67869563 -OEChem-03282408053D 39 41 0 0 0 0 0 0 0999 V2000 -1.6820 -0.6031 1.9164 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 1.6263 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -0.0834 -0.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1377 2.5901 0.4043 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 -2.2542 0.9343 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -1.4680 -0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5488 -1.8917 -1.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 0.9339 -1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -1.7989 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 2.3091 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 0.2338 1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 1.6898 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 -0.7871 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 -1.0966 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1297 -2.6862 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 0.3656 -1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -0.3077 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 0.8308 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 1.1642 -1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0523 1.2332 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6873 -1.5977 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8967 -2.1125 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 -2.9302 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4575 -1.2902 -2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.9635 -1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9618 0.6270 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2974 3.0577 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 2.3628 0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0726 1.8556 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 1.8855 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 3.5519 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -3.5853 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 -2.7174 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1211 0.6399 -2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -0.6191 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 2.0530 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8565 1.9761 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 0.2668 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 1.2505 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > 67869563 > 0.8 > 1 13 7 20 26 17 23 10 31 33 24 38 5 30 3 28 32 19 12 34 11 36 4 27 15 9 21 37 2 22 35 16 29 6 14 25 18 8 > 25 1 -0.57 10 0.27 11 0.57 12 0.33 14 -0.15 15 -0.3 16 -0.15 17 -0.15 18 0.08 19 -0.15 2 -0.36 20 0.28 3 -0.66 31 0.36 32 0.15 33 0.27 34 0.15 35 0.15 36 0.15 4 -0.9 5 0.03 6 0.3 7 0.18 8 0.3 9 -0.18 > 5 > 9 1 1 acceptor 1 2 acceptor 1 4 cation 1 4 donor 1 5 cation 1 5 donor 5 5 9 13 14 15 rings 6 13 14 16 17 18 19 rings 6 3 4 8 10 11 12 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 040B9B7B00000001 > 43.6093 > 45.762 > 11370993 144 14490458773694777132 11370993 70 18335413530703704224 11640471 11 18200306594423500173 121448 382 18342736364138626730 12403259 327 15647058152975434157 12633257 1 16081094770212560188 128993 33 18053135889188060841 13134695 92 17398394126571167231 13693222 7 18270690770387036159 14142880 1 18407757045447318477 15209294 21 18410002265581894524 15775835 57 18342462538519678139 16945 1 18117292543082368862 18981168 100 17985569787412285503 192875 21 17969218009202728909 20510252 161 18269274723732618135 20715895 44 17617081522565600533 20739085 24 17822287930311374886 21524375 3 18341338872064719510 23402539 116 17772467034799787311 23419403 2 14237935763721062747 23557571 272 17345193504736441095 305870 269 18334860485129353894 568465 68 15068618301369304946 5939293 188 17184467616748229645 9981440 41 18335413560910627955 > 384.91 6.73 2.84 1.45 5.69 0.29 -0.2 -4.81 -0.51 -1.14 -0.18 -0.53 -0.1 -0.54 > 826.754 > 212.6 > 2 5 10 $$$$