0 mol 2 unq 0 iso 0 dist 7.12914 9.02791 4.91052 9.39919 9.8324 13.2205 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.84931 6.68029 7.09981 15.9732 8.48456 12.493 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.64392 6.44166 7.09981 9.95825 8.48456 12.493 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 7.23823 7.11464 5.39321 6.73215 6.63518 9.16388 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.1695 5.0478 11.6507 3.80217 9.96522 8.7388 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 7.38545 8.98051 4.66465 5.60539 8.42594 10.8844 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 7.08616 7.14461 10.6701 3.74583 7.10886 9.80501 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 7.08616 9.03196 10.1967 3.74583 7.10886 12.2995 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 7.83182 7.14461 7.79329 3.74583 7.83828 9.80501 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 7.83182 9.03196 12.843 3.74583 7.83828 12.2995 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 7.35639 9.82907 9.70449 6.15538 6.67941 14.2788 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.98949 8.74658 13.3682 5.7687 6.45169 12.7271 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 7.75233 9.58371 11.5292 5.784 9.08686 13.6587 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.80787 9.90113 5.81787 8.75166 9.68937 8.24791 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 8.80787 9.90113 5.81787 4.65418 6.3981 10.2054 numMergedOcc 0
15 mol 203 unq 0 iso 0 dist 9.58178 9.31742 6.40721 6.98545 7.72215 8.83947 numMergedOcc 0
16 mol 203 unq 1 iso 0 dist 9.52542 9.31742 4.76871 6.98545 5.46529 8.83947 numMergedOcc 0
17 mol 203 unq 2 iso 0 dist 9.80432 6.89817 4.76871 10.347 5.46529 8.83947 numMergedOcc 0
18 mol 203 unq 3 iso 0 dist 6.86448 6.89817 5.81172 7.21438 9.47882 10.7096 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.96503 9.47112 4.79372 7.51653 6.02053 9.9964 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.96503 9.47112 4.79372 10.6644 7.41663 11.2012 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 7.64898 9.20651 4.66376 5.27976 8.24741 6.82883 numMergedOcc 0
22 mol 226 unq 1 iso 0 dist 7.64898 9.20651 4.66376 4.67471 5.07958 8.22518 numMergedOcc 0
23 mol 226 unq 2 iso 0 dist 7.64898 9.20651 4.66376 13.1475 6.19519 6.02803 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.66923 8.03226 14.9927 10.2699 7.75366 13.6179 numMergedOcc 0
25 mol 247 unq 0 iso 0 dist 8.0367 6.76933 11.1195 14.5151 8.64941 19.1494 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 9.61808 9.00866 6.5652 12.6476 9.60855 15.4639 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.7368 5.62568 5.1517 4.64631 7.58907 8.53802 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.7368 5.62568 5.1517 4.64631 7.58907 8.53802 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.7368 5.62568 5.1517 4.64631 7.58907 8.53802 numMergedOcc 0
