0 mol 16 unq 0 iso 0 dist 6.04965 6.20183 6.29703 5.8404 4.86568 5.64581 10.7158 5.39064 7.65729 8.4361 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.75381 5.48497 8.47315 5.50193 4.7319 5.59769 9.51752 5.40044 7.72142 6.28033 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 5.79411 6.82817 9.01767 6.03768 7.36792 6.42572 15.2753 13.9809 9.61113 12.1389 numMergedOcc 0
3 mol 102 unq 1 iso 0 dist 5.79411 6.82817 9.01767 6.03768 7.36792 6.42572 7.58293 5.09542 7.73836 9.84673 numMergedOcc 0
4 mol 102 unq 2 iso 0 dist 5.79411 10.6581 9.80678 6.03768 7.36792 5.54551 15.2753 13.9809 7.59973 12.1389 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.98848 14.6332 9.85576 14.6144 7.90328 10.4589 13.9732 5.21051 8.30003 7.0318 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.98848 14.6332 9.85576 10.0436 7.83136 14.2649 13.9732 5.21051 8.30003 11.0698 numMergedOcc 0
7 mol 117 unq 2 iso 0 dist 8.98848 14.6332 9.85576 6.81312 7.0603 9.53886 13.9732 5.21051 8.30003 10.5123 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.44766 9.91056 8.97145 7.69184 6.85062 14.257 8.91629 5.29825 5.50364 12.0117 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.44766 4.56884 6.5874 7.69184 6.85062 7.60371 8.91629 5.29825 8.7301 12.0117 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.33638 13.5629 8.49704 15.9383 9.65138 12.4611 11.6107 5.68711 5.69733 13.6328 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 9.33638 13.5629 8.49704 7.31241 7.14453 11.832 11.6107 5.68711 5.69733 11.6154 numMergedOcc 0
12 mol 214 unq 2 iso 0 dist 9.33638 13.5629 8.49704 17.0758 8.85478 10.644 11.6107 5.68711 5.69733 11.5105 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.05754 11.6352 7.31105 15.9524 9.23153 14.6296 13.6501 9.20027 4.3362 17.1012 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 9.05754 11.6352 7.31105 10.0641 8.24498 9.52692 13.6501 9.20027 4.3362 13.6374 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.94587 15.1802 9.75174 4.3284 6.57393 13.477 15.5262 6.53984 6.32593 12.6391 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.73858 11.2409 6.37342 7.43079 6.16342 5.29737 12.9987 4.77446 4.21935 6.83046 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 9.14351 10.0482 7.29898 12.1004 7.57994 6.6173 14.0205 8.68833 5.66519 10.291 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 9.14351 10.0482 7.29898 9.40115 6.18582 8.95486 14.0205 8.68833 5.66519 12.7977 numMergedOcc 0
19 mol 249 unq 2 iso 0 dist 9.14351 14.5045 8.91685 12.1004 7.57994 5.25611 14.0205 8.68833 6.50067 10.291 numMergedOcc 0
20 mol 249 unq 3 iso 0 dist 9.14351 14.5045 8.91685 9.40115 6.18582 9.66184 14.0205 8.68833 6.50067 12.7977 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 6.97104 12.6916 9.05218 12.2532 9.8993 5.72513 14.6903 9.58401 7.35537 12.5562 numMergedOcc 0
22 mol 276 unq 1 iso 0 dist 6.97104 12.6916 9.05218 5.58984 6.87396 8.86096 14.6903 9.58401 7.35537 13.4249 numMergedOcc 0
23 mol 276 unq 2 iso 0 dist 8.63281 11.5683 9.05218 12.388 9.8993 5.72513 13.4701 9.58401 7.35537 12.5562 numMergedOcc 0
24 mol 276 unq 3 iso 0 dist 8.63281 11.5683 9.05218 6.58819 6.87396 8.86096 13.4701 9.58401 7.35537 13.4249 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 6.86014 9.93994 6.90434 4.83355 9.7748 13.2927 17.4444 16.2915 9.42812 20.3589 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 5.97073 9.83255 6.90434 11.2857 9.7748 13.2927 18.3037 16.2915 9.42812 20.3589 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 6.49176 11.3539 6.90434 14.4976 9.7748 13.2927 20.3254 16.2915 9.42812 20.3589 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 9.60619 6.56932 8.13489 9.96126 9.70696 5.51096 9.65416 5.31331 8.66917 12.6214 numMergedOcc 0
