11954068 -OEChem-03252320503D 70 74 0 1 0 0 0 0 0999 V2000 -0.5556 -0.7522 0.0098 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -0.7841 -3.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6861 -3.2827 1.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1975 -0.6810 -1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3774 2.3863 -1.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 4.1679 -0.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -4.0572 0.7946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 -6.1425 1.6767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -1.2380 0.4285 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -4.3243 -0.0453 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9079 3.2710 0.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -0.0654 -1.3059 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3735 -1.1893 -1.9283 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6739 0.8022 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 1.0592 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 -0.4906 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -1.5057 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3784 1.8435 0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -0.7815 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 2.3419 -0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8027 3.1609 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 3.3911 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 -2.7812 -1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 1.5106 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 0.2258 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0485 -2.0668 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 -1.5336 -1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3978 -3.0633 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9314 -2.1917 -0.3168 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4352 4.2741 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 4.6641 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 5.5357 1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5811 5.7309 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 -3.3090 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7931 -0.5552 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 0.3917 0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4418 1.4505 1.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 2.2843 0.2583 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2780 -5.4802 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9021 3.0643 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 -5.2805 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 0.3663 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 -2.1055 -2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1726 2.5128 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7117 -3.5558 -1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.2476 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 0.0330 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0013 -2.3002 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 -2.2751 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1789 -0.7616 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -4.0519 -0.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -0.6510 -3.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5961 -2.6542 -1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 4.1845 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 4.8365 -0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3565 6.3613 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1101 6.7081 0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 -1.0784 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7869 -0.2038 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3066 0.8538 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9822 2.1046 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 0.9793 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -4.2786 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 1.6652 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 -5.7112 1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 -6.3113 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 2.7917 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 3.7753 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0767 2.8894 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -3.9509 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 13 1 0 0 0 0 2 52 1 0 0 0 0 3 34 2 0 0 0 0 4 35 2 0 0 0 0 5 40 1 0 0 0 0 5 69 1 0 0 0 0 6 40 2 0 0 0 0 7 41 1 0 0 0 0 7 70 1 0 0 0 0 8 41 2 0 0 0 0 9 29 1 0 0 0 0 9 35 1 0 0 0 0 9 58 1 0 0 0 0 10 34 1 0 0 0 0 10 39 1 0 0 0 0 10 63 1 0 0 0 0 11 38 1 0 0 0 0 11 67 1 0 0 0 0 11 68 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 23 2 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 30 2 0 0 0 0 22 31 2 0 0 0 0 23 28 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 34 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 40 1 0 0 0 0 38 64 1 0 0 0 0 39 41 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 M END > 11954068 > 1.2 > 1 64 37 118 88 2 121 106 8 53 48 77 149 39 124 132 156 90 96 56 145 161 150 14 26 59 134 86 46 15 51 89 28 133 74 73 18 125 85 21 135 70 95 79 20 22 41 127 7 128 67 29 164 55 5 76 93 141 83 107 49 140 111 151 58 36 152 144 66 71 91 165 25 87 110 75 35 130 162 63 9 65 33 138 62 44 116 72 160 24 94 61 108 112 42 158 78 119 10 101 6 129 100 16 31 155 82 69 32 81 120 47 57 146 34 40 139 54 99 122 80 114 104 4 68 123 11 163 17 13 157 117 103 38 102 27 30 84 45 60 3 43 109 147 52 136 97 159 92 105 137 154 113 23 142 148 50 126 153 12 143 115 131 19 98 > 51 1 -0.46 10 -0.73 11 -0.99 12 0.37 13 0.42 15 -0.14 17 -0.14 2 -0.68 20 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.23 28 -0.15 29 0.36 3 -0.57 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 0.57 35 0.57 36 0.06 38 0.33 39 0.36 4 -0.57 40 0.66 41 0.66 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 5 -0.65 51 0.15 52 0.4 54 0.15 55 0.15 56 0.15 57 0.15 58 0.37 6 -0.57 63 0.37 67 0.36 68 0.36 69 0.5 7 -0.65 70 0.5 8 -0.57 9 -0.73 > 13.4 > 19 1 10 donor 1 11 cation 1 11 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 donor 3 5 6 40 anion 3 7 8 41 anion 6 12 13 14 15 16 17 rings 6 14 15 18 20 21 22 rings 6 14 16 18 19 24 25 rings 6 16 17 19 23 26 28 rings 6 21 22 30 31 32 33 rings > 41 > 2 > 2 > 0 > 0 > 0 > 1 > 4 > 00B6679400000001 > 105.356 > 96.686 > 10439779 11 18336255756658313603 13140716 1 18338794490926609790 14040222 75 17477204925653848061 15320291 9 18123466339268255561 15320467 1 18194964273488011217 15351339 4 17540530219882313209 16112460 7 18128554699136569241 21315764 268 18411419518874547381 45266715 3 18264466478507852575 6371380 46 18337110047392126870 > 791.58 11.41 9.54 1.57 8.22 0.99 -0.61 -5.97 1.33 -0.02 3.98 0 0.81 2.74 > 1718.945 > 432 > 2 5 10 $$$$