66878710 -OEChem-03282419023D 42 43 0 0 0 0 0 0 0999 V2000 1.9926 2.8178 -0.8104 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9129 -1.7218 -0.7189 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 0.3905 -0.0614 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -3.1994 0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 1.1362 0.5502 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 3.3059 -0.3605 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7488 -0.9252 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9844 -1.8928 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1303 0.6591 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8393 1.2939 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 1.3445 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -4.1260 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 2.4042 0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0582 2.2925 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 1.3094 0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 -5.4930 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 1.3374 -0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 0.2575 1.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 0.3136 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5202 -0.7662 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0902 -0.7381 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 -0.8104 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 -1.3188 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -1.9852 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9829 -1.4958 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 -0.2921 -1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 1.2336 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -3.1059 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 -3.7436 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -4.2432 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 2.3165 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3129 0.7340 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 1.5051 -0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 2.4256 1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 3.3715 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 -5.9257 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 -5.4324 1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 -6.1788 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7295 2.1515 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2238 0.2211 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2467 0.3349 -2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7434 -1.5858 1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 21 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 5 10 2 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 M END > 66878710 > 1 > 1 103 51 11 98 26 32 102 37 28 5 75 89 16 49 55 38 84 93 20 96 68 78 29 87 56 13 77 8 39 19 23 44 70 7 91 33 80 61 60 10 69 76 48 79 74 101 71 54 65 99 66 90 100 88 34 43 85 73 25 22 67 4 27 52 40 62 81 12 95 30 42 18 9 94 64 59 46 24 47 53 57 45 92 31 15 83 6 2 86 58 72 97 21 35 41 3 63 50 36 82 17 14 > 24 1 0.18 10 0.46 12 0.27 13 0.32 14 0.34 15 -0.14 17 -0.15 18 -0.15 19 -0.15 2 -0.19 20 -0.15 21 0.19 28 0.36 3 -0.82 39 0.15 4 -0.9 40 0.15 41 0.15 42 0.15 5 -0.57 6 -0.51 7 0.37 8 0.27 9 0.37 > 8 > 6 1 4 cation 1 4 donor 3 3 5 10 cation 3 5 6 14 cation 5 1 5 6 10 14 rings 6 15 17 18 19 20 21 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 03FC7CF600000001 > 30.8837 > 30.686 > 1100329 8 18123467447834060828 11069576 57 18268974415414271959 12553582 1 18120666737908765794 12839892 36 18266162956288030322 13122387 1 18268149764666667599 14251757 5 17977406137246748750 14787075 74 17846216734842559992 14844126 61 16532854089509413418 14863182 85 18336560360460479428 14916288 52 17618508683613919022 15110567 62 18267302217722475415 19930381 70 18337671919604084451 20028762 73 18272368664297957574 20775530 9 17910952448516270155 21285901 2 17749938961012368109 23559900 14 18050557448864186072 238 59 18190172571859856683 4280585 95 17758108203705735602 46194498 28 17749670791876073373 463206 1 18126841836235277391 474229 33 18409729586803805184 > 408.82 8.52 5.62 1.05 2.31 9.39 0.01 -0.27 -1.17 -4.09 -0.32 0.71 -0.18 -0.52 > 823.531 > 244.2 > 2 5 10 $$$$