0 mol 20 unq 0 iso 0 dist 7.67558 7.5037 4.15066 5.29984 6.90375 4.99489 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 7.7946 6.80592 4.3761 4.34749 7.00373 4.45424 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 7.7946 9.55396 5.84583 4.34749 7.00373 9.47873 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 8.25469 11.721 5.64099 4.83228 9.43616 10.9042 numMergedOcc 0
4 mol 99 unq 1 iso 0 dist 8.25469 11.721 5.64099 4.64414 8.43048 9.91993 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.50734 7.6087 9.04398 10.2828 7.77845 9.89157 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 8.79685 15.5711 8.94007 12.2612 7.88785 4.30798 numMergedOcc 0
7 mol 187 unq 0 iso 0 dist 9.469 10.2744 8.45366 5.11961 6.00248 5.94354 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 8.81381 10.5679 9.77491 4.77757 6.21984 6.66018 numMergedOcc 0
9 mol 243 unq 0 iso 0 dist 8.41696 5.85325 6.5095 8.74906 9.8043 12.428 numMergedOcc 0
10 mol 243 unq 1 iso 0 dist 8.41696 4.78309 5.1766 8.74906 9.8043 7.69259 numMergedOcc 0
11 mol 252 unq 0 iso 0 dist 7.24226 7.47327 9.01177 8.26489 8.16932 7.31906 numMergedOcc 0
12 mol 252 unq 1 iso 0 dist 7.24226 7.47327 9.01177 5.76518 6.94065 12.2338 numMergedOcc 0
13 mol 252 unq 2 iso 0 dist 7.24226 6.71515 9.15686 8.26489 8.16932 13.4808 numMergedOcc 0
14 mol 252 unq 3 iso 0 dist 7.24226 6.71515 9.15686 5.76518 6.94065 4.38445 numMergedOcc 0
15 mol 252 unq 4 iso 0 dist 7.46598 12.553 9.01177 13.9601 8.16932 7.31906 numMergedOcc 0
16 mol 252 unq 5 iso 0 dist 7.46598 12.553 9.01177 7.10197 6.94065 12.2338 numMergedOcc 0
17 mol 252 unq 6 iso 0 dist 7.46598 4.81381 9.15686 13.9601 8.16932 13.4808 numMergedOcc 0
18 mol 252 unq 7 iso 0 dist 7.46598 4.81381 9.15686 7.10197 6.94065 4.38445 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 7.5129 13.8952 8.79012 12.4286 8.76664 16.6519 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 7.5129 13.8952 8.79012 5.54289 9.00987 14.2669 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 8.46756 8.39676 4.60602 8.04907 9.4555 12.734 numMergedOcc 0
22 mol 270 unq 1 iso 0 dist 6.86295 8.39676 6.62637 8.04907 9.94203 12.734 numMergedOcc 0
23 mol 270 unq 2 iso 0 dist 8.66113 10.3059 6.62637 13.4499 9.94203 12.734 numMergedOcc 0
