60813 -OEChem-05092411503D 43 45 0 0 0 0 0 0 0999 V2000 -8.5796 1.1333 1.3783 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 -0.8660 -0.0573 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -0.1631 0.1136 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3739 0.2086 -0.5011 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2174 1.4748 -0.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -0.8611 0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1089 -0.8153 -0.9445 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 0.5444 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 -1.6598 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 -1.0077 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 0.7123 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -1.5650 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 -0.2455 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 -0.3984 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9885 0.3334 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8843 0.1607 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0176 1.0519 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 1.7513 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0818 -0.5131 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2870 0.5420 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2857 -0.6071 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5243 0.7892 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 0.9561 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 1.1673 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.7148 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 -1.3242 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 -0.6515 1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 -2.0680 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6053 0.4726 -1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 1.7699 -0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -2.1036 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1947 -2.0608 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 0.8293 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 -0.6077 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -0.0087 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -1.4622 0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9327 -0.0608 -1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7587 1.4045 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5398 1.9201 0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7885 2.8028 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 -1.3377 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0908 -1.3043 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 1.0395 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 16 1 0 0 0 0 5 18 2 0 0 0 0 6 16 2 0 0 0 0 6 19 1 0 0 0 0 7 21 2 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > 60813 > 0.8 > 1 179 36 88 119 126 57 31 90 123 24 84 144 160 185 168 118 20 150 66 86 2 53 51 131 100 8 167 172 159 58 93 10 139 35 6 133 46 13 21 142 182 12 18 149 30 83 121 77 41 137 155 39 141 65 171 95 27 74 43 129 40 48 11 180 134 67 104 135 45 106 97 96 154 120 63 71 76 114 16 26 166 181 80 70 138 136 42 148 143 14 107 38 79 127 174 173 108 23 89 17 19 9 184 33 151 147 94 91 170 103 117 73 105 61 44 68 29 157 188 7 82 146 101 69 85 110 125 56 54 152 190 81 113 47 102 158 52 60 87 4 116 49 111 34 32 59 162 124 98 140 132 165 115 25 78 186 145 112 163 62 75 128 153 92 178 3 189 28 187 72 64 164 50 37 156 22 15 55 177 169 130 99 5 109 122 183 176 175 161 > 25 1 -0.12 10 0.27 11 0.37 12 0.37 15 0.26 16 0.72 17 -0.3 18 0.16 19 0.16 2 -0.81 20 0.12 21 0.14 22 -0.15 3 -0.84 39 0.15 4 0.31 40 0.15 41 0.15 42 0.15 43 0.15 5 -0.62 6 -0.62 7 -0.71 8 0.27 9 0.27 > 7.2 > 7 1 2 cation 1 5 acceptor 1 7 acceptor 4 3 5 6 16 cation 5 4 7 17 20 21 rings 6 2 3 8 9 11 12 rings 6 5 6 16 18 19 22 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000ED8D00000001 > 41.6567 > 35.522 > 10 15 16732985353513641972 10299344 5 18272650151826682247 10411042 1 17903351512867469562 106641 1 14851609899050518148 10670039 82 14979964636468393227 11315181 36 16271929325067267923 11638347 137 16226043371528653792 11646440 116 17748548138489765517 11719270 70 11674875589379917496 11724838 91 17967250927319309079 12091667 2 17418372507131525687 12236239 1 18273213093010872855 13073987 5 17096078079076014133 13533116 47 18340481167148774554 13668630 136 10592039155456955605 13964095 4 15339120135181876401 14123256 10 17560802134616865464 14170010 4 17967813855871513348 14251764 18 18408885148376633837 14251764 46 18411418410097439850 14849402 71 18338237171296265257 14933364 13 18413670206001279709 15419008 47 16226039007435998677 1577012 14 18271802402934916927 18006028 8 9151175354802097831 20157964 124 18410011027542174622 20281389 69 18114177532125134148 20735858 18 14923943448789562427 21033648 29 18189889993662185352 21150785 3 17775847930107468283 21315763 28 18411134727734450892 21521721 280 18335701658821821738 220451 1 17632289069472764719 22224240 67 17385722512637611730 28498 318 10952055545873309315 3004659 81 11527944547819673223 33532 11 8214153949452327312 335352 9 18334296475236830566 3545911 37 18186799179669818791 3711267 37 18130519573945375697 4073 2 18041563640922517450 4325135 7 18201720643749814345 4339292 15 14924234872239755841 4340502 62 16515683334187512426 445580 37 16559040363684490617 5104073 3 17241598417443162025 5283156 175 16988565671875662206 54076057 127 18336271154147913339 5758199 1 18334858316355446979 59682541 35 17676493860962759265 59755656 520 18261104205883103047 67123 10 18411981374048891671 8209 1 18341892995685994974 9953998 17 17821734940745679563 > 424.73 27.26 1.46 0.87 20.23 0.02 -0.06 9.05 -3.35 -1.31 -0.19 1.31 0.04 -1.31 > 873.956 > 242.9 > 2 5 10 $$$$