73282 -OEChem-10191916333D 42 43 0 0 0 0 0 0 0999 V2000 3.6053 4.2211 -0.4543 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.2971 1.8503 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2363 1.1934 -0.6251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1264 -1.3841 2.7844 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 0.6925 2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 -1.3218 0.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6013 -2.1027 -0.6348 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 0.5142 1.5268 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 0.8221 0.8166 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3775 1.6737 0.1994 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 -0.6809 0.0927 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0814 0.1591 -0.5495 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 -0.9765 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 -0.1573 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6751 -2.3570 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -0.7188 -2.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -2.9184 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -2.0994 -2.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4041 1.9968 -1.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 -0.1097 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 3.3136 -0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6028 0.5926 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 1.3798 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 -0.8222 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 2.5257 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6523 -3.1386 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -3.0203 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 -0.0958 -2.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 1.5395 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 -3.9932 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 -2.5368 -3.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 2.1739 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 1.4836 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 1.7974 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 3.1515 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 3.9405 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 3.4358 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6789 2.7174 -1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5152 2.3003 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1256 -4.0884 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 -3.0071 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 -3.1945 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 6 20 2 0 0 0 0 7 24 1 0 0 0 0 7 26 1 0 0 0 0 8 20 1 0 0 0 0 8 29 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 34 1 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 22 2 0 0 0 0 11 24 1 0 0 0 0 12 23 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 23 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > 73282 > 1 > 1 117 89 102 95 137 121 44 45 97 128 96 9 31 158 79 153 57 132 39 60 139 145 144 20 41 50 87 113 136 52 103 120 59 78 84 66 48 105 69 141 98 161 82 166 75 88 19 123 43 18 125 126 149 81 24 71 53 36 151 49 76 94 62 129 47 127 92 80 21 100 160 14 122 77 85 51 138 109 64 165 111 143 112 146 133 83 124 140 110 119 99 148 104 27 58 37 61 101 164 93 131 34 130 26 116 86 42 114 32 28 30 35 54 159 152 38 106 46 7 33 17 55 115 65 167 107 74 12 118 142 23 154 13 108 8 150 11 162 29 134 63 73 40 16 15 56 3 2 72 91 135 156 67 5 147 25 70 4 163 157 22 6 155 90 10 68 > 32 1 -0.29 10 -0.62 11 -0.62 12 -0.62 13 -0.01 14 0.08 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.28 2 1.45 20 0.87 21 0.29 22 0.74 23 0.48 24 0.7 25 0.14 26 0.28 27 0.15 28 0.15 29 0.42 3 -0.36 30 0.15 31 0.15 34 0.37 4 -0.65 5 -0.65 6 -0.57 7 -0.36 8 -0.79 9 -0.55 > 9 > 10 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 8 donor 1 9 donor 3 10 12 23 cation 3 11 12 24 cation 6 10 11 12 22 23 24 rings 6 13 14 15 16 17 18 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 9 > 00011E4200000001 > 52.9042 > 51.735 > 12363563 72 15984823666688332611 13150687 139 17980205506910561164 15210252 30 16299255443964649676 15664445 248 18408886196681132232 17980427 23 18120906599496121464 19752476 56 18260833721616894004 20775530 9 16481378395144186486 23466295 7 10082367115944203884 23557571 272 18273205409250992753 23559900 14 18272932691491000087 238 59 18193296288900254276 312425 83 18410863165631988981 46194498 28 18340217382994227791 57527452 28 13024640247315105214 5895379 119 18410289211914326392 633830 44 17458352896762980979 > 486.54 11.08 4.14 1.94 15.82 2.37 -0.77 1.59 3.57 -2.34 1.71 -2.81 -0.67 0.05 > 994.033 > 282 > 2 5 10 $$$$