0 mol 1 unq 0 iso 0 dist 7.68779 9.56692 5.11735 4.86523 6.86701 5.96833 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.04193 5.99959 9.95096 7.43516 9.97769 10.7327 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.15486 5.99959 5.11205 7.43516 9.08221 10.7327 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 6.89185 5.86276 5.22036 6.12049 8.65848 5.47706 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 6.89185 5.86276 5.22036 4.94803 7.25801 8.89842 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 7.80757 8.16546 4.92509 8.07529 6.85523 5.47706 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 7.80757 8.16546 4.92509 12.9164 5.77326 8.07568 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 5.5849 8.16546 5.22036 8.07529 8.65848 5.47706 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 5.5849 8.16546 5.22036 6.52163 7.25801 8.89842 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.38977 8.78173 8.94456 4.67452 9.27976 13.2618 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 9.0339 8.2746 10.7352 3.48657 6.89918 10.4076 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 8.48641 8.2746 7.99849 3.48657 7.89457 10.4076 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 4.93035 9.82638 7.57216 6.48796 8.07097 10.25 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.72463 4.86894 5.44503 7.21648 7.36975 8.18023 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 8.72463 4.86894 5.44503 9.42107 5.40637 7.46803 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.22696 9.49122 5.2908 13.0947 9.10817 9.27218 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 6.22696 9.49122 5.2908 4.65029 9.73548 11.3514 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.06306 7.67499 11.1059 4.44853 7.94911 11.2873 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 6.83122 6.74861 6.67959 12.8946 7.46481 8.70987 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 8.28941 7.1038 5.35865 10.7302 7.60269 10.5667 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.13194 5.3853 11.0401 13.1414 9.72188 17.0286 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.2521 6.54661 10.4664 12.95 9.08509 14.4363 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 9.2521 8.97261 11.2717 12.95 9.08509 10.529 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 9.41975 9.14992 5.49433 7.09667 9.06592 12.3001 numMergedOcc 0
24 mol 238 unq 4 iso 0 dist 8.51359 6.54661 13.3539 6.44649 9.06592 12.841 numMergedOcc 0
25 mol 238 unq 5 iso 0 dist 8.51359 8.97261 14.7509 6.44649 9.06592 14.0279 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 6.18342 8.4419 7.26274 4.21309 6.59244 11.304 numMergedOcc 0
