0 mol 54 unq 0 iso 0 dist 4.22514 6.13476 5.65405 9.45804 6.10175 5.59773 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 8.44257 8.46609 6.96065 4.46881 4.96897 5.83937 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.04064 9.89618 16.1433 6.18091 8.39015 15.3867 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 7.71664 7.94863 5.63567 4.59384 7.86001 7.83619 numMergedOcc 0
4 mol 147 unq 0 iso 0 dist 7.52211 9.23551 13.5764 4.93601 4.95086 13.5686 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 6.36857 6.32876 5.24644 6.57004 9.15574 12.0692 numMergedOcc 0
6 mol 156 unq 1 iso 0 dist 6.36857 9.25604 15.0873 6.57004 9.15574 11.811 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 9.81978 7.94593 10.5343 4.75899 9.70186 10.6976 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.41494 8.84116 7.17142 9.55305 8.09373 14.3144 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 8.41494 8.16369 5.93294 9.55305 8.09373 10.8081 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 8.37114 7.40081 9.95325 11.9532 9.5045 17.1404 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 5.80603 5.29682 5.20592 10.7991 7.4294 10.3594 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 5.80603 5.29682 5.20592 9.29663 8.37253 12.6542 numMergedOcc 0
13 mol 259 unq 2 iso 0 dist 5.80603 6.20344 6.80302 10.7991 7.4294 13.8212 numMergedOcc 0
14 mol 259 unq 3 iso 0 dist 5.80603 6.20344 6.80302 9.29663 8.37253 12.3765 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 8.9413 6.78702 11.4819 6.97261 5.10595 12.3211 numMergedOcc 0
16 mol 265 unq 1 iso 0 dist 8.54733 5.89409 4.36105 13.0023 8.19772 9.59213 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 9.4945 6.70123 7.0797 6.00086 7.98871 9.98528 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 7.11605 7.1704 10.9032 11.1583 9.047 12.8659 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 7.11605 7.1704 10.9032 15.3737 9.9227 20.2501 numMergedOcc 0
20 mol 280 unq 2 iso 0 dist 7.11605 9.63837 12.5962 11.1583 9.047 19.2889 numMergedOcc 0
21 mol 280 unq 3 iso 0 dist 7.11605 9.63837 12.5962 15.3737 9.9227 22.0149 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 7.11407 9.21922 5.68413 10.6738 6.15136 10.7535 numMergedOcc 0
