0 mol 18 unq 0 iso 0 dist 9.04157 9.99878 9.7728 13.9547 7.94376 10.3745 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.32472 8.69348 6.35997 7.57532 7.37118 4.38622 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.80453 12.4087 9.07283 6.0363 9.42099 7.16993 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.45955 5.1569 9.50763 9.60691 8.99536 8.77331 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.45955 5.1569 9.50763 6.20826 5.94317 8.84883 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.61514 5.40682 6.56288 15.3449 9.13593 14.0998 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.21116 5.40682 5.97559 15.3449 8.25144 14.0998 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 9.98861 8.14775 6.02596 9.37937 8.61893 9.64845 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 9.98861 14.9764 8.17454 9.37937 8.61893 12.0042 numMergedOcc 0
9 mol 90 unq 2 iso 0 dist 5.52904 4.03085 6.02596 7.6026 8.61893 9.64845 numMergedOcc 0
10 mol 90 unq 3 iso 0 dist 5.52904 4.99029 8.17454 7.6026 8.61893 12.0042 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.91021 8.63314 8.42277 13.6412 8.98175 10.1785 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 5.5917 4.81238 8.42277 6.48813 8.98175 10.1785 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 5.55632 4.57254 8.50487 6.71173 8.90588 8.56345 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.89804 7.35256 8.78251 9.20077 5.25762 12.5102 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 7.51951 4.00824 9.2684 4.82331 7.63543 6.33919 numMergedOcc 0
16 mol 281 unq 0 iso 0 dist 8.78416 4.88562 9.05453 13.7467 6.18742 14.815 numMergedOcc 0
17 mol 281 unq 1 iso 0 dist 7.82358 5.91239 9.05453 12.8593 6.18742 14.815 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 5.06373 4.29335 5.2862 6.4111 7.74874 9.28495 numMergedOcc 0
19 mol 284 unq 1 iso 0 dist 5.06373 6.24981 5.31097 6.4111 7.74874 7.85427 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.96707 13.5162 9.03468 16.0629 9.23152 5.87907 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 7.96707 5.22713 6.05363 16.0629 9.23152 14.8133 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.96707 13.5162 9.03468 16.0629 9.23152 5.87907 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 7.96707 5.22713 6.05363 16.0629 9.23152 14.8133 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 7.96707 13.5162 9.03468 16.0629 9.23152 5.87907 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 7.96707 5.22713 6.05363 16.0629 9.23152 14.8133 numMergedOcc 0
