| [1b1fa5] | 1 | 192 | 
|---|
|  | 2 | Created by molecuilder on Wed Jun 25 00:14:08 2014, time step 0 | 
|---|
| [ebc499] | 3 | O       0       0       0.504284 | 
|---|
|  | 4 | H       0.758602        0       1.00857 | 
|---|
|  | 5 | H       0.758602        0       0 | 
|---|
|  | 6 | O       0       0       3.36143 | 
|---|
|  | 7 | H       0.758602        0       3.86571 | 
|---|
|  | 8 | H       0.758602        0       2.85714 | 
|---|
|  | 9 | O       0       0       6.21857 | 
|---|
|  | 10 | H       0.758602        0       6.72285 | 
|---|
|  | 11 | H       0.758602        0       5.71429 | 
|---|
|  | 12 | O       0       0       9.07571 | 
|---|
|  | 13 | H       0.758602        0       9.58 | 
|---|
|  | 14 | H       0.758602        0       8.57143 | 
|---|
|  | 15 | O       0       2.85714 0.504284 | 
|---|
|  | 16 | H       0.758602        2.85714 1.00857 | 
|---|
|  | 17 | H       0.758602        2.85714 0 | 
|---|
|  | 18 | O       0       2.85714 3.36143 | 
|---|
|  | 19 | H       0.758602        2.85714 3.86571 | 
|---|
|  | 20 | H       0.758602        2.85714 2.85714 | 
|---|
|  | 21 | O       0       2.85714 6.21857 | 
|---|
|  | 22 | H       0.758602        2.85714 6.72285 | 
|---|
|  | 23 | H       0.758602        2.85714 5.71429 | 
|---|
|  | 24 | O       0       2.85714 9.07571 | 
|---|
|  | 25 | H       0.758602        2.85714 9.58 | 
|---|
|  | 26 | H       0.758602        2.85714 8.57143 | 
|---|
|  | 27 | O       0       5.71429 0.504284 | 
|---|
|  | 28 | H       0.758602        5.71429 1.00857 | 
|---|
|  | 29 | H       0.758602        5.71429 0 | 
|---|
|  | 30 | O       0       5.71429 3.36143 | 
|---|
|  | 31 | H       0.758602        5.71429 3.86571 | 
|---|
|  | 32 | H       0.758602        5.71429 2.85714 | 
|---|
|  | 33 | O       0       5.71429 6.21857 | 
|---|
|  | 34 | H       0.758602        5.71429 6.72285 | 
|---|
|  | 35 | H       0.758602        5.71429 5.71429 | 
|---|
|  | 36 | O       0       5.71429 9.07571 | 
|---|
|  | 37 | H       0.758602        5.71429 9.58 | 
|---|
|  | 38 | H       0.758602        5.71429 8.57143 | 
|---|
|  | 39 | O       0       8.57143 0.504284 | 
|---|
|  | 40 | H       0.758602        8.57143 1.00857 | 
|---|
|  | 41 | H       0.758602        8.57143 0 | 
|---|
|  | 42 | O       0       8.57143 3.36143 | 
|---|
|  | 43 | H       0.758602        8.57143 3.86571 | 
|---|
|  | 44 | H       0.758602        8.57143 2.85714 | 
|---|
|  | 45 | O       0       8.57143 6.21857 | 
|---|
|  | 46 | H       0.758602        8.57143 6.72285 | 
|---|
|  | 47 | H       0.758602        8.57143 5.71429 | 
|---|
|  | 48 | O       0       8.57143 9.07571 | 
|---|
|  | 49 | H       0.758602        8.57143 9.58 | 
|---|
|  | 50 | H       0.758602        8.57143 8.57143 | 
|---|
|  | 51 | O       2.85714 0       0.504284 | 
|---|
|  | 52 | H       3.61574 0       1.00857 | 
|---|
|  | 53 | H       3.61574 0       0 | 
|---|
|  | 54 | O       2.85714 0       3.36143 | 
|---|
|  | 55 | H       3.61574 0       3.86571 | 
|---|
|  | 56 | H       3.61574 0       2.85714 | 
|---|
|  | 57 | O       2.85714 0       6.21857 | 
|---|
|  | 58 | H       3.61574 0       6.72285 | 
|---|
|  | 59 | H       3.61574 0       5.71429 | 
|---|
|  | 60 | O       2.85714 0       9.07571 | 
|---|
|  | 61 | H       3.61574 0       9.58 | 
|---|
|  | 62 | H       3.61574 0       8.57143 | 
