51626249 -OEChem-04192419563D 71 75 0 1 0 0 0 0 0999 V2000 -6.5525 -2.1417 -0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2401 -2.6599 1.7732 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 -1.6659 0.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 0.6928 -0.2056 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 1.2623 -2.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 2.5946 -2.3741 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 1.7644 -3.2327 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2051 2.5788 -3.4512 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 -2.3858 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 -3.6250 -0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 -2.9681 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4055 -4.4377 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -4.0134 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0951 -0.5473 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5731 -1.1844 -1.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2114 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -0.4266 -1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 1.4145 -0.1163 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5395 1.7733 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1564 2.6283 0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 3.0520 1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3606 3.3174 0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5309 0.3246 -1.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0947 4.1649 2.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 4.4302 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 0.9864 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 4.8540 2.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 0.0150 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7193 -0.6237 -0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -0.2454 1.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5716 -1.5228 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4054 -1.1444 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 -1.7832 1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6452 -1.8200 -2.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0121 -2.8696 3.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0557 -1.7263 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 -3.3990 -1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2693 -4.2044 -0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8718 -3.4594 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1372 -2.2249 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2122 -5.5129 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 -4.2101 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -3.5795 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7379 -4.8630 1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 0.1448 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 -0.9082 2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -2.0216 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3392 -0.5344 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0044 -0.4557 1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 1.0137 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -0.0836 -2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -1.1223 -0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 0.7415 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 2.5218 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2552 3.0337 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -0.2840 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 -0.3744 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 4.4939 2.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 4.9710 1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 1.7761 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3366 1.5065 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 5.7212 3.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7903 -0.3837 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 0.2451 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -1.2980 2.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8889 -0.7633 -2.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7464 -2.1258 -2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4783 -2.4006 -2.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0285 -3.3144 3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1709 -1.9525 3.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7581 -3.5941 3.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 34 1 0 0 0 0 2 33 1 0 0 0 0 2 35 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 19 2 0 0 0 0 7 8 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 22 25 2 0 0 0 0 22 55 1 0 0 0 0 23 26 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 2 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 M END > 51626249 > 1.2 > 3 30 91 131 42 184 70 224 138 124 56 165 208 99 134 79 170 196 33 8 213 10 66 77 76 226 220 199 161 119 107 222 219 209 93 194 182 214 153 143 139 152 193 173 190 110 189 132 117 168 140 49 169 157 18 84 44 191 150 216 89 187 221 127 81 58 98 11 50 94 164 207 23 180 178 144 120 6 60 204 46 149 215 88 111 137 57 102 162 35 15 142 205 27 202 118 53 172 90 197 75 86 116 14 212 12 174 195 135 73 171 59 126 181 176 218 167 115 129 104 155 186 71 68 97 17 24 192 82 37 28 36 183 101 20 85 121 145 179 122 200 47 203 40 43 136 146 156 113 158 65 32 52 21 7 92 147 31 159 106 78 69 151 64 96 141 61 38 130 105 29 67 63 95 72 5 19 109 34 45 83 55 211 225 26 206 128 54 41 4 112 114 163 217 185 9 175 16 100 133 1 188 166 148 22 13 39 201 103 160 62 51 154 123 125 223 87 80 210 177 25 2 108 74 198 48 > 38 1 -0.36 14 0.27 15 0.27 16 0.27 17 0.27 18 0.59 19 0.01 2 -0.36 20 -0.14 21 -0.15 22 -0.15 23 0.26 24 -0.15 25 -0.15 26 0.14 27 -0.15 28 -0.14 29 -0.15 3 -0.81 30 -0.15 31 0.08 32 -0.15 33 0.08 34 0.28 35 0.28 4 -0.81 5 0.31 54 0.15 55 0.15 58 0.15 59 0.15 6 -0.34 62 0.15 63 0.15 64 0.15 65 0.15 7 -0.42 9 0.27 > 11.2 > 10 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 3 5 6 19 cation 5 5 6 7 8 19 rings 5 9 10 11 12 13 rings 6 20 21 22 24 25 27 rings 6 28 29 30 31 32 33 rings 6 3 4 14 15 16 17 rings > 35 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0313C10900000003 > 98.6818 > 50.756 > 10074138 170 17554053138972620288 11387372 6 17478339634607471806 12128747 34 18338504284392851413 12342043 65 18260267477771157579 12422481 6 16486699039384811540 12758862 65 18262778766471174066 12975358 362 11743846906230639107 13383661 66 18261404295264126970 1361 87 17821452365635751803 13782708 43 18333445434986411367 15320291 9 17977102684269600714 15320294 125 17831612810922694577 15324884 4 17899660623070927700 15510800 12 18259981574182609387 15803439 3 11963687620320501408 15878777 1 15575810864811391948 19319366 153 18053948626266786460 20587220 46 17754480137055624251 21307412 95 17749385941445613743 21796203 349 18272940435786877742 21814621 53 18337103584420420451 25222932 49 17411344621790211343 2747138 104 18129090123351653794 2835447 4 17268339940411625211 32027 91 18411134784028494507 3418910 222 18268987598061132152 437815 12 18410006598507804322 4408954 64 18126034622521737275 4408954 87 16685984813366393330 4756326 101 14996857640771684958 484985 159 17906731406339338912 6823239 73 17241320404072922185 > 678.66 16.58 6.75 3.06 8.35 4.37 1 -32.36 -4.7 -9.04 -4.22 3.33 1.43 2.06 > 1445.51 > 379.1 > 2 5 10 $$$$