0 mol 12 unq 0 iso 0 dist 5.25583 8.27891 8.15864 13.5592 10.1802 8.18296 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.25583 8.27891 8.15864 14.8056 11.8349 7.99569 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.58468 9.26114 7.34681 16.8562 16.9932 9.78918 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.58468 9.26114 7.34681 12.6265 13.5569 6.80314 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 12.6295 5.84184 6.42242 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 9.7516 4.99432 9.53081 8.31952 5.84184 6.42242 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 15.3778 8.95689 9.23947 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 9.43192 6.26086 8.43162 12.8341 11.1043 7.41937 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 9.43192 6.26086 8.43162 10.7205 12.2002 6.07108 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.93939 16.0604 8.90896 13.5801 5.00474 6.66506 numMergedOcc 0
10 mol 96 unq 0 iso 0 dist 9.25941 6.04753 8.9056 12.4555 14.7866 9.46568 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 9.42064 9.45543 6.79959 10.4929 3.96279 9.68619 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 5.56645 9.91621 8.53914 8.82036 6.12935 9.13614 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 5.58346 8.38134 6.53824 11.3355 10.5909 9.2638 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 7.09179 8.38134 6.61973 11.3355 6.2875 9.2638 numMergedOcc 0
15 mol 116 unq 2 iso 0 dist 6.24768 5.88698 6.53824 13.7943 10.5909 9.2638 numMergedOcc 0
16 mol 116 unq 3 iso 0 dist 9.31875 5.88698 6.61973 13.7943 6.2875 9.2638 numMergedOcc 0
17 mol 124 unq 0 iso 0 dist 8.45451 12.0208 7.18976 17.383 11.7124 9.18949 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.25968 10.9848 9.88178 15.5174 13.5143 7.50264 numMergedOcc 0
19 mol 137 unq 0 iso 0 dist 9.85023 11.3759 9.1425 18.1334 9.84058 9.92905 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 9.89646 12.352 5.32865 6.6094 5.30729 8.40219 numMergedOcc 0
21 mol 147 unq 1 iso 0 dist 9.9332 10.4422 5.32865 8.514 5.30729 8.40219 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 9.65489 7.26405 8.51153 11.8034 5.3597 8.28295 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 9.85507 5.58779 6.50756 13.4905 11.1785 8.32948 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 7.61854 8.73194 7.74348 11.2373 8.64384 8.88405 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 7.61854 8.73194 7.74348 7.87572 9.7977 7.13854 numMergedOcc 0
