0 mol 16 unq 0 iso 0 dist 6.28033 6.64634 7.65889 9.9153 6.51133 5.94982 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 11.9503 7.6114 11.0789 5.68392 6.29797 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.7212 11.1406 9.55118 16.4419 11.6378 7.58875 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.124 15.7072 8.68662 13.2119 6.56633 8.96616 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.124 15.2252 7.4369 13.2119 6.56633 6.14542 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.41567 6.65453 6.72869 4.73362 4.85247 7.46095 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.56964 6.65453 9.85905 4.73362 6.45686 7.46095 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.62246 7.15288 6.72869 7.3795 4.85247 7.46095 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.90776 5.30951 7.13008 11.0483 7.05542 8.98912 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 5.90776 5.30951 7.13008 13.24 10.9681 8.93769 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.22596 12.9651 9.90751 13.4931 6.12107 7.81446 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 8.22596 13.0711 9.21662 13.4931 6.12107 6.55173 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 8.22596 13.0711 9.21662 12.0939 5.42531 6.59691 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.62648 12.6962 7.64052 19.8226 12.0175 8.67537 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.27598 12.487 7.93372 9.95528 5.29786 9.0176 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.34465 11.1983 8.07097 12.3922 10.1386 5.92302 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.34465 11.1983 8.07097 13.2114 7.42649 5.29898 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 8.46796 11.0013 7.45998 17.4139 10.1865 8.33407 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.90247 11.9701 9.76212 11.3392 4.43096 7.35884 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.58792 11.9701 8.59874 11.3392 6.06566 7.35884 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.18245 5.68795 5.05973 10.7896 5.48529 5.99437 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.60159 5.19262 5.23634 11.9075 6.35849 9.18728 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.60159 5.19262 5.23634 11.7218 10.9607 8.91971 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 9.95045 13.3209 6.71524 11.8822 4.9377 9.9183 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.83046 8.15025 6.73665 10.3846 11.169 8.95511 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 6.83046 8.15025 6.73665 8.24494 5.88931 5.85002 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.68797 5.03816 6.35028 5.21664 12.6502 7.17958 numMergedOcc 0