|---|
|  | 63 | O       2.85714 2.85714 0.504284 | 
|---|
|  | 64 | H       3.61574 2.85714 1.00857 | 
|---|
|  | 65 | H       3.61574 2.85714 0 | 
|---|
|  | 66 | O       2.85714 2.85714 3.36143 | 
|---|
|  | 67 | H       3.61574 2.85714 3.86571 | 
|---|
|  | 68 | H       3.61574 2.85714 2.85714 | 
|---|
|  | 69 | O       2.85714 2.85714 6.21857 | 
|---|
|  | 70 | H       3.61574 2.85714 6.72285 | 
|---|
|  | 71 | H       3.61574 2.85714 5.71429 | 
|---|
|  | 72 | O       2.85714 2.85714 9.07571 | 
|---|
|  | 73 | H       3.61574 2.85714 9.58 | 
|---|
|  | 74 | H       3.61574 2.85714 8.57143 | 
|---|
|  | 75 | O       2.85714 5.71429 0.504284 | 
|---|
|  | 76 | H       3.61574 5.71429 1.00857 | 
|---|
|  | 77 | H       3.61574 5.71429 0 | 
|---|
|  | 78 | O       2.85714 5.71429 3.36143 | 
|---|
|  | 79 | H       3.61574 5.71429 3.86571 | 
|---|
|  | 80 | H       3.61574 5.71429 2.85714 | 
|---|
|  | 81 | O       2.85714 5.71429 6.21857 | 
|---|
|  | 82 | H       3.61574 5.71429 6.72285 | 
|---|
|  | 83 | H       3.61574 5.71429 5.71429 | 
|---|
|  | 84 | O       2.85714 5.71429 9.07571 | 
|---|
|  | 85 | H       3.61574 5.71429 9.58 | 
|---|
|  | 86 | H       3.61574 5.71429 8.57143 | 
|---|
|  | 87 | O       2.85714 8.57143 0.504284 | 
|---|
|  | 88 | H       3.61574 8.57143 1.00857 | 
|---|
|  | 89 | H       3.61574 8.57143 0 | 
|---|
|  | 90 | O       2.85714 8.57143 3.36143 | 
|---|
|  | 91 | H       3.61574 8.57143 3.86571 | 
|---|
|  | 92 | H       3.61574 8.57143 2.85714 | 
|---|
|  | 93 | O       2.85714 8.57143 6.21857 | 
|---|
|  | 94 | H       3.61574 8.57143 6.72285 | 
|---|
|  | 95 | H       3.61574 8.57143 5.71429 | 
|---|
|  | 96 | O       2.85714 8.57143 9.07571 | 
|---|
|  | 97 | H       3.61574 8.57143 9.58 | 
|---|
|  | 98 | H       3.61574 8.57143 8.57143 | 
|---|
|  | 99 | O       5.71429 0       0.504284 | 
|---|
|  | 100 | H       6.47289 0       1.00857 | 
|---|
|  | 101 | H       6.47289 0       0 | 
|---|
|  | 102 | O       5.71429 0       3.36143 | 
|---|
|  | 103 | H       6.47289 0       3.86571 | 
|---|
|  | 104 | H       6.47289 0       2.85714 | 
|---|
|  | 105 | O       5.71429 0       6.21857 | 
|---|
|  | 106 | H       6.47289 0       6.72285 | 
|---|
|  | 107 | H       6.47289 0       5.71429 | 
|---|
|  | 108 | O       5.71429 0       9.07571 | 
|---|
|  | 109 | H       6.47289 0       9.58 | 
|---|
|  | 110 | H       6.47289 0       8.57143 | 
|---|
|  | 111 | O       5.71429 2.85714 0.504284 | 
|---|
|  | 112 | H       6.47289 2.85714 1.00857 | 
|---|
|  | 113 | H       6.47289 2.85714 0 | 
|---|
|  | 114 | O       5.71429 2.85714 3.36143 | 
|---|
|  | 115 | H       6.47289 2.85714 3.86571 | 
|---|
|  | 116 | H       6.47289 2.85714 2.85714 | 
|---|
|  | 117 | O       5.71429 2.85714 6.21857 | 
|---|
|  | 118 | H       6.47289 2.85714 6.72285 | 
|---|
|  | 119 | H       6.47289 2.85714 5.71429 | 
|---|
|  | 120 | O       5.71429 2.85714 9.07571 | 
|---|
|  | 121 | H       6.47289 2.85714 9.58 | 
|---|
|  | 122 | H       6.47289 2.85714 8.57143 | 
|---|
|  | 123 | O       5.71429 5.71429 0.504284 | 
|---|
|  | 124 | H       6.47289 5.71429 1.00857 | 
|---|
|  | 125 | H       6.47289 5.71429 0 | 
|---|
|  | 126 | O       5.71429 5.71429 3.36143 | 
|---|
|  | 127 | H       6.47289 5.71429 3.86571 | 
|---|
|  | 128 | H       6.47289 5.71429 2.85714 | 
|---|
