0 mol 1 unq 0 iso 0 dist 7.94669 7.81034 4.95929 4.93091 6.69458 9.21329 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.94669 9.19497 5.11065 4.93091 6.69458 8.54277 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 9.65377 6.3896 8.04504 5.09467 8.55161 8.90155 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.41842 5.73206 4.77227 3.93232 6.53195 5.98867 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 8.45063 6.51139 14.3405 3.84207 7.7727 7.16598 numMergedOcc 0
5 mol 41 unq 1 iso 0 dist 8.45063 6.91278 14.4796 3.84207 7.7727 9.14632 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.1662 7.09184 13.0828 14.4144 7.85738 20.0839 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.21809 7.00234 6.99469 3.65947 9.38568 10.6298 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 5.69055 7.30652 6.99469 9.48385 9.38568 10.6298 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 5.74637 8.87089 6.09578 4.56066 5.6516 5.60174 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 7.40577 5.82456 9.50189 5.40104 7.4113 9.35759 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 6.89529 9.24754 8.08989 5.5479 9.69093 12.4979 numMergedOcc 0
12 mol 165 unq 0 iso 0 dist 9.8446 9.63241 5.54803 3.36546 9.98689 9.54118 numMergedOcc 0
13 mol 165 unq 1 iso 0 dist 9.8446 9.63241 5.54803 14.9166 5.93144 10.5701 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.7013 8.57666 4.40729 3.47137 8.06007 10.4251 numMergedOcc 0
15 mol 185 unq 0 iso 0 dist 8.2968 8.85182 4.94279 5.80135 9.61525 9.44685 numMergedOcc 0
16 mol 185 unq 1 iso 0 dist 8.2968 5.7065 7.94486 5.80135 9.61525 10.1603 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.31333 6.36789 3.82682 12.2056 8.99777 8.92335 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 8.72578 7.81825 13.7573 8.03625 7.94351 14.8094 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 6.22332 6.97662 4.37243 7.99586 7.78392 6.35772 numMergedOcc 0
20 mol 246 unq 0 iso 0 dist 7.63397 8.58085 10.7108 8.86898 9.03834 16.6903 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.55211 9.54363 3.96192 9.04755 6.90472 10.3208 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 6.28023 7.8547 6.75848 7.72539 8.67957 10.4427 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.47179 9.38187 10.1749 5.42266 8.73403 13.9794 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.47179 9.38187 10.1749 5.42266 8.73403 13.9794 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.47179 9.38187 10.1749 5.42266 8.73403 13.9794 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 8.55037 9.64435 15.9813 3.83842 9.49562 12.0757 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 5.71656 9.64435 6.19638 3.83842 8.32582 12.0757 numMergedOcc 0
