0 mol 13 unq 0 iso 0 dist 5.4424 4.43066 3.53348 14.2898 9.57675 12.9382 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.85573 5.84744 9.37301 9.64095 7.42925 13.4061 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.52763 7.93171 9.4516 3.63144 9.78973 11.1705 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.70925 9.762 5.17759 7.05537 7.45801 11.049 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.70925 9.762 5.17759 7.25285 5.30477 5.7684 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 5.52402 9.14068 4.91593 5.97199 6.80069 11.0744 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 6.79804 7.90433 4.91593 6.62194 6.80069 11.0744 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.79844 6.67635 6.54844 17.8562 9.10677 13.7062 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 6.30128 4.77996 5.96497 12.1893 9.75656 10.1088 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.44788 9.10803 6.14609 6.49348 5.58734 6.18678 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 5.4772 9.67042 8.1634 6.09348 6.84818 9.60632 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 5.4772 7.95999 8.13018 6.09348 6.84818 12.9541 numMergedOcc 0
12 mol 128 unq 2 iso 0 dist 7.84607 9.01072 8.1634 5.5313 6.84818 9.60632 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 7.252 7.93715 12.8252 10.02 8.96522 17.9382 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 7.252 7.93715 12.8252 7.02086 7.04366 13.9144 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 7.252 7.93715 12.8252 11.153 9.99783 12.3002 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 9.52151 9.74779 5.05436 12.6614 9.30312 13.4617 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 6.14732 7.90991 6.55395 4.21811 8.61546 10.7057 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 6.14732 7.90991 6.55395 11.032 7.17024 10.678 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 8.88613 5.39924 7.19464 4.32578 6.86251 7.39085 numMergedOcc 0
20 mol 235 unq 1 iso 0 dist 8.88613 5.39924 7.19464 13.1619 6.20377 12.9086 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.14634 4.97796 4.89003 5.15747 9.02661 8.60027 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 4.75866 8.41945 11.481 4.34346 6.12347 11.458 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 4.75866 8.41945 11.481 11.8793 8.79637 19.1081 numMergedOcc 0
