70449127 -OEChem-03282415383D 58 59 0 0 0 0 0 0 0999 V2000 0.9014 1.5701 -2.7861 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2425 -1.9792 1.8812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -1.1503 0.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 0.2324 1.9074 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 1.6886 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 1.0799 -1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 2.1562 1.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 0.3815 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0511 1.6197 2.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3895 0.0924 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 1.8280 2.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 0.7521 -3.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 0.3075 -2.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 1.8667 -1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 1.5920 2.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 0.4075 -3.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 -0.6441 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 0.3627 2.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 0.8436 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 1.1459 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 3.1924 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 2.4716 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 3.4948 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1446 -2.9305 0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -2.7732 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 -4.0559 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 0.0793 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -3.7412 -1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 -5.0240 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -4.8665 -1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 2.4694 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 2.0550 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8783 2.0874 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 1.1271 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 3.2470 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 1.8269 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8211 -0.4172 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 1.3868 2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -0.9179 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8011 1.7897 3.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 0.8130 -3.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -0.0655 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 -0.4296 -3.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 2.2221 3.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 0.2084 -4.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.4528 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 -0.5104 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9988 0.0666 2.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 -0.1838 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 3.9933 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7911 2.7280 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 4.5269 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -1.9261 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 -4.1832 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -3.6206 -2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3777 -5.9002 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -5.6205 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 -1.8631 0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 27 1 0 0 0 0 3 58 1 0 0 0 0 4 27 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 2 0 0 0 0 8 37 1 0 0 0 0 9 11 2 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 2 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 14 21 2 0 0 0 0 15 18 2 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 29 2 0 0 0 0 26 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 M END > 70449127 > 1.6 > 7 170 140 100 27 70 44 163 157 3 32 138 4 102 122 145 151 148 37 107 13 159 162 141 117 153 126 135 6 161 55 139 5 144 101 113 131 9 18 72 146 45 109 64 156 8 149 105 26 136 152 59 24 132 125 123 137 127 94 96 84 95 134 91 22 10 143 121 75 166 83 86 50 150 42 1 90 169 85 114 2 168 103 73 65 58 74 171 14 147 82 108 99 46 16 128 53 35 115 119 43 112 173 155 118 81 129 40 19 23 154 79 34 11 31 106 97 71 130 41 52 158 78 67 160 164 62 48 133 28 60 110 66 63 36 120 25 142 30 92 77 54 116 165 80 17 88 124 167 93 104 98 29 39 89 47 20 33 76 172 61 56 69 87 12 57 51 49 68 111 21 38 15 > 48 1 -0.36 10 -0.29 11 -0.29 12 -0.29 13 0.42 14 0.08 15 -0.29 16 -0.29 17 0.42 18 -0.29 19 -0.15 2 -0.36 20 0.09 21 -0.15 22 -0.15 23 -0.15 24 0.08 25 -0.15 26 -0.15 27 0.63 28 -0.15 29 -0.15 3 -0.65 30 -0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 44 0.15 45 0.15 48 0.15 49 0.15 5 0.28 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 0.5 6 0.28 7 0.28 8 -0.29 9 -0.29 > 13 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 3 4 27 anion 6 14 19 20 21 22 23 rings 6 24 25 26 28 29 30 rings > 30 > 0 > 0 > 4 > 0 > 0 > 1 > 1 > 0432F7E700000007 > 76.8678 > 35.58 > 12788726 201 17909555300002440155 19319366 153 18130781244742520003 20905425 154 16301730354069925885 21795232 40 17324989854306823494 238 59 15909438963371106069 27425 322 17988917903461986713 3493558 16 16014110555360444107 35225 105 17691169145199745815 469060 322 16540989397559965743 > 593.91 6.25 5.94 3.69 0.71 10.11 -1.87 -5.85 2.14 -1.44 0.51 1.75 -1.87 -1.81 > 1223.57 > 338.5 > 2 5 10 $$$$