14690973 -OEChem-09042102273D 30 29 0 0 0 0 0 0 0999 V2000 1.9624 -1.3115 -0.9036 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3773 -1.0401 1.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 1.3471 -0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -0.0016 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 1.9984 -0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 -0.6268 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1741 2.2908 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -1.9800 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 1.7758 0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 0.8454 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7797 -0.5930 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -2.7044 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 2.0277 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 1.2106 -1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 0.1207 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -0.6817 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 1.3678 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 2.9518 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6021 -0.7512 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8762 0.0403 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3569 2.9619 1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 -1.8870 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 -2.6804 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 -2.4093 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 2.0386 1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 0.9544 0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 1.0797 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 -2.8377 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 -3.1931 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 -3.1565 -1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 M END > 14690973 > 0.8 > 2 64 143 125 78 168 16 160 51 157 9 59 110 106 155 48 173 3 95 94 85 141 52 137 17 131 13 178 44 171 92 19 58 24 147 20 83 121 172 1 66 132 31 117 107 11 144 32 139 33 152 43 175 183 127 133 38 130 61 108 129 119 114 80 67 104 158 180 73 63 70 62 113 50 102 97 82 90 87 65 181 126 15 167 49 150 5 74 99 179 34 7 112 54 88 177 12 35 165 163 69 176 4 169 45 18 138 136 37 159 116 166 30 79 77 10 93 53 28 22 23 39 101 103 60 115 68 14 156 26 162 55 111 46 151 6 170 75 145 72 89 134 56 71 27 47 8 105 148 153 86 182 154 124 120 135 41 29 42 118 100 25 128 109 91 84 98 57 123 142 164 36 76 149 140 122 81 21 40 161 174 146 96 > 10 1 -0.43 10 0.2 11 0.66 12 0.28 2 -0.57 21 0.15 25 0.15 5 0.14 7 -0.29 9 -0.29 > 7 > 3 1 2 acceptor 1 8 hydrophobe 5 3 4 5 6 7 hydrophobe > 12 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 00E02A9D00000002 > 4.7798 > 15.223 > 11067466 332 18188495811984332509 14251717 144 17979348982767035335 17990270 104 18412538791071618429 19766037 51 18269854024605365231 20201158 50 18339068298832685629 20645476 183 17177727640312947644 20645477 70 18120367920566601695 20711978 78 18272357707203096661 20711983 138 17698154058839479364 20724930 14 18267304420475799567 22713034 7 18128514119989663709 2748010 2 18338220622559809997 4175511 376 15431457249946293365 568465 68 18058709408118447584 59345606 1 18338239400383401979 81228 2 17766826243738634344 8809292 202 17764871290768706766 > 235.22 4.42 3.12 1.07 3.79 0.72 0.03 2.26 0.51 -0.88 -0.47 -0.16 0.09 1.07 > 433.433 > 148.8 > 2 5 10 $$$$