0 mol 8 unq 0 iso 0 dist 6.4754 7.3795 6.23795 4.67793 9.01112 7.62333 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.57999 4.92734 8.4069 11.5556 9.01112 12.536 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.57999 6.26138 5.27819 11.5556 9.01112 13.4286 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 7.3795 6.4754 6.23795 4.67793 7.62333 9.01112 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.28932 6.83481 5.34368 6.01658 6.07517 6.74179 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 6.83481 9.28932 5.34368 6.01658 6.74179 6.07517 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 6.68311 9.96602 10.1538 8.89611 7.12321 10.9808 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 9.96602 6.68311 10.1538 9.64805 9.56773 9.35457 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 6.7212 9.08821 5.82403 11.1406 9.55118 15.0406 numMergedOcc 0
9 mol 72 unq 3 iso 0 dist 6.7212 9.08821 5.82403 8.28664 9.10345 14.0306 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.124 6.10011 5.7113 15.7072 8.68662 11.6739 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.124 6.10011 5.7113 15.2252 7.4369 10.9476 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.41567 5.56964 10.2879 6.65453 6.72869 9.85905 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 5.56964 8.41567 10.2879 6.65453 9.85905 6.72869 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.84523 9.45397 4.98336 10.5361 7.07971 11.8087 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.79004 8.43069 5.61668 5.37122 8.26547 9.05342 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.43069 9.79004 5.61668 5.37122 9.05342 8.26547 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.27598 5.57904 5.00817 4.70162 9.33924 9.55584 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 7.27598 5.57904 5.00817 12.487 7.93372 11.988 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 7.34465 9.47675 6.21253 11.1983 8.07097 11.5913 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.90247 6.58792 6.01247 11.9701 9.76212 8.59874 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 6.58792 8.90247 6.01247 11.9701 8.59874 9.76212 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.96639 5.67917 5.40359 9.54858 8.82351 11.1059 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.64276 4.87108 5.34096 4.48114 9.12776 8.69015 numMergedOcc 0
