0 mol 18 unq 0 iso 0 dist 9.74802 9.04157 15.9136 5.79003 8.09187 10.5736 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.23162 7.32472 8.50202 4.61111 8.61815 4.75881 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.00967 7.73997 4.74211 9.67906 9.28732 13.1561 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.79724 8.11993 9.67572 11.6646 6.18681 12.343 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 8.79724 8.11993 9.67572 11.9169 9.33288 15.238 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 7.77845 6.38269 5.09579 10.3632 5.45882 4.49669 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 7.77845 6.38269 5.09579 9.86085 4.57487 6.00221 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 7.77845 7.11196 5.46299 10.3632 5.45882 5.88896 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 7.77845 7.11196 5.46299 9.86085 4.57487 7.84239 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 7.90329 8.18193 8.68818 6.06647 8.61909 13.4064 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.31512 8.18193 17.3211 6.06647 5.96977 13.4064 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 6.96357 4.60192 4.18875 8.93339 9.86985 10.7448 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 6.47176 6.32254 6.33976 5.25264 9.67312 6.85902 numMergedOcc 0
13 mol 176 unq 1 iso 0 dist 8.92131 8.89556 6.33976 3.97245 9.67312 6.85902 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.62634 9.3032 13.3106 16.061 9.76225 17.4827 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.16822 7.22151 8.74865 3.64687 8.9632 9.54529 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 9.00987 7.13397 11.4575 4.38276 8.8385 8.62655 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 9.00987 5.33278 13.8433 4.38276 8.8385 9.01781 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 6.61098 8.26228 3.93329 11.3526 8.56867 11.3566 numMergedOcc 0
19 mol 264 unq 1 iso 0 dist 6.61098 8.26228 3.93329 8.93485 6.29872 9.66166 numMergedOcc 0
