0 mol 26 unq 0 iso 0 dist 9.10253 16.9524 9.16962 13.764 4.80984 5.69955 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 9.76145 6.02166 8.33704 15.2369 11.6542 9.31969 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 9.76145 10.1412 7.92394 15.2369 11.6542 6.54023 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.35595 6.71804 8.97793 9.42735 6.81799 4.79949 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.35595 6.71804 8.97793 9.98078 6.42322 7.27693 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 6.22513 6.71804 8.19682 9.42735 8.83525 4.79949 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 6.22513 6.71804 8.19682 9.98078 5.77727 7.27693 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.87582 7.12329 6.99777 9.03491 6.03931 5.74857 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 8.77794 5.19652 6.99777 9.73461 6.03931 5.74857 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.30874 5.114 6.94688 11.4129 10.4684 6.51749 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 5.54873 5.114 6.71012 11.4129 12.69 6.51749 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.60851 5.87898 6.95408 5.7371 4.05564 6.96521 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 9.61621 7.67708 6.15769 11.2791 13.9521 8.83356 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 5.37579 5.43761 5.90931 11.7602 10.7974 6.85441 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 8.57161 9.20027 6.99002 14.3814 11.2241 5.45036 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 8.57161 9.20027 6.99002 15.7591 9.68359 9.97586 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 6.52138 7.07333 7.19465 11.623 14.5407 7.77998 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 7.48361 6.64096 7.14834 8.14632 5.21218 9.95546 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 7.88151 13.3233 6.77938 18.9197 12.1218 8.59697 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.89613 5.56999 6.50589 8.9766 12.6784 7.4099 numMergedOcc 0
