0 mol 58 unq 0 iso 0 dist 6.50646 8.98939 9.94237 8.89982 13.4086 7.27383 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 7.28942 5.48788 6.4628 6.69791 6.67936 5.88354 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 7.28942 5.48788 6.4628 6.7822 10.4233 7.89665 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 7.28942 5.48788 6.4628 9.86407 10.7879 5.39354 numMergedOcc 0
4 mol 98 unq 3 iso 0 dist 7.28942 5.48788 6.4628 10.9221 8.25817 5.74854 numMergedOcc 0
5 mol 98 unq 4 iso 0 dist 7.28942 5.48788 6.4628 9.71558 14.7214 8.76566 numMergedOcc 0
6 mol 98 unq 5 iso 0 dist 7.28942 5.48788 6.4628 11.3525 15.072 8.8368 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 8.38367 8.28541 13.7557 4.41283 10.7481 7.71107 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 5.05141 8.28541 7.13575 4.41283 8.42147 7.71107 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 5.82588 8.92412 8.81081 4.37081 6.42756 6.69515 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 5.82588 8.92412 8.81081 6.23566 10.8958 7.86572 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.38695 6.96911 6.00736 8.96288 11.0902 7.73169 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.71294 8.56251 15.0159 4.51874 10.8927 4.92088 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 9.5831 9.8716 18.0439 12.2372 15.5559 9.007 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 6.86905 8.24118 11.468 10.2134 11.1188 6.66971 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 6.86905 8.24118 11.468 12.8163 12.9351 6.4398 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 6.86905 8.24118 11.468 5.88384 5.56719 7.32982 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 9.67923 7.82138 5.48898 7.66494 10.0093 6.11473 numMergedOcc 0
18 mol 252 unq 1 iso 0 dist 9.67923 9.27529 6.18497 7.66494 10.0093 6.53679 numMergedOcc 0
19 mol 252 unq 2 iso 0 dist 9.67923 9.27529 6.18497 12.8993 13.0623 7.50201 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.84057 7.92391 12.6413 4.97892 12.6622 7.71657 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 7.87939 7.92391 11.1063 4.97892 12.1634 7.71657 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 5.47073 4.37724 6.17439 9.41638 13.3489 7.91611 numMergedOcc 0
