4149208 -OEChem-10091900423D 37 36 0 0 0 0 0 0 0999 V2000 7.0188 -0.6267 0.0150 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8917 1.3574 0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7272 0.3907 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4927 -0.5083 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -0.4287 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 0.2619 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2525 0.4714 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 -0.5894 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5406 -0.3444 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 0.2402 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7739 0.5583 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -0.6342 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0553 -0.2454 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 0.0975 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7069 0.9491 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7021 1.1268 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 -1.0800 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 -1.2391 -0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 -1.1512 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 -1.0035 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 0.8529 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 0.9831 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 1.0335 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2064 1.2049 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1112 -1.2799 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0736 -1.2058 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5982 -1.0661 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 -0.9205 0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.8587 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3766 0.9290 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8094 1.1189 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7125 1.2917 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -1.2546 0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6473 -1.3174 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0655 -0.7914 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9243 0.4196 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1638 -0.9690 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 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 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 M CHG 1 1 -1 M END > 4149208 > 1 > 1 131 71 130 29 4 55 146 117 140 120 143 42 5 64 19 11 37 31 7 89 110 28 27 18 16 135 116 20 14 40 123 142 23 108 8 41 109 106 68 9 66 3 83 2 141 34 48 62 84 50 101 53 132 119 12 87 67 139 102 99 85 17 38 58 61 144 125 54 69 26 137 65 118 63 95 51 72 81 36 138 52 128 6 13 45 127 39 49 126 122 112 44 98 35 136 113 22 103 24 78 145 25 47 10 79 93 92 97 43 129 21 82 107 59 73 88 133 60 100 115 75 114 148 32 90 124 46 30 94 147 76 105 70 15 86 56 91 111 57 121 80 77 134 96 33 74 104 > 4 1 -0.9 12 -0.11 14 0.91 2 -0.9 > 10 > 4 1 1 acceptor 1 13 hydrophobe 1 2 acceptor 3 1 2 14 anion > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 003F4FD800000001 > 1.1978 > 20.352 > 10968037 39 18342175566744438399 11315181 36 18272091609242884385 12091667 2 18411136936217877655 13533116 47 18342171112273262674 14123256 10 14477243756166865047 1420 363 17967254191130197202 14251764 18 18343303669653129105 14251764 46 16702302352117043638 15716309 27 18413387640134667399 17834076 25 18410573980861765095 18006028 8 18060418015245166521 20281389 69 18409164411324244336 20621476 8 18411419483860441087 20767249 213 18411138043211709573 21130983 4 18343023302340234929 21315763 28 18411418397207477609 22224240 67 17603302669967277755 23035841 295 9295288335575759613 23402539 116 18343015614201023886 23521765 1 18341894091245540207 33684 2 18410854352802091923 42788 4 18410855460576548228 4463277 17 18411418406092856749 8209 1 18410575084668360175 > 276.37 23.3 0.89 0.61 8.14 0.1 0 0.75 -1.19 -0.55 -0.01 0.1 0 0.09 > 500.615 > 176.9 > 2 5 10 $$$$