0 mol 36 unq 0 iso 0 dist 6.9099 6.16108 6.63518 10.3517 5.39321 9.16388 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 7.23823 6.73215 6.63518 7.11464 5.39321 9.16388 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 8.41574 10.1604 6.9055 10.3059 5.73842 9.87911 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 6.53862 8.82521 9.02712 11.3218 15.0618 9.93309 numMergedOcc 0
4 mol 162 unq 0 iso 0 dist 8.80787 8.75166 9.68937 9.90113 5.81787 8.24791 numMergedOcc 0
5 mol 162 unq 1 iso 0 dist 8.80787 4.65418 6.3981 12.2488 6.27876 9.87543 numMergedOcc 0
6 mol 203 unq 0 iso 0 dist 9.58178 6.98545 7.72215 9.31742 6.40721 8.83947 numMergedOcc 0
7 mol 203 unq 1 iso 0 dist 9.52542 6.98545 5.46529 9.31742 4.76871 8.83947 numMergedOcc 0
8 mol 203 unq 2 iso 0 dist 9.80432 10.347 5.46529 6.89817 4.76871 8.83947 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 6.61789 11.257 8.94889 10.889 4.36112 8.78652 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 6.61789 11.257 8.94889 16.31 10.7545 9.01437 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 7.64898 5.27976 8.24741 9.20651 4.66376 6.82883 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 7.64898 5.27976 8.24741 12.1968 13.3747 6.95495 numMergedOcc 0
13 mol 226 unq 2 iso 0 dist 7.64898 4.67471 5.07958 9.20651 4.66376 8.22518 numMergedOcc 0
14 mol 226 unq 3 iso 0 dist 7.64898 13.1475 6.19519 9.20651 4.66376 6.02803 numMergedOcc 0
15 mol 255 unq 0 iso 0 dist 8.01663 5.28877 7.16286 12.0654 5.92336 9.96678 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 7.35191 8.05625 6.40125 14.2723 11.8 7.88238 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.7368 4.64631 7.58907 5.62568 5.1517 8.53802 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.7368 4.64631 7.58907 5.62568 5.1517 8.53802 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.7368 4.64631 7.58907 5.62568 5.1517 8.53802 numMergedOcc 0
