0 mol 43 unq 0 iso 0 dist 9.62895 6.6657 7.20074 5.23796 11.8075 9.18371 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 8.80424 9.35212 6.89206 6.2537 6.87293 7.38759 numMergedOcc 0
2 mol 108 unq 0 iso 0 dist 8.84888 5.45787 12.692 6.97518 11.1589 7.29462 numMergedOcc 0
3 mol 108 unq 1 iso 0 dist 8.84888 5.45787 12.692 4.62224 13.0187 5.4057 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 7.95205 7.42431 4.48869 6.48732 10.2418 8.42147 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.76171 9.96969 8.71599 4.23705 11.3253 8.91606 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.79676 7.94863 11.8666 4.59384 6.00391 7.83619 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 9.79676 7.94863 11.8666 12.3068 20.5334 9.91643 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.59193 9.0847 14.0443 17.3026 21.7827 9.10619 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.59193 6.00061 7.99896 4.14546 11.3076 9.74498 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 6.51568 7.23126 12.5715 13.7733 19.3046 6.76923 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.47309 8.47457 13.2364 5.57 5.90784 7.39839 numMergedOcc 0
12 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 13.3046 6.75578 5.36776 numMergedOcc 0
13 mol 257 unq 1 iso 0 dist 8.53984 7.80336 5.86413 11.62 6.75578 5.36776 numMergedOcc 0
14 mol 257 unq 2 iso 0 dist 9.11074 8.95261 13.8679 13.3046 17.1106 5.36776 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 8.87598 5.29682 6.59107 4.98212 6.13752 6.77279 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 8.87598 6.20344 11.1778 4.98212 6.13752 9.58006 numMergedOcc 0
17 mol 259 unq 2 iso 0 dist 8.13376 8.69345 14.41 5.42001 13.2895 5.90381 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 5.81967 5.89409 8.31727 13.0023 14.8304 9.59213 numMergedOcc 0
19 mol 265 unq 1 iso 0 dist 9.19106 7.45719 8.31727 12.5955 14.8304 9.59213 numMergedOcc 0
20 mol 265 unq 2 iso 0 dist 5.14122 7.83102 5.56416 10.5845 11.8099 8.1498 numMergedOcc 0
