0 mol 20 unq 0 iso 0 dist 9.25342 7.54952 9.35248 13.9462 9.55415 8.13992 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.25342 13.9462 9.55415 7.54952 9.35248 8.13992 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.92545 9.30433 5.70814 6.4125 5.58384 3.60121 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 9.92545 6.4125 5.58384 9.30433 5.70814 3.60121 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 6.56878 11.359 9.67403 10.9697 7.28917 15.8202 numMergedOcc 0
5 mol 61 unq 0 iso 1 dist 6.56878 10.9697 7.28917 11.359 9.67403 15.8202 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.81722 5.20841 5.58346 8.70186 9.66744 9.96948 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 9.81722 8.70186 9.66744 5.20841 5.58346 9.96948 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 9.67853 10.9774 9.33202 5.07006 6.55004 6.27574 numMergedOcc 0
9 mol 83 unq 0 iso 1 dist 9.67853 5.07006 6.55004 10.9774 9.33202 6.27574 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 9.67853 10.9774 9.33202 7.44844 7.16614 7.3091 numMergedOcc 0
11 mol 83 unq 1 iso 1 dist 9.67853 7.44844 7.16614 10.9774 9.33202 7.3091 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 9.67853 10.9774 9.33202 9.4204 9.35188 11.2611 numMergedOcc 0
13 mol 83 unq 2 iso 1 dist 9.67853 9.4204 9.35188 10.9774 9.33202 11.2611 numMergedOcc 0
14 mol 83 unq 1 iso 0 dist 9.67853 5.07006 6.55004 7.44844 7.16614 5.15058 numMergedOcc 0
15 mol 83 unq 1 iso 1 dist 9.67853 7.44844 7.16614 5.07006 6.55004 5.15058 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 9.67853 5.07006 6.55004 9.4204 9.35188 8.86913 numMergedOcc 0
17 mol 83 unq 2 iso 1 dist 9.67853 9.4204 9.35188 5.07006 6.55004 8.86913 numMergedOcc 0
18 mol 83 unq 2 iso 0 dist 9.67853 7.44844 7.16614 9.4204 9.35188 4.14953 numMergedOcc 0
19 mol 83 unq 2 iso 1 dist 9.67853 9.4204 9.35188 7.44844 7.16614 4.14953 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 8.11757 6.69503 6.78043 7.80674 5.74364 4.13723 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 8.11757 7.80674 5.74364 6.69503 6.78043 4.13723 numMergedOcc 0
22 mol 102 unq 0 iso 0 dist 8.63253 5.57291 8.07962 6.91222 7.58908 5.31804 numMergedOcc 0
23 mol 102 unq 0 iso 1 dist 8.63253 6.91222 7.58908 5.57291 8.07962 5.31804 numMergedOcc 0
24 mol 102 unq 1 iso 0 dist 5.15752 5.57291 9.54857 6.91222 9.32058 5.31804 numMergedOcc 0
25 mol 102 unq 1 iso 1 dist 5.15752 6.91222 9.32058 5.57291 9.54857 5.31804 numMergedOcc 0
26 mol 108 unq 0 iso 0 dist 8.92763 11.7338 5.52402 4.89603 6.79804 7.80411 numMergedOcc 0
27 mol 108 unq 0 iso 1 dist 8.92763 4.89603 6.79804 11.7338 5.52402 7.80411 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 9.44094 12.4449 6.50727 16.4169 7.84826 5.3979 numMergedOcc 0
29 mol 197 unq 0 iso 1 dist 9.44094 16.4169 7.84826 12.4449 6.50727 5.3979 numMergedOcc 0
30 mol 197 unq 1 iso 0 dist 9.64653 4.44269 5.79753 12.7925 7.56537 10.6986 numMergedOcc 0
31 mol 197 unq 1 iso 1 dist 9.64653 12.7925 7.56537 4.44269 5.79753 10.6986 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 9.04278 5.98033 9.34989 5.37948 9.08095 3.93811 numMergedOcc 0
33 mol 214 unq 0 iso 1 dist 9.04278 5.37948 9.08095 5.98033 9.34989 3.93811 numMergedOcc 0
