0 mol 33 unq 0 iso 0 dist 6.42569 5.5138 5.52908 12.024 10.026 8.74487 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 6.42569 5.5138 5.52908 10.7134 4.77227 7.44828 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 9.13872 9.29927 5.52908 15.3553 10.026 8.74487 numMergedOcc 0
3 mol 33 unq 3 iso 0 dist 9.13872 9.29927 5.52908 13.756 4.77227 7.44828 numMergedOcc 0
4 mol 33 unq 4 iso 0 dist 7.27307 8.71323 5.52908 15.6856 10.026 8.74487 numMergedOcc 0
5 mol 33 unq 5 iso 0 dist 7.27307 8.71323 5.52908 11.5385 4.77227 7.44828 numMergedOcc 0
6 mol 33 unq 6 iso 0 dist 5.73206 10.1727 5.52908 15.6953 10.026 8.74487 numMergedOcc 0
7 mol 33 unq 7 iso 0 dist 5.73206 10.1727 5.52908 8.41842 4.77227 7.44828 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 6.72594 8.77275 8.62137 10.4189 5.95098 8.33947 numMergedOcc 0
9 mol 34 unq 1 iso 0 dist 6.72594 5.18893 5.96987 12.2856 10.0473 8.98021 numMergedOcc 0
10 mol 34 unq 2 iso 0 dist 6.72594 5.18893 5.96987 7.38663 8.39751 7.36738 numMergedOcc 0
11 mol 34 unq 3 iso 0 dist 6.44158 6.20447 8.95619 7.5203 5.80848 8.68012 numMergedOcc 0
12 mol 63 unq 0 iso 0 dist 7.09184 3.86843 7.7106 9.1662 13.0828 6.49343 numMergedOcc 0
13 mol 63 unq 1 iso 0 dist 7.09184 3.86843 7.7106 11.6253 7.15477 9.78739 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 9.82294 4.69203 7.32896 12.7747 12.4741 8.52643 numMergedOcc 0
15 mol 64 unq 1 iso 0 dist 9.82294 4.69203 7.32896 9.67624 8.05994 5.41357 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 7.00234 8.94791 8.90763 13.2189 7.913 9.32184 numMergedOcc 0
17 mol 69 unq 1 iso 0 dist 7.30652 4.2124 8.90763 10.5634 7.913 9.32184 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 8.23356 4.45483 7.06817 10.8491 7.12864 6.79959 numMergedOcc 0
19 mol 103 unq 1 iso 0 dist 8.75165 6.82008 7.06817 11.6993 8.17578 6.56481 numMergedOcc 0
20 mol 165 unq 0 iso 0 dist 9.63241 4.08841 6.89325 9.8446 5.54803 6.85551 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 5.13534 4.82806 5.86442 11.8366 8.66115 8.92801 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 9.35664 10.6976 9.02695 13.9542 10.5362 5.61326 numMergedOcc 0
23 mol 195 unq 1 iso 0 dist 9.04342 13.221 9.02695 13.7963 5.44336 7.2833 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 6.97662 4.95393 9.24959 6.22332 4.37243 7.65121 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 9.03261 4.31761 9.8349 9.5942 4.1635 8.52996 numMergedOcc 0
26 mol 226 unq 1 iso 0 dist 5.71182 4.00573 6.72708 11.34 9.6805 8.52996 numMergedOcc 0
27 mol 226 unq 2 iso 0 dist 7.67573 4.31761 6.72708 9.5942 9.6805 8.52996 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 7.21531 13.8942 9.40942 18.76 12.4027 6.9103 numMergedOcc 0
29 mol 268 unq 0 iso 0 dist 9.73984 10.5447 6.87426 15.3452 6.15589 7.87089 numMergedOcc 0
