2984337 -OEChem-04252423313D 61 66 0 0 0 0 0 0 0999 V2000 1.2541 -3.6175 0.7474 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 -2.5101 -1.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -0.9082 2.3165 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1294 1.7310 4.3229 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 -1.7594 0.2026 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 -1.3271 -0.0815 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6924 -3.0032 -1.4744 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 -1.9158 -2.0057 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8282 2.9718 -1.6472 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 0.8454 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 -3.1074 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 -0.2072 -1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 0.6323 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 -3.3857 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -1.5924 -1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 -0.7367 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 2.1651 -1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 -3.2771 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 0.0356 -3.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 1.7040 1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 2.3921 -2.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 3.2278 -0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 1.3336 -3.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7889 2.9975 0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -2.6081 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 -0.9214 -1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -0.5553 1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7749 0.4050 -1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 0.1719 1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 -0.5263 2.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6252 0.9430 2.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 0.2447 3.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 0.9794 3.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 1.3883 -1.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0457 0.7005 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 2.6453 -2.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 1.9883 -1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 2.4564 4.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -3.2452 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -3.8449 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -2.6800 2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 -4.3928 1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 -3.9909 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -2.2716 -0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 -0.7721 -3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 1.5521 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 3.3982 -3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 4.2473 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 1.5219 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0027 3.8284 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 0.1540 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 -1.0940 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3095 1.4889 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 0.2690 4.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0327 1.1939 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6561 -0.0418 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 3.4488 -2.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5081 2.2714 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 3.2071 3.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 2.9971 5.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.7844 4.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 33 1 0 0 0 0 4 38 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 36 2 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 34 2 0 0 0 0 28 35 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 34 36 1 0 0 0 0 34 55 1 0 0 0 0 35 37 2 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 M END > 2984337 > 1 > 1 124 91 92 103 78 66 2 129 137 64 131 18 104 132 12 9 55 128 116 146 53 95 115 79 11 108 68 8 57 84 93 135 24 112 118 73 16 142 119 133 29 13 121 82 144 10 89 85 6 101 107 45 52 30 34 19 36 143 111 87 58 77 42 100 60 105 126 51 86 123 90 83 114 76 7 15 22 49 69 63 59 21 99 81 62 48 44 147 20 46 61 141 31 40 134 139 109 120 140 125 47 28 102 145 4 17 136 25 50 39 74 38 130 94 70 3 98 97 23 27 35 122 65 113 96 106 67 75 80 54 138 127 110 14 72 43 56 5 32 33 88 26 41 117 37 71 > 49 1 -0.29 11 0.3 12 0.09 13 0.09 15 0.54 16 0.54 18 0.23 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.24 26 0.13 27 -0.02 28 0.05 29 -0.15 3 -0.57 30 -0.15 31 -0.15 32 -0.15 33 0.08 34 -0.15 35 -0.15 36 0.16 37 0.16 38 0.28 4 -0.36 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.42 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 6 0.33 7 -0.34 8 -0.34 9 -0.62 > 8.2 > 12 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 9 acceptor 3 6 7 25 cation 3 6 8 26 cation 5 6 7 8 25 26 rings 6 10 12 17 19 21 23 rings 6 10 13 17 20 22 24 rings 6 27 29 30 31 32 33 rings 6 5 10 12 13 15 16 rings 6 9 28 34 35 36 37 rings > 38 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 002D899100000001 > 130.6367 > 63.549 > 10032420 55 18130227184817825174 11582403 64 17604158111894478656 11763715 3 17037498599452256386 11991303 11 12526819083086567914 12633046 712 17632583729561179031 13383661 66 15258301915387184780 14114206 34 17775010041933243897 14279260 333 17629227947845006166 144659 39 17676759873561260344 14918310 93 16962369008495702439 14932701 244 17460328856343931417 15484559 13 16260446914263383408 15815584 197 17487306400907811154 17921350 177 17097482099173520974 19319366 153 18057627385439596107 20764821 26 18200579316093299419 22907989 373 18188475991296090191 238 59 17127850808022782139 469060 322 15285933532078414021 5252454 2 18343024367719120915 > 743.36 9.75 4.6 4.25 4.16 0.63 -4.99 -7.11 2.89 -0.52 2.3 0.18 -0.7 -0.45 > 1649.25 > 400.9 > 2 5 10 $$$$