15 0.27 16 0.45 18 0.54 19 0.18 2 -0.57 20 0.09 21 0.12 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.13 27 -0.15 28 -0.15 29 -0.15 3 -0.52 30 0.19 4 -0.52 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.81 50 0.15 51 0.15 52 0.15 6 -0.81 7 -0.24 8 -0.63 9 0.91 > 6.2 > 10 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 5 cation 1 6 cation 6 19 20 22 23 26 27 rings 6 21 24 25 28 29 30 rings 6 5 6 10 11 12 13 rings 6 7 8 16 18 19 20 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 036351EE00000001 > 100.6768 > 50.859 > 10290309 65 17988365871621393350 10688039 33 18337399339456475827 11135609 12 18409166644680793288 11646440 116 18262811782001283587 12422481 6 17986420861410701851 12633257 1 16773242910749593083 12788726 201 18263378017044736995 13004483 165 18264776626279931803 13140716 1 17911226536613280126 13540713 4 18058460798432108542 17980427 23 14692298386932892459 20642791 268 16558479693746760155 21033648 29 17488157376005921216 21049683 118 17908117920693668097 21236236 1 18271237236176945332 21756936 100 13686296894104090798 22182313 1 17774730766506764012 23845131 108 17905052448385226785 25269216 80 18263667129608054606 2747138 104 18339082704765257682 3380486 145 17983560082315391341 3418910 222 18187367688345682580 350125 39 18272927263143565412 4073 2 18340484457758003834 4340502 62 17911248222088215421 4409770 3 18411127027369630079 469060 322 17748832886373512613 484985 159 18113330895524371131 5104073 3 18269542868106782114 56638632 10 16269650140083239792 6086070 43 18118106187010973455 9981440 41 17773015484996059302 > 567.6 13.3 4.17 1.57 13.6 3.14 -0.1 -9.15 6.75 -8.06 0.79 -0.23 -0.2 2.1 > 1232.261 > 311.3 > 2 5 10 $$$$