0 mol 17 unq 0 iso 0 dist 5.41678 6.84727 4.20667 9.31896 7.18716 11.2032 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.18227 4.15066 3.89371 6.75769 6.18007 7.6974 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.63855 6.49446 10.1564 5.4275 6.51901 7.25138 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.48766 6.49446 10.5761 5.4275 9.1926 7.25138 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 9.25793 8.91055 9.9082 4.3421 6.77993 10.6901 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.95777 8.8763 11.5439 4.39733 9.75833 10.09 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.03608 7.25891 7.8832 8.60792 7.59747 12.6215 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 5.51129 4.76012 4.04119 8.90391 8.42277 7.04904 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 5.51129 4.76012 4.04119 5.85476 6.26653 5.06053 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 7.06005 6.55106 4.61586 4.03856 9.40603 10.0916 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 6.8631 5.07395 4.04112 9.59663 8.20259 9.49242 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 9.56732 9.65192 5.07198 6.64891 9.08818 7.68062 numMergedOcc 0
12 mol 218 unq 1 iso 0 dist 9.56732 9.65192 5.07198 4.74501 8.5163 10.8126 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.00531 7.26569 4.81519 6.47265 6.23243 10.0507 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.00531 6.50591 4.12315 6.47265 6.23243 7.45831 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 7.38265 9.44043 3.89286 6.55101 4.98907 6.61322 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 7.68949 5.3435 3.89286 11.4781 4.98907 6.61322 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 6.14231 5.03174 3.98318 11.3526 6.67548 10.2489 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 6.14231 5.03174 3.98318 8.93485 5.57579 8.69937 numMergedOcc 0
19 mol 264 unq 2 iso 0 dist 4.68488 7.22743 3.98318 6.26054 6.67548 10.2489 numMergedOcc 0
20 mol 264 unq 3 iso 0 dist 4.68488 7.22743 3.98318 3.81537 5.57579 8.69937 numMergedOcc 0