|  | 129 | O       5.71429 5.71429 6.21857 | 
|---|
|  | 130 | H       6.47289 5.71429 6.72285 | 
|---|
|  | 131 | H       6.47289 5.71429 5.71429 | 
|---|
|  | 132 | O       5.71429 5.71429 9.07571 | 
|---|
|  | 133 | H       6.47289 5.71429 9.58 | 
|---|
|  | 134 | H       6.47289 5.71429 8.57143 | 
|---|
|  | 135 | O       5.71429 8.57143 0.504284 | 
|---|
|  | 136 | H       6.47289 8.57143 1.00857 | 
|---|
|  | 137 | H       6.47289 8.57143 0 | 
|---|
|  | 138 | O       5.71429 8.57143 3.36143 | 
|---|
|  | 139 | H       6.47289 8.57143 3.86571 | 
|---|
|  | 140 | H       6.47289 8.57143 2.85714 | 
|---|
|  | 141 | O       5.71429 8.57143 6.21857 | 
|---|
|  | 142 | H       6.47289 8.57143 6.72285 | 
|---|
|  | 143 | H       6.47289 8.57143 5.71429 | 
|---|
|  | 144 | O       5.71429 8.57143 9.07571 | 
|---|
|  | 145 | H       6.47289 8.57143 9.58 | 
|---|
|  | 146 | H       6.47289 8.57143 8.57143 | 
|---|
|  | 147 | O       8.57143 0       0.504284 | 
|---|
|  | 148 | H       9.33003 0       1.00857 | 
|---|
|  | 149 | H       9.33003 0       0 | 
|---|
|  | 150 | O       8.57143 0       3.36143 | 
|---|
|  | 151 | H       9.33003 0       3.86571 | 
|---|
|  | 152 | H       9.33003 0       2.85714 | 
|---|
|  | 153 | O       8.57143 0       6.21857 | 
|---|
|  | 154 | H       9.33003 0       6.72285 | 
|---|
|  | 155 | H       9.33003 0       5.71429 | 
|---|
|  | 156 | O       8.57143 0       9.07571 | 
|---|
|  | 157 | H       9.33003 0       9.58 | 
|---|
|  | 158 | H       9.33003 0       8.57143 | 
|---|
|  | 159 | O       8.57143 2.85714 0.504284 | 
|---|
|  | 160 | H       9.33003 2.85714 1.00857 | 
|---|
|  | 161 | H       9.33003 2.85714 0 | 
|---|
|  | 162 | O       8.57143 2.85714 3.36143 | 
|---|
|  | 163 | H       9.33003 2.85714 3.86571 | 
|---|
|  | 164 | H       9.33003 2.85714 2.85714 | 
|---|
|  | 165 | O       8.57143 2.85714 6.21857 | 
|---|
|  | 166 | H       9.33003 2.85714 6.72285 | 
|---|
|  | 167 | H       9.33003 2.85714 5.71429 | 
|---|
|  | 168 | O       8.57143 2.85714 9.07571 | 
|---|
|  | 169 | H       9.33003 2.85714 9.58 | 
|---|
|  | 170 | H       9.33003 2.85714 8.57143 | 
|---|
|  | 171 | O       8.57143 5.71429 0.504284 | 
|---|
|  | 172 | H       9.33003 5.71429 1.00857 | 
|---|
|  | 173 | H       9.33003 5.71429 0 | 
|---|
|  | 174 | O       8.57143 5.71429 3.36143 | 
|---|
|  | 175 | H       9.33003 5.71429 3.86571 | 
|---|
|  | 176 | H       9.33003 5.71429 2.85714 | 
|---|
|  | 177 | O       8.57143 5.71429 6.21857 | 
|---|
|  | 178 | H       9.33003 5.71429 6.72285 | 
|---|
|  | 179 | H       9.33003 5.71429 5.71429 | 
|---|
|  | 180 | O       8.57143 5.71429 9.07571 | 
|---|
|  | 181 | H       9.33003 5.71429 9.58 | 
|---|
|  | 182 | H       9.33003 5.71429 8.57143 | 
|---|
|  | 183 | O       8.57143 8.57143 0.504284 | 
|---|
|  | 184 | H       9.33003 8.57143 1.00857 | 
|---|
|  | 185 | H       9.33003 8.57143 0 | 
|---|
|  | 186 | O       8.57143 8.57143 3.36143 | 
|---|
|  | 187 | H       9.33003 8.57143 3.86571 | 
|---|
|  | 188 | H       9.33003 8.57143 2.85714 | 
|---|
|  | 189 | O       8.57143 8.57143 6.21857 | 
|---|
|  | 190 | H       9.33003 8.57143 6.72285 | 
|---|
|  | 191 | H       9.33003 8.57143 5.71429 | 
|---|
|  | 192 | O       8.57143 8.57143 9.07571 | 
|---|
|  | 193 | H       9.33003 8.57143 9.58 | 
|---|
|  | 194 | H       9.33003 8.57143 8.57143 | 
|---|