66879509 -OEChem-03282408413D 42 43 0 0 0 0 0 0 0999 V2000 1.9257 2.9057 -0.6548 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 -1.9398 1.2952 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 0.4644 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -3.1620 0.2049 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 1.1301 0.5276 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 3.3364 -0.2923 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -0.8843 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -1.8237 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 0.7953 -0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7582 1.3426 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0126 1.4561 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 -4.0634 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 2.3310 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 2.2787 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 1.2384 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 -5.4629 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.1388 1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9616 1.3155 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.8835 0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7614 0.2931 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0809 -0.8064 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 -0.8286 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 -1.2658 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 -1.8570 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -1.4396 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -0.1285 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0269 1.4114 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 -3.1236 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 -3.6955 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -4.1216 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5964 2.4017 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1599 0.8071 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 1.6633 0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 2.3007 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 3.3005 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0946 -5.8810 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -5.4614 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -6.1287 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 0.0636 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 2.1670 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1355 0.3529 -2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7035 -1.6026 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 19 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 5 10 2 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > 66879509 > 1 > 1 62 175 133 191 177 102 70 31 180 139 55 152 136 108 63 21 107 167 154 72 129 84 112 82 171 174 91 94 194 93 182 137 49 76 56 172 15 153 118 116 189 100 147 20 42 132 156 79 53 109 160 40 17 32 186 179 106 43 181 185 67 163 124 54 113 65 199 187 166 104 5 196 12 144 193 14 135 121 45 140 105 138 39 13 77 7 114 197 131 183 95 47 115 23 16 195 157 101 19 164 126 146 103 51 119 148 9 178 130 151 71 176 125 122 83 78 134 57 88 142 81 188 6 127 201 86 149 110 162 48 3 200 90 69 10 26 11 41 35 58 89 173 198 59 203 74 190 66 68 150 50 120 123 192 155 158 25 61 38 30 37 97 141 85 165 80 44 27 170 159 87 96 28 117 2 4 92 52 29 99 161 22 168 111 145 73 34 64 143 24 18 8 98 128 36 169 60 46 184 202 75 33 > 24 1 0.18 10 0.46 12 0.27 13 0.32 14 0.34 15 -0.14 17 -0.15 18 -0.15 19 0.19 2 -0.19 20 -0.15 21 -0.15 28 0.36 3 -0.82 39 0.15 4 -0.9 40 0.15 41 0.15 42 0.15 5 -0.57 6 -0.51 7 0.37 8 0.27 9 0.37 > 8 > 6 1 4 cation 1 4 donor 3 3 5 10 cation 3 5 6 14 cation 5 1 5 6 10 14 rings 6 15 17 18 19 20 21 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 03FC801500000001 > 30.8796 > 30.686 > 10616163 171 18411141316056209281 12553582 1 18050013185849479578 12839892 36 18266723715786999178 13122387 1 18340206276335913743 13402501 40 18189342449334753963 14251705 54 18409454669667032131 14251757 5 17977967987714864126 14787075 74 17702659007715010896 14863182 85 18337122219481684068 14916288 52 17691129236221557198 19930381 70 18338235969127214243 20028762 73 17985832768028393319 21285901 2 17750780078796654701 23559900 14 18050557457459362850 238 59 18119224380849104015 4280585 95 17830447277068056474 445580 102 18336270119239876323 463206 1 18055623173885435023 474229 33 18410008875610539680 9709674 26 18050283665804663162 9795274 37 18190467051792370163 > 408.82 8.22 5.63 1.09 1.1 9.09 -0.1 -0.65 -0.3 -4.22 -0.57 0.96 -0.03 0.35 > 823.566 > 243.9 > 2 5 10 $$$$