0 mol 48 unq 0 iso 0 dist 8.10093 8.31272 4.78298 10.679 8.96284 7.95815 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.46565 8.31272 5.26955 10.679 11.8372 7.95815 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 8.70783 9.06787 6.33588 18.2881 13.9401 9.31516 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.33457 8.82927 8.31422 4.78748 10.6984 9.98226 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 8.87502 8.82927 3.6395 4.78748 11.1833 9.98226 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 8.60797 5.90605 10.1371 7.1508 15.7271 9.07681 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 8.60797 5.90605 10.1371 5.67576 12.6205 5.9443 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 8.60797 5.90605 10.1371 5.99316 9.83793 9.24666 numMergedOcc 0
8 mol 88 unq 3 iso 0 dist 8.60797 9.0645 8.62695 5.67576 12.6205 9.16708 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 8.39198 8.59846 4.28638 8.49573 10.1114 8.75205 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 6.70803 9.6001 4.28638 9.04078 10.1114 8.75205 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.75212 6.31404 6.98797 10.6213 10.7152 7.11411 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 6.01466 7.1329 4.53842 9.77528 10.2676 7.578 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 6.01466 7.1329 4.53842 4.86985 6.04508 9.24926 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 9.05403 5.75044 4.80633 5.70694 7.03051 6.69877 numMergedOcc 0
15 mol 211 unq 1 iso 0 dist 7.10303 5.75044 5.39243 5.70694 5.97292 6.69877 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 5.73488 9.48525 7.03597 11.4962 13.473 9.0735 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 8.65067 8.76085 7.85199 5.62156 5.97154 5.81865 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 8.65067 8.76085 7.85199 8.86253 12.9559 8.25457 numMergedOcc 0
19 mol 257 unq 2 iso 0 dist 8.97581 8.76085 12.5937 5.62156 8.4903 5.81865 numMergedOcc 0
20 mol 257 unq 3 iso 0 dist 8.97581 8.76085 12.5937 8.86253 15.9542 8.25457 numMergedOcc 0
21 mol 257 unq 4 iso 0 dist 6.81706 8.76085 10.4413 5.62156 8.04644 5.81865 numMergedOcc 0
22 mol 257 unq 5 iso 0 dist 6.81706 8.76085 10.4413 8.86253 11.9681 8.25457 numMergedOcc 0
