0 mol 26 unq 0 iso 0 dist 6.73259 9.27369 5.30297 5.23054 6.73167 6.07276 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.46609 6.17217 5.66783 6.0606 6.38243 6.81793 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.37544 6.66861 8.02931 6.89662 8.4868 8.70598 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 4.92955 6.72084 8.02931 3.74852 8.4868 8.70598 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.42713 7.4518 14.7862 3.91263 7.8435 7.28831 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.42713 9.1687 9.42916 3.91263 7.8435 9.71411 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.98999 5.42828 7.60016 3.61827 9.95184 8.72725 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 7.98999 5.42828 7.60016 3.78964 11.2454 6.11407 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.1835 9.34823 9.20368 5.92411 10.2017 8.67537 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 6.4416 6.03154 5.19611 5.94952 12.062 9.59437 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 7.49024 6.03154 4.68499 5.94952 11.4599 9.59437 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 5.04351 8.09482 7.59769 5.40923 9.46908 9.10637 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 9.2042 5.60184 13.1849 5.18463 9.82982 8.71789 numMergedOcc 0
13 mol 154 unq 1 iso 0 dist 9.2042 7.08477 11.4511 5.18463 9.82982 5.2693 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 8.9822 8.88796 11.0078 9.96226 17.1982 9.76044 numMergedOcc 0
15 mol 162 unq 1 iso 0 dist 8.32464 8.88796 5.71752 9.96226 13.7928 9.76044 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 6.29631 5.51388 7.77054 14.6592 15.1189 9.15283 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.91705 9.07527 6.12563 9.00952 9.07638 8.12266 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.91705 9.07527 6.12563 8.32063 14.193 9.43306 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 9.91705 9.07527 6.12563 7.88733 12.9134 8.59681 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.47107 8.03512 8.15427 3.86206 9.996 9.32959 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 5.31079 6.32097 3.95218 5.06821 9.93097 9.23863 numMergedOcc 0
