57369969 -OEChem-03292401213D 60 59 0 1 0 0 0 0 0999 V2000 3.6448 -3.7122 -0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 -4.2442 -1.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7641 2.4691 0.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 1.4422 2.2088 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -2.8391 -1.3357 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5142 -2.8850 -1.1287 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6548 -1.4426 -1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -2.3583 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -0.4575 -2.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 -2.4934 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -3.2418 1.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 -3.4666 1.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -2.7451 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3313 -1.8357 1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2661 -1.1303 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1002 0.3624 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 2.6377 -0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 2.2985 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 4.2608 -0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 1.1474 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 3.0747 -1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 2.6954 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 2.8781 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 3.6807 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 3.7784 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5193 2.1266 1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -3.2461 -2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -2.3212 -1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 -1.0512 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 -1.5264 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 -1.2972 0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 -2.8877 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8643 -3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7259 0.4717 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 -0.2082 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 -1.9424 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6020 -3.7189 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 -4.5501 -2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -3.7765 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 -4.5417 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 -3.1928 2.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 -3.0023 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3995 -1.5873 2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2946 -1.3633 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1535 -1.5112 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 0.8435 1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8777 3.0331 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3191 3.0730 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 2.6250 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 1.2062 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 5.3532 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 4.0291 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6068 0.6693 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 3.7873 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 2.3347 -0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 2.5917 -1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 2.8167 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 3.9628 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 4.0435 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4622 2.1024 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 37 1 0 0 0 0 2 6 1 0 0 0 0 2 38 1 0 0 0 0 3 26 1 0 0 0 0 3 60 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 3 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 3 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 2 3 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 21 25 2 3 0 0 0 21 57 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 3 0 0 0 23 56 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 M END > 57369969 > 1.6 > 1 73 91 6 121 156 146 72 3 108 28 90 136 66 153 36 32 100 21 129 7 33 18 130 126 14 52 154 9 62 40 19 65 109 96 48 70 76 117 143 26 86 54 34 135 43 94 61 17 111 41 157 97 83 132 45 103 56 77 4 15 127 55 138 102 16 93 71 80 115 139 107 58 29 2 151 110 42 95 64 150 133 114 84 113 155 123 74 92 63 142 37 147 141 50 57 24 38 148 98 82 20 67 149 131 79 152 23 112 125 120 11 158 5 59 105 116 22 30 44 87 27 35 8 60 85 140 122 144 53 51 69 13 101 49 99 145 78 39 31 128 81 118 25 134 119 88 89 10 137 47 106 104 68 124 46 12 75 > 37 1 -0.68 10 -0.29 11 -0.29 12 0.28 13 -0.29 14 -0.29 15 0.28 16 -0.29 17 0.28 18 0.14 19 0.28 2 -0.68 20 -0.29 21 -0.29 22 0.06 23 -0.29 24 -0.29 25 -0.29 26 0.66 3 -0.65 36 0.15 37 0.4 38 0.4 39 0.15 4 -0.57 42 0.15 43 0.15 46 0.15 5 0.28 53 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 0.28 60 0.5 8 0.14 > 15 > 8 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 9 hydrophobe 3 3 4 26 anion > 26 > 2 > 0 > 0 > 5 > 0 > 1 > 1 > 036B657100000001 > 17.7937 > 40.664 > 10794284 68 17543061738433025256 13561361 72 18335417997596357504 14647877 51 18339641140016655344 15326923 133 18271242725160798490 15968369 26 18337939092160403740 20531524 4 18336555979203674781 20764821 26 18263944283082462229 238918 7 18270108136429880888 437795 96 18410575123439441779 463206 1 17475522672636815036 > 511.59 11.6 7.96 1.68 2.16 0.43 0.01 3.13 -1.13 -0.3 0.22 -1.49 -0.62 5.54 > 973.018 > 311.4 > 2 5 10 $$$$