0 mol 13 unq 0 iso 0 dist 5.4424 14.2898 9.57675 9.44958 6.67016 7.98679 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.73526 4.76385 9.89706 12.8869 11.107 9.80143 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 7.89201 3.72318 9.22331 5.9644 5.44629 5.53589 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.31624 6.68853 9.71873 10.3754 5.9876 7.62738 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.68726 4.79924 9.71873 6.53468 5.9876 7.62738 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.46882 9.80492 9.71873 5.90954 5.9876 7.62738 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.52125 12.9454 9.95103 14.226 6.04919 9.5669 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 9.82453 13.9156 8.06774 13.12 3.73122 6.12967 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.79844 17.8562 9.10677 14.5178 5.70461 6.76575 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 5.28955 4.09788 6.13508 11.5129 7.09096 9.9151 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.44788 6.49348 5.58734 6.1835 6.40944 7.12072 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.95914 13.2639 7.35385 17.6223 12.6656 6.73983 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.95914 13.2639 7.35385 20.6982 14.7644 8.6387 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 6.95914 10.9097 8.35864 17.6223 12.6656 7.64956 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.76275 13.5286 9.62138 16.1432 10.149 5.06613 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 9.51731 7.15755 8.62413 8.48559 5.16577 7.14263 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 9.48142 4.04072 9.57242 9.3832 13.5919 9.79069 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 6.14732 11.032 7.17024 12.5215 11.481 7.95359 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 6.11539 9.74489 6.67239 13.138 8.14788 7.38566 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 6.11539 6.70882 6.23146 13.138 8.14788 8.28466 numMergedOcc 0
20 mol 232 unq 2 iso 0 dist 9.71082 16.2642 6.67239 16.5269 8.14788 7.38566 numMergedOcc 0
21 mol 232 unq 3 iso 0 dist 9.71082 14.3107 6.23146 16.5269 8.14788 8.28466 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 9.37687 15.2988 7.40057 19.6666 13.0191 8.89892 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 6.98812 10.7881 7.49913 14.4106 11.5556 8.85062 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 8.14634 5.15747 9.02661 10.0577 16.9837 8.2997 numMergedOcc 0
