0 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 11.1443 12.2041 5.72491 10.1377 12.2333 5.44992 7.10621 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 10.812 6.90155 15.0254 10.6808 5.81959 18.3468 12.4135 7.63409 7.31767 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 10.812 6.90155 15.0254 10.6808 5.81959 18.6304 11.6743 8.4666 6.03987 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.90473 10.0227 8.6385 14.7561 9.78225 5.69955 20.6265 17.7357 10.6756 8.34347 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 11.5334 7.1589 13.2455 4.26409 8.00777 13.0232 6.19965 5.08358 7.95579 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 8.01724 5.25393 8.16733 13.1287 7.49897 9.97569 10.0346 10.1664 5.60279 7.89459 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.24527 3.56506 7.55384 7.4389 4.98336 5.34214 12.3794 13.4572 9.14441 8.69985 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 8.27794 8.07046 7.20392 10.4189 10.1912 6.51749 11.7245 15.0228 13.8722 9.1374 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 8.27794 8.07046 7.20392 10.4189 10.1912 6.51749 4.89429 9.09537 5.93488 5.98885 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 8.27794 8.07046 7.20392 10.4189 10.1912 6.51749 7.49827 12.9862 7.64267 9.15386 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.77347 6.2749 7.20574 10.7364 5.74635 6.85302 6.05728 7.54065 8.90184 8.87694 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.77347 6.2749 7.20574 10.7364 5.74635 6.85302 6.78177 10.7914 4.37002 9.09754 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 8.00095 8.07521 7.56091 10.0158 8.59858 8.24186 9.78296 14.186 11.7705 8.34494 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 8.00095 8.07521 7.56091 10.0158 8.59858 8.24186 5.89263 9.45579 5.63086 6.56247 numMergedOcc 0
14 mol 234 unq 2 iso 0 dist 8.00095 8.07521 7.56091 10.0158 8.59858 8.24186 12.6792 12.4862 5.6819 9.36357 numMergedOcc 0
15 mol 234 unq 3 iso 0 dist 8.00095 8.07521 7.56091 13.4063 9.82284 7.5366 5.89263 9.45579 5.63086 9.45496 numMergedOcc 0
16 mol 234 unq 4 iso 0 dist 8.00095 8.07521 7.56091 13.4063 9.82284 7.5366 12.6792 12.4862 5.6819 6.7625 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 6.94654 9.80929 7.61393 11.7526 6.85126 5.64181 16.5546 12.6642 10.216 6.22714 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 6.94654 9.80929 7.61393 11.7526 6.85126 5.64181 15.3518 13.1583 7.83352 7.31233 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 8.89487 11.3332 7.61393 8.97461 6.85126 5.64181 10.4685 12.6642 10.216 6.22714 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 8.89487 11.3332 7.61393 8.97461 6.85126 5.64181 11.6506 13.1583 7.83352 7.31233 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.2067 5.00301 7.99477 11.1938 7.26417 6.70815 9.88911 6.42289 7.42673 6.60405 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 9.16078 5.99575 7.93574 9.2067 5.30627 7.86627 9.88911 10.1675 6.44209 6.42289 numMergedOcc 0
