0 mol 19 unq 0 iso 0 dist 7.50775 9.37649 8.43581 5.3532 5.72005 4.73459 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.62814 12.2276 5.85153 13.2646 9.41463 10.0644 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.13024 9.54563 7.40437 6.98976 9.08745 7.8851 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 5.05263 6.69775 7.34145 9.91799 7.99194 9.34622 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 5.05263 6.69775 7.34145 9.70034 7.80313 5.89735 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 9.78342 10.6795 9.30914 6.76244 9.67744 5.33894 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 9.4238 11.3078 7.82303 10.1677 5.31375 6.05753 numMergedOcc 0
7 mol 107 unq 1 iso 0 dist 9.4238 11.3078 7.82303 10.1326 6.49371 12.7816 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.41675 4.79878 4.48699 5.36267 8.49847 4.24991 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.62945 5.37893 8.46395 9.55695 9.34653 12.8784 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 7.62945 8.43547 6.08596 9.55695 9.34653 8.88593 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 7.26295 11.802 5.13892 11.023 4.45769 5.28603 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 7.26295 11.802 5.13892 12.3736 8.99961 10.7058 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 7.26295 12.0623 8.2232 11.023 4.45769 11.0713 numMergedOcc 0
14 mol 194 unq 3 iso 0 dist 7.26295 12.0623 8.2232 12.3736 8.99961 16.9177 numMergedOcc 0
15 mol 194 unq 4 iso 0 dist 7.31316 11.802 5.78717 11.023 5.89939 5.28603 numMergedOcc 0
16 mol 194 unq 5 iso 0 dist 7.31316 11.802 5.78717 12.3736 8.18853 10.7058 numMergedOcc 0
17 mol 194 unq 6 iso 0 dist 8.9865 10.1478 5.78717 9.72284 5.89939 5.28603 numMergedOcc 0
18 mol 194 unq 7 iso 0 dist 8.9865 10.1478 5.78717 8.10284 8.18853 10.7058 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 8.06328 6.97656 8.19578 6.13343 9.07313 11.1698 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 7.38867 9.71846 8.38453 8.846 9.81261 4.34126 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 5.16266 8.4307 8.17846 5.03747 4.98693 8.11749 numMergedOcc 0
