0 mol 5 unq 0 iso 0 dist 6.40459 5.04052 4.59167 7.06929 7.89217 9.06678 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.40459 5.04052 4.59167 5.80953 6.99733 9.13355 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.58084 8.87863 4.59167 13.0288 7.89217 9.06678 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.58084 8.87863 4.59167 7.18062 6.99733 9.13355 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 9.8143 6.46284 15.7348 6.89121 8.81964 12.7681 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 6.9099 6.02824 7.55403 6.16108 6.63518 10.5841 numMergedOcc 0
6 mol 36 unq 1 iso 0 dist 7.23823 6.1084 7.55403 6.73215 6.63518 10.5841 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 8.34435 7.12529 3.54989 9.42688 4.80247 7.89184 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 8.34435 8.4185 4.67834 9.42688 4.80247 5.91948 numMergedOcc 0
9 mol 56 unq 2 iso 0 dist 8.34435 8.65122 12.4373 9.42688 4.80247 14.6248 numMergedOcc 0
10 mol 81 unq 0 iso 0 dist 8.41574 7.062 9.66553 10.1604 6.9055 14.8542 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 7.6104 6.61587 6.70737 14.0631 7.9309 14.6116 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 7.6104 8.24464 11.1208 14.0631 7.9309 18.3811 numMergedOcc 0
13 mol 86 unq 0 iso 0 dist 8.8236 7.19148 4.50855 5.80063 9.67574 10.6594 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 8.38998 8.27843 5.2677 10.9086 9.00302 11.6946 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 7.35639 6.68983 11.1196 6.15538 6.67941 10.0179 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.53862 8.64976 8.8108 7.587 9.82274 11.5101 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 6.53862 8.64976 8.8108 8.82521 9.02712 16.2819 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 6.53862 9.52159 5.94139 7.587 9.82274 11.7417 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 6.53862 9.52159 5.94139 8.82521 9.02712 14.7007 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.67331 8.61511 7.45747 12.8386 8.15734 14.5842 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.67331 8.61511 7.45747 3.94348 6.00896 6.41759 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 7.75233 6.22696 4.12311 5.784 9.08686 10.1167 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 8.80787 8.64101 12.2255 8.75166 9.68937 11.6207 numMergedOcc 0
24 mol 162 unq 1 iso 0 dist 8.80787 8.64101 12.2255 4.65418 6.3981 12.0948 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 8.96503 7.63908 3.73699 7.51653 6.02053 7.18098 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 8.96503 7.63908 3.73699 10.6644 7.41663 10.1621 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 8.66923 9.97859 4.70535 10.2699 7.75366 5.41453 numMergedOcc 0
28 mol 247 unq 0 iso 0 dist 6.63325 5.97717 3.42642 9.2034 8.64941 5.52484 numMergedOcc 0
29 mol 255 unq 0 iso 0 dist 8.01663 8.08403 8.06922 5.28877 7.16286 11.5041 numMergedOcc 0
