0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 6.26276 7.28672 9.57198 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.73259 10.1809 7.61055 9.27369 5.30297 7.3022 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.60352 4.53839 7.61055 10.6535 5.30297 7.3022 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 6.12212 11.6261 8.19733 10.7242 5.14532 6.24515 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 6.12212 5.48821 8.57165 10.3419 5.93538 9.48031 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 8.19484 5.14132 5.52067 5.31016 6.32189 6.73801 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 8.19484 5.14132 5.52067 9.57818 4.85777 6.42834 numMergedOcc 0
7 mol 74 unq 0 iso 0 dist 9.43699 10.1834 4.79413 13.9577 5.74282 8.48471 numMergedOcc 0
8 mol 74 unq 1 iso 0 dist 5.23115 3.94075 4.79413 7.26263 5.74282 8.48471 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 7.86269 4.97513 7.54496 11.4116 6.44963 9.56752 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.85832 10.7037 9.89462 13.6693 10.9902 7.75012 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 9.85832 10.7037 9.89462 10.7473 4.68499 6.98158 numMergedOcc 0
12 mol 128 unq 2 iso 0 dist 7.49024 8.80709 9.89462 14.2043 10.9902 7.75012 numMergedOcc 0
13 mol 128 unq 3 iso 0 dist 7.49024 8.80709 9.89462 6.03154 4.68499 6.98158 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.5076 4.49984 8.07135 5.56565 5.71483 7.41399 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 8.5076 4.49984 8.07135 6.16862 9.78763 8.21165 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 8.5076 4.49984 8.07135 11.5778 6.9287 8.97945 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 8.5076 4.49984 8.07135 13.847 11.7983 9.50664 numMergedOcc 0
18 mol 133 unq 4 iso 0 dist 8.5076 4.49984 8.07135 9.94824 5.83691 6.71555 numMergedOcc 0
19 mol 133 unq 5 iso 0 dist 7.34386 5.80615 9.4062 6.42904 4.35684 6.51868 numMergedOcc 0
20 mol 133 unq 6 iso 0 dist 7.34386 5.80615 9.4062 10.0298 11.668 7.34698 numMergedOcc 0
21 mol 146 unq 0 iso 0 dist 5.04351 9.77501 8.68349 11.2932 7.20408 6.50043 numMergedOcc 0
22 mol 146 unq 1 iso 0 dist 5.04351 9.77501 8.68349 10.2158 6.00811 9.44952 numMergedOcc 0
23 mol 148 unq 0 iso 0 dist 5.06687 11.6995 8.12589 11.0479 7.23332 8.73468 numMergedOcc 0
24 mol 148 unq 1 iso 0 dist 5.06687 11.6995 8.12589 9.80819 7.89336 9.73927 numMergedOcc 0
25 mol 150 unq 0 iso 0 dist 5.09809 11.8035 8.11592 11.1963 7.35366 8.73558 numMergedOcc 0
26 mol 150 unq 1 iso 0 dist 5.09809 11.8035 8.11592 9.81665 7.86976 9.66129 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 6.92225 5.49464 6.39981 14.4887 10.3886 9.6096 numMergedOcc 0
28 mol 159 unq 0 iso 0 dist 9.90625 8.34466 7.13269 12.8147 7.97232 5.9032 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 9.91705 6.24616 5.49808 9.07527 6.12563 5.97685 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 9.91705 12.5567 7.96291 9.07527 6.12563 8.9289 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 7.92476 5.56759 5.49808 10.5454 6.12563 5.97685 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 7.92476 4.43465 7.96291 10.5454 6.12563 8.9289 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 7.47107 11.5684 9.77862 9.76361 7.50057 9.3402 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 13.2144 6.59663 7.73748 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 5.70326 7.49914 6.73126 9.99137 7.17477 6.43034 numMergedOcc 0
