0 mol 45 unq 0 iso 0 dist 8.98789 4.9892 5.31095 11.951 5.85737 7.43769 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 8.98789 4.9892 5.31095 7.97558 3.61653 5.2315 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.05694 4.93472 7.90364 9.84045 6.17529 5.78969 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.69081 5.03724 7.78518 9.77237 6.30002 5.7898 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 9.15163 5.54551 8.36954 10.6745 3.57472 8.5843 numMergedOcc 0
5 mol 81 unq 1 iso 0 dist 9.70125 11.4952 8.36954 11.752 3.57472 8.5843 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.00059 4.87445 5.45716 7.78223 3.67473 5.32751 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 9.87517 14.2707 5.45716 12.2512 3.67473 5.32751 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 7.90713 10.2051 5.45716 10.0602 3.67473 5.32751 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.80185 8.52311 8.56285 11.8903 3.80087 7.90709 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 9.80185 8.52311 8.56285 7.35385 3.80763 9.03842 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 7.43587 9.68029 7.70581 13.3797 8.79381 6.12485 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 7.43587 9.68029 7.70581 9.80549 5.16197 6.0262 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 7.53552 8.01647 8.88297 14.8207 11.1423 8.03721 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 7.53552 8.01647 8.88297 12.0052 9.00149 9.87021 numMergedOcc 0
15 mol 148 unq 2 iso 0 dist 7.53552 8.01647 8.88297 11.7851 10.5863 7.34023 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 7.49948 8.04275 8.82984 14.9823 11.289 8.13558 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 7.49948 8.04275 8.82984 12.0168 9.04793 9.96938 numMergedOcc 0
18 mol 150 unq 2 iso 0 dist 7.49948 8.04275 8.82984 11.6886 10.5688 7.35268 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 6.71152 12.8215 8.63893 10.3055 3.99887 7.89384 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 9.70628 15.4972 6.56151 11.0121 4.4384 9.43169 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 9.70628 13.8486 6.58752 11.0121 4.4384 5.9438 numMergedOcc 0
22 mol 254 unq 2 iso 0 dist 7.98511 15.4972 8.3417 11.0121 6.09569 9.43169 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.30975 9.26924 8.27566 11.9529 5.18533 5.96512 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 7.66814 10.7413 7.24165 12.8347 5.26919 9.60449 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 8.91437 12.1217 9.90494 18.083 13.6429 7.36223 numMergedOcc 0
