0 mol 38 unq 0 iso 0 dist 7.98333 9.70612 5.39129 4.46801 5.17241 7.68478 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 7.98333 6.46781 5.29179 4.46801 5.17241 6.87122 numMergedOcc 0
2 mol 38 unq 2 iso 0 dist 7.98333 8.19077 9.58231 4.46801 5.17241 10.434 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 6.71884 9.95691 10.9362 9.96122 9.07741 18.6042 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 6.71884 9.95691 10.9362 5.32648 8.0388 14.7308 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 6.71884 9.95691 10.9362 12.7872 9.7883 19.6517 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.95205 7.42431 4.48869 3.83194 8.48433 9.06601 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.76171 9.96969 8.71599 10.3846 7.78914 12.869 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.18505 8.94909 6.73114 4.88335 9.88156 10.3827 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.22039 8.67129 7.20524 4.40012 7.43587 10.0825 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 7.9678 6.04106 6.4623 3.95968 5.32465 7.13783 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.47309 8.47457 13.2364 3.7422 6.04509 10.0359 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.86905 6.51823 7.22173 5.61713 9.91332 6.46771 numMergedOcc 0
13 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 6.38688 9.95749 12.2125 numMergedOcc 0
14 mol 257 unq 1 iso 0 dist 8.53984 7.80336 5.86413 5.78703 9.95749 12.2125 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 8.13376 8.69345 14.41 3.94409 8.75224 10.0261 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 5.81967 5.89409 8.31727 3.42654 5.14151 8.54108 numMergedOcc 0
17 mol 265 unq 1 iso 0 dist 9.19106 7.45719 8.31727 5.12694 5.14151 8.54108 numMergedOcc 0
18 mol 265 unq 2 iso 0 dist 5.14122 8.59825 7.8929 3.99477 6.80043 5.7944 numMergedOcc 0
19 mol 265 unq 3 iso 0 dist 5.14122 7.83102 5.56416 3.99477 6.80043 9.78483 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 7.02416 9.65332 13.8873 3.64811 7.45915 12.1452 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 5.78449 9.21922 6.25168 9.8348 8.91437 14.0296 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.45634 8.99442 13.9754 11.1761 7.89784 15.9302 numMergedOcc 0
