0 mol 2 unq 0 iso 0 dist 9.74371 9.97525 6.35342 11.5183 6.3286 11.7849 5.30739 9.57674 12.4493 8.16405 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 7.11187 6.67262 6.78459 4.18245 6.03038 6.77491 12.8792 9.95103 7.16919 13.2428 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 7.11187 6.67262 6.78459 9.53861 9.21675 3.94305 12.8792 9.95103 7.16919 4.50298 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 6.60356 9.96864 6.78459 11.3097 6.03038 6.77491 10.0156 9.95103 7.16919 13.2428 numMergedOcc 0
4 mol 100 unq 3 iso 0 dist 6.60356 9.96864 6.78459 10.0584 9.21675 3.94305 10.0156 9.95103 7.16919 4.50298 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 6.4737 7.20811 9.74498 13.0157 9.61301 13.3193 11.2656 9.06844 14.4624 5.75305 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 7.8384 8.9395 12.4148 10.3139 9.27911 15.6247 9.31217 numMergedOcc 0
7 mol 175 unq 1 iso 0 dist 6.21546 5.73338 8.69888 7.8384 8.9395 12.4148 7.04147 8.57607 12.7456 6.5271 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 8.94671 4.85077 7.86625 5.38392 9.72584 3.8657 12.3479 9.68323 7.68794 9.10278 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 8.63033 12.1408 9.72979 9.30262 7.44186 6.13816 4.77368 6.69623 11.7977 6.97126 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 8.63033 9.19627 6.97859 9.30262 7.44186 9.20417 4.77368 6.69623 10.4747 6.97126 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 10.6912 8.78286 17.8124 6.15611 8.87054 18.0887 8.06815 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.00343 12.3088 9.67457 15.1716 8.78286 17.8124 10.7435 8.87054 18.0887 8.06815 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 6.41444 13.3774 9.67457 11.533 8.78286 17.8124 7.26107 8.87054 18.0887 8.06815 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 6.00654 10.1196 9.37996 12.6605 9.42537 4.97388 5.86546 5.4347 6.82989 8.05078 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 13.1019 7.94491 4.51538 11.4974 9.69025 8.41846 10.7343 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 8.73077 16.6797 9.58006 13.1019 7.94491 9.08426 11.4974 9.69025 8.81835 10.7343 numMergedOcc 0
17 mol 259 unq 2 iso 0 dist 6.76656 10.908 6.77279 12.1307 7.94491 4.51538 7.39099 9.69025 8.41846 10.7343 numMergedOcc 0
18 mol 259 unq 3 iso 0 dist 6.76656 12.7595 9.58006 12.1307 7.94491 9.08426 7.39099 9.69025 8.81835 10.7343 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 4.74716 5.93692 8.71213 6.63786 8.45077 6.40962 6.15563 8.7964 10.4903 12.5053 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 4.74716 5.93692 8.71213 6.63786 8.45077 6.40962 5.52409 7.24072 11.2696 9.87956 numMergedOcc 0
