0 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 5.86882 5.47982 8.21811 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 7.6222 4.87192 12.7968 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 7.6222 4.87192 9.54357 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.24958 8.87744 7.55689 11.7026 4.87192 11.9118 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.24958 7.27472 5.11135 11.7026 4.87192 8.70016 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 5.52519 5.44124 13.0539 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.90155 4.79873 6.86525 7.19007 5.44124 7.21175 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 6.90155 9.48085 13.7717 7.19007 5.44124 16.2204 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 6.77886 9.03564 10.5332 9.56076 9.53772 17.757 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 6.77886 9.03564 10.5332 11.2895 7.3576 17.5393 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.04044 9.73086 7.8972 8.00278 9.22853 8.95637 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.73253 8.68662 10.9746 10.4159 9.22853 11.5823 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.73253 7.4369 7.8972 10.4159 9.22853 8.95637 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.65802 9.33861 10.2518 5.44942 9.93806 13.606 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.67766 9.77497 9.03468 9.44195 7.04752 14.849 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 8.0831 9.89083 11.0597 4.26194 7.04752 11.5618 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.55137 8.81779 4.22806 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 6.42493 8.81779 4.22806 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 7.25742 9.36259 5.34453 7.44124 8.02691 12.6782 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 6.38157 7.46481 5.73082 10.2428 7.48626 9.00312 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 9.18895 9.7982 6.47351 6.71553 7.87985 6.77853 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 10.225 9.33639 12.9728 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 6.6561 9.09424 5.94765 10.225 9.33639 14.9754 numMergedOcc 0
23 mol 225 unq 3 iso 0 dist 6.6561 8.14831 11.2847 10.225 9.33639 13.7661 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 6.21901 7.14633 9.37214 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 13.798 9.94302 10.2685 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 6.29394 7.14633 9.37214 numMergedOcc 0
27 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 10.9445 9.94302 10.2685 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 3.6688 8.62955 9.03266 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 5.31728 7.80862 8.05127 6.40962 5.04032 11.3287 numMergedOcc 0
