2037119 -OEChem-04182409083D 63 66 0 1 0 0 0 0 0999 V2000 6.2497 0.5024 -0.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -4.3618 -0.7998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 2.9388 0.6455 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.4614 0.9404 1.7998 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 2.4393 0.6058 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6565 0.3353 1.2139 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 0.9793 -0.8082 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5341 -0.8626 0.4747 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6506 1.8889 1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8063 3.4360 0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 2.3974 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -0.2753 2.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6686 1.2923 1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 1.8923 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2972 -1.3646 1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 0.6616 -1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 2.6626 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 -2.2196 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -1.5016 1.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 0.1437 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 0.1930 -1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 2.1940 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 -3.2298 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1506 -2.5118 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 0.9593 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -3.3759 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6346 0.7655 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4845 -1.0198 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5847 -0.2283 -1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6616 1.6731 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4668 -2.1219 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -0.7678 -1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 -4.4543 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 1.3557 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6902 2.4241 2.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 4.1245 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 4.0521 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 1.5996 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 3.1858 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.6094 3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5094 -0.0772 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -0.3535 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 0.0567 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 3.6340 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 -2.1460 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -0.8429 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 -0.7739 -1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 2.7966 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -3.9039 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2288 -2.5708 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3587 -0.3773 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 2.4056 -2.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5434 1.0979 -3.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6083 2.2213 -2.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2597 -2.6579 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4831 -1.7198 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4155 -2.8428 -1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 -0.9745 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9603 -1.5698 -0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2529 -0.7537 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3485 -5.2910 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 -3.5562 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -4.6887 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 32 1 0 0 0 0 2 26 1 0 0 0 0 2 33 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 42 1 0 0 0 0 7 20 1 0 0 0 0 7 27 2 0 0 0 0 8 20 2 0 0 0 0 8 28 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 43 1 0 0 0 0 17 22 2 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 24 2 0 0 0 0 19 46 1 0 0 0 0 21 25 2 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 2037119 > 1 > 1 150 148 68 47 167 2 141 73 142 35 75 102 181 62 111 184 55 135 197 179 14 173 153 194 178 144 171 161 54 50 113 98 190 8 196 91 45 97 183 11 22 105 162 106 76 206 149 96 152 163 61 177 205 131 56 180 109 101 89 168 201 157 158 53 176 136 58 140 121 127 99 104 49 28 185 64 169 160 72 86 33 119 202 19 124 107 87 51 200 24 130 40 52 44 132 146 29 114 189 103 69 108 34 174 48 186 172 203 39 112 117 195 26 170 159 74 151 7 115 13 15 100 188 3 123 70 83 182 95 175 122 191 134 116 63 30 5 143 60 156 37 17 84 43 31 71 154 139 82 164 16 165 92 59 81 138 110 187 80 67 147 204 199 85 133 88 137 155 9 18 166 65 126 38 129 25 128 10 32 94 125 192 21 193 36 118 93 79 66 20 77 145 23 4 27 46 78 42 12 41 90 57 198 6 120 > 43 1 -0.36 10 0.52 11 0.41 12 0.51 13 0.55 14 -0.14 15 -0.14 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.36 20 0.72 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.08 26 0.08 27 0.17 28 0.17 29 -0.15 3 -0.81 30 0.14 31 0.14 32 0.28 33 0.28 4 -0.79 42 0.4 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.7 50 0.15 51 0.15 6 -0.55 7 -0.62 8 -0.62 9 0.64 > 8.8 > 11 1 1 acceptor 1 2 acceptor 1 3 cation 1 6 donor 1 7 acceptor 4 4 5 6 13 cation 4 6 7 8 20 cation 6 14 16 17 21 22 25 rings 6 15 18 19 23 24 26 rings 6 3 4 5 9 10 13 rings 6 7 8 20 27 28 29 rings > 33 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 001F157F00000001 > 119.6032 > 55.853 > 10483366 6 18411704313190895978 11488393 25 18408328804389454203 11513181 2 17983026557077965462 12156800 1 16913092058418965438 12645989 146 17548708379176474662 12838863 1 18410289208189558354 13383661 66 18410863182590162831 13642711 20 18341613771314748695 13911987 19 18192169284786572220 14114207 22 17241030038904306154 14400156 162 12893982205295967356 15163728 17 16008747974773386577 15324884 4 17247798877456455513 15975801 100 17459729562387470021 17492 54 18333450953987342266 17909252 39 18341604889459205745 20028762 73 18272656736322985150 20775438 99 17397782875426046693 21344244 181 18200038489384868782 21344244 246 18411140229635672926 22393880 68 18335691772034277853 23559900 14 18196663011028246144 26353 1 17902501593839611437 3027735 51 18339372855175076840 3117164 225 8790593806370317679 3298306 158 18260541273119418305 44802255 64 17242191234778196164 46194498 28 18189037743322680407 484989 97 18121228828932778563 59755656 215 18040430031886273559 6287921 2 17981328889633628890 6669772 16 17913756482434795688 > 637.5 12.73 4.9 2.03 5.51 3.96 0.01 0.5 -9.03 -3.51 -0.35 1.24 -0.42 0.93 > 1364.565 > 351.7 > 2 5 10 $$$$