0 mol 11 unq 0 iso 0 dist 8.22232 10.94 5.40468 11.2611 5.11518 5.25331 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.34508 7.93357 5.47299 10.0564 5.19841 4.79838 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.78023 11.213 9.55284 16.9772 11.3794 7.02387 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.78023 11.213 9.55284 14.2316 9.78889 4.74786 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.79657 10.6247 8.52681 14.2316 10.1477 6.11249 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.26536 7.30094 4.36944 9.56188 4.82789 7.46819 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 7.21779 5.19808 6.81144 9.15112 4.76541 5.69323 numMergedOcc 0
7 mol 193 unq 0 iso 0 dist 7.71716 3.72752 9.50113 9.42057 11.453 6.21648 numMergedOcc 0
8 mol 193 unq 1 iso 0 dist 8.71993 16.1667 9.50113 19.5463 11.453 6.21648 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 6.02053 6.20494 4.93303 11.639 7.98763 9.81165 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 7.41663 5.10421 4.93303 10.4842 7.98763 9.81165 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 7.0412 9.71885 6.35772 12.1136 5.21366 8.9632 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 8.09971 12.157 9.45974 16.3576 10.7923 8.29523 numMergedOcc 0
13 mol 228 unq 1 iso 0 dist 6.97798 11.1565 9.86348 14.3964 10.784 8.13557 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.80073 7.79949 9.58325 9.10967 4.81796 8.08777 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 9.82057 7.14354 4.37138 10.5071 4.47004 5.50017 numMergedOcc 0
16 mol 239 unq 2 iso 0 dist 9.82057 7.14354 4.37138 11.0959 7.14566 9.99181 numMergedOcc 0
17 mol 239 unq 3 iso 0 dist 7.10828 10.0889 5.4687 6.31114 4.74711 6.16848 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.13605 8.05498 4.76164 16.5135 9.42262 8.8385 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.47385 10.2357 5.44942 15.8904 9.9901 7.1388 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 8.44356 10.2357 7.82157 15.8904 9.74355 7.1388 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 8.47385 10.2357 5.44942 15.8904 9.9901 7.1388 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 8.44356 10.2357 7.82157 15.8904 9.74355 7.1388 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.47385 10.2357 5.44942 15.8904 9.9901 7.1388 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 8.44356 10.2357 7.82157 15.8904 9.74355 7.1388 numMergedOcc 0
