0 mol 4 unq 0 iso 0 dist 6.12485 6.66589 6.56189 6.21697 6.86951 9.80478 4.70233 10.361 9.71908 7.10738 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.86951 9.80478 6.56189 6.21697 6.12485 6.66589 7.10738 10.361 9.71908 4.70233 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.85416 9.99634 6.43864 12.1186 5.66803 12.0432 10.8964 7.03264 6.6003 10.8544 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 6.69898 7.57471 6.8014 3.66319 12.3694 8.50159 7.58056 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 7.57471 6.8014 5.30415 6.69898 9.90256 5.26938 7.58056 12.3694 8.50159 3.66319 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 5.62336 9.1329 5.507 5.38943 5.63748 5.26938 6.69874 8.5776 8.50159 3.66319 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 3.66319 8.5776 8.50159 6.69874 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 10.5302 9.3757 11.0565 5.16543 12.2718 6.85381 15.284 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.54778 5.97879 5.0333 8.36743 8.57909 11.646 4.45081 10.451 8.64783 10.0816 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.67606 6.09472 4.45342 5.54133 9.41083 6.20658 5.14617 9.77149 6.86946 9.9398 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.41083 6.20658 4.45342 5.54133 9.67606 6.09472 9.9398 9.77149 6.86946 5.14617 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 4.6893 7.30813 9.09725 11.3267 9.56953 8.69888 10.7476 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 7.03107 6.6776 4.51101 4.6893 7.30813 9.09725 4.44885 5.25888 5.08206 4.81365 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 9.61687 8.85111 15.8237 4.39505 8.63031 7.86625 11.2827 numMergedOcc 0
14 mol 182 unq 1 iso 0 dist 8.27913 9.36307 8.27268 11.427 6.38335 12.9992 4.39505 8.63031 7.86625 13.728 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 6.36102 7.3529 4.06334 5.4231 7.6819 10.7307 6.9794 10.7192 9.53824 11.8867 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 8.94237 5.86911 16.48 10.6403 16.0716 8.49704 14.6227 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 6.99846 9.86144 9.58343 11.8854 12.8507 8.48112 12.1621 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 9.86144 9.58343 12.2765 6.99846 6.39087 7.30244 12.1621 12.8507 8.48112 11.8854 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 8.57174 8.9077 13.8822 12.1405 6.80214 12.7786 15.8912 19.6341 7.31105 16.3039 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.25618 9.67877 15.0574 7.64421 8.70193 17.1491 9.0655 15.9916 5.73296 15.0991 numMergedOcc 0
