69248292 -OEChem-04252405183D 50 52 0 0 0 0 0 0 0999 V2000 7.0683 1.3856 0.3033 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7354 -0.6062 -0.5994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8704 -2.5014 1.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3105 2.5178 -0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2992 1.1789 -0.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 -0.9236 -0.4567 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 -0.0444 -0.5554 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2199 0.1697 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -1.8883 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4153 0.8965 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0525 -1.2047 -1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5978 -1.5901 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3283 -0.7973 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 0.1809 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 -1.4605 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -0.7573 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4368 1.6951 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 -1.2534 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 -0.6426 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0288 1.2324 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7695 0.7056 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1645 0.4678 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5056 3.0521 1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8403 -1.4237 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1035 -0.8656 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7508 2.4765 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 0.9091 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -0.2181 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 -2.3563 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -2.6869 -1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 1.4072 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7768 1.6600 0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8742 -1.9200 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7979 -0.8447 -2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 -1.7609 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 -2.5836 -0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 0.2082 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1932 -0.7059 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 0.1441 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 0.9323 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0109 1.7121 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3675 -2.1770 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 1.3529 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -2.4740 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0783 3.8231 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9202 3.0563 2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5393 3.3207 1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0006 -1.4643 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0658 2.7597 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1544 3.2061 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 3 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 43 1 0 0 0 0 22 25 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END > 69248292 > 1 > 1 66 47 83 37 62 74 52 42 55 49 23 60 24 30 2 18 61 81 50 40 77 7 73 19 39 3 29 80 31 72 32 12 38 67 16 10 20 4 45 46 11 21 36 57 9 28 14 27 33 54 34 6 26 59 82 22 13 5 78 71 15 35 44 8 76 65 70 53 25 56 79 43 68 51 48 17 64 41 69 75 58 63 > 30 1 -0.43 10 0.3 11 0.3 12 0.27 13 0.06 14 0.78 15 0.49 16 -0.14 17 0.28 18 -0.18 19 0.03 2 -0.57 20 0.08 21 -0.15 22 0.08 24 -0.15 25 -0.15 26 0.56 3 -0.57 39 0.15 4 -0.36 42 0.15 43 0.15 44 0.15 48 0.15 5 -0.36 6 -0.81 7 -0.66 8 0.27 9 0.27 > 9.8 > 8 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 5 4 5 20 22 26 rings 6 19 20 21 22 24 25 rings 6 6 7 8 9 10 11 rings > 26 > 0 > 0 > 0 > 1 > 0 > 1 > 2 > 0420A52400000001 > 50.0793 > 40.753 > 10 15 17749394733385339785 10280341 67 18114171987802962021 10740516 88 7925365073271274312 10835480 77 18342177764844644867 11315181 36 17988928860645471707 11409948 41 16199888159643063308 11421887 45 18336531726321238741 11607047 141 18041551444401956666 11991303 11 17346589795142951599 125118 31 18260553355268922388 12838862 33 17749098973321302077 13668630 136 9799695891776931454 13673619 4 10015579497964413499 14251757 52 18334853922804207512 14251764 18 17675923200815268491 14344974 52 18342735248343805079 14400156 413 18131067148247985136 14556957 393 16702316654231890713 14598715 104 18410846668367530689 14729087 3 18333732412227327495 14933364 13 18409452466739264367 15183329 4 16415478229699001135 15289351 153 18270961250854104994 1577012 14 18259981553198142843 16989713 51 17844803879960831487 16992779 147 13697025976008255966 20281389 69 17894913980250428447 20554085 129 18343010095838676642 21130971 5 10591757740415096101 21130990 3 8646775516820947168 21150785 3 16559032683576186943 21781051 124 8430312481085916248 21781055 127 17313394388333805806 21792934 111 18273490175417584568 3178227 256 12829209979871923018 33532 11 8286207141338278064 3918712 181 18336539430827195201 4073 2 17967823759797878323 44280117 145 18129942408082292223 444735 82 18336831987404949124 5047190 69 18335135375905986485 5385378 56 17313101904253850187 5758199 1 17603307038001888723 6058803 2 15048955597444354558 636775 72 18407759231797019125 636775 8 13038900067267111949 9995097 26 10375868598141168218 > 495.76 31.4 2.64 0.91 12 1.39 0.01 23.62 -0.12 0.62 0.31 0.79 0 3.8 > 1036.999 > 280 > 2 5 10 $$$$