0 mol 67 unq 0 iso 0 dist 8.65898 7.33586 6.99398 12.3455 4.72525 7.77954 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 8.65898 13.1954 8.64208 12.3455 4.72525 6.0478 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 4.99966 4.36597 7.55805 9.7171 6.29991 9.39702 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 7.98999 3.98564 6.48223 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.35868 5.58465 7.44784 11.9843 5.61704 8.99731 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 4.98864 9.35695 9.56867 11.2871 7.3094 8.99731 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 7.95871 11.703 9.56867 14.361 7.3094 8.99731 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.49877 7.43279 9.05626 7.39532 5.97111 4.85559 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.23399 7.10961 9.04554 9.2042 6.55507 6.31314 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 9.63873 13.739 6.56115 11.5745 6.94217 9.02124 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 17.5812 10.3157 9.69541 numMergedOcc 0
11 mol 167 unq 1 iso 0 dist 8.43038 5.44954 8.58946 10.0966 10.3157 9.69541 numMergedOcc 0
12 mol 167 unq 2 iso 0 dist 9.87966 9.15105 8.58946 10.8829 10.3157 9.69541 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.07091 5.24208 6.01711 7.68295 5.487 6.81707 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 8.1088 4.52935 8.70197 5.76772 5.5127 7.70692 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 24.3627 15.2 6.40445 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 5.36829 4.87713 9.40003 11.0761 15.2 6.40445 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 9.73983 13.4973 7.6414 17.5729 8.57648 6.40153 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.59986 6.31111 7.72749 8.25445 7.26083 7.25797 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 9.96394 12.1122 4.78812 16.9819 8.7909 7.11691 numMergedOcc 0
