0 mol 25 unq 0 iso 0 dist 8.61491 12.9168 9.62401 10.8815 6.29797 6.25564 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 6.61393 6.7142 5.11733 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.07294 6.26099 6.42834 6.02913 6.21128 9.95354 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.66506 13.1044 7.10439 14.7163 8.96616 6.10063 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.66506 13.1044 7.10439 11.5216 6.14542 6.15714 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.82707 9.24886 8.10446 4.93697 8.4701 5.92399 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.18097 12.8729 6.05495 8.08787 5.05893 7.2898 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.18097 12.8729 6.05495 10.4844 5.71866 4.13305 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 8.83135 3.97167 6.05495 11.053 5.05893 7.2898 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 8.83135 3.97167 6.05495 7.97629 5.71866 4.13305 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 7.61237 10.8984 6.98158 7.98912 9.59437 7.201 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.50264 5.43722 6.93279 10.5179 7.83568 5.58312 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.46376 6.55605 5.52683 4.62155 7.58337 6.37052 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 8.68292 7.14836 6.50043 9.04815 9.23136 5.93846 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.09776 8.91682 9.3402 11.8568 9.00322 6.72001 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.57575 11.7133 9.3402 14.4463 9.00322 6.72001 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 9.30761 4.90091 9.3402 9.43879 9.00322 6.72001 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.27761 4.87212 7.17337 13.0806 9.9183 14.5281 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 8.30195 7.96744 7.48235 7.65985 7.67837 4.52322 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 7.66302 13.6577 9.24367 6.08238 9.42255 10.5027 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.67838 9.01459 5.7131 14.3247 8.6233 6.87619 numMergedOcc 0
