21896588 -OEChem-05102412593D 49 50 0 1 0 0 0 0 0999 V2000 -2.8019 2.5101 0.8843 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.7424 -0.2158 1.4619 P 0 0 2 0 0 0 0 0 0 0 0 0 -2.1379 -2.4030 0.3010 P 0 0 2 0 0 0 0 0 0 0 0 0 -1.5240 -1.8273 -2.5173 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0577 1.3706 0.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 3.2155 -2.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1734 2.7421 -0.6655 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6532 2.0133 -0.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 0.5907 1.8208 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 1.2989 0.9139 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5832 3.6766 0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 2.9194 2.2392 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -3.8700 0.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6713 -0.8875 0.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 -0.8828 1.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 -0.3275 2.9222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 -2.3438 -1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 -3.2117 -0.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 -2.9606 1.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -1.9210 -3.2517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 -0.2370 -2.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 -2.5454 -3.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 0.0040 0.5573 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -1.6301 1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 2.9188 -1.2207 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9836 2.0023 -0.8706 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6424 2.0731 -0.8058 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4940 1.3592 0.4175 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6014 2.8903 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -0.2748 1.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -1.0321 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -2.3192 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7874 -2.6957 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 3.8602 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 1.2768 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4061 1.3206 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 1.9374 1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 3.5831 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 3.4649 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9968 3.7503 -2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 3.3931 0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 -0.7667 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 -1.8538 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 -3.0991 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 4.5758 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3532 -1.7951 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4035 -4.1885 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 -1.7335 -4.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 0.0865 -1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 16 2 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 2 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 25 1 0 0 0 0 6 40 1 0 0 0 0 7 26 1 0 0 0 0 7 41 1 0 0 0 0 8 29 1 0 0 0 0 9 30 2 0 0 0 0 11 45 1 0 0 0 0 13 33 2 0 0 0 0 15 46 1 0 0 0 0 18 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 23 28 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 24 30 1 0 0 0 0 24 33 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 34 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 27 29 1 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 31 32 2 0 0 0 0 31 42 1 0 0 0 0 32 33 1 0 0 0 0 32 44 1 0 0 0 0 M END > 21896588 > 1.8 > 1 24 143 28 94 76 78 5 56 103 149 126 128 15 55 87 67 9 61 53 30 115 42 25 84 97 125 104 96 135 159 101 10 36 54 63 121 152 60 106 144 45 29 19 158 147 6 58 70 17 77 105 11 46 129 130 74 64 26 38 23 111 13 108 68 33 34 62 145 20 109 43 151 8 50 66 72 131 79 51 91 134 100 127 59 155 85 141 116 156 137 18 117 12 120 3 37 119 16 41 57 112 110 88 136 114 138 65 47 83 80 99 69 44 146 31 122 7 148 2 48 49 98 35 22 71 133 14 102 132 95 39 150 32 160 157 4 81 52 140 82 21 40 123 154 93 73 27 90 89 92 139 118 153 142 124 75 113 86 107 > 43 1 1.51 10 -0.54 11 -0.77 12 -0.7 13 -0.57 14 -0.54 15 -0.77 16 -0.7 17 -0.54 18 -0.77 19 -0.7 2 1.51 20 -0.77 21 -0.77 22 -0.7 23 -0.47 24 -0.49 25 0.28 26 0.28 27 0.28 28 0.58 29 0.28 3 1.51 30 0.69 31 -0.04 32 -0.14 33 0.62 4 1.51 40 0.4 41 0.4 42 0.15 43 0.37 44 0.15 45 0.5 46 0.5 47 0.5 48 0.5 49 0.5 5 -0.56 6 -0.68 7 -0.68 8 -0.55 9 -0.57 > 11 > 20 1 11 acceptor 1 12 acceptor 1 13 acceptor 1 15 acceptor 1 16 acceptor 1 18 acceptor 1 19 acceptor 1 20 acceptor 1 21 acceptor 1 22 acceptor 1 24 donor 1 5 acceptor 1 6 acceptor 1 6 donor 1 7 acceptor 1 7 donor 1 9 acceptor 4 4 20 21 22 anion 5 5 25 26 27 28 rings 6 23 24 30 31 32 33 rings > 33 > 0 > 4 > 0 > 0 > 0 > 1 > 3 > 014E1D8C00000001 > -23.6485 > 101.594 > 12422481 6 18056476149488889130 12633257 1 18114742753953088674 12788726 201 18201156667394245981 13383668 90 14285030105765393258 15403338 16 17976267056117286407 19319366 153 17904218261939866293 20739085 24 18115023134424957176 23598288 3 18343584066065885405 238918 7 17621315736725492351 35225 105 17846787329568248817 > 578.91 9.05 5.26 2.66 2.31 0.44 -1.76 -1.97 5.29 0.11 -1.05 -1.64 -0.96 -2.99 > 1135.729 > 347.9 > 2 5 10 $$$$