0 mol 26 unq 0 iso 0 dist 8.06929 4.20567 6.73259 13.5746 7.61055 10.1809 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.06929 12.729 8.60352 13.5746 7.61055 4.53839 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.58514 9.87081 6.73259 10.7796 7.61055 10.1809 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.58514 7.59337 8.60352 10.7796 7.61055 4.53839 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.85244 13.3885 7.81334 9.01955 8.69209 5.72925 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 7.63894 4.14427 7.86269 8.43244 7.54496 4.97513 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 6.17315 10.1669 7.86269 12.4268 7.54496 4.97513 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.46327 8.74935 8.42713 4.55399 7.85041 12.5605 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.46327 13.5058 8.21032 4.55399 7.85041 10.878 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 5.61533 13.8529 9.82548 9.19878 7.92876 15.3233 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.60646 15.0837 6.4752 12.0852 5.1101 4.10092 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 9.60646 15.0837 6.4752 14.0758 7.01133 4.47436 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 8.14552 4.1267 5.87912 4.96324 5.63814 6.2508 numMergedOcc 0
13 mol 151 unq 1 iso 0 dist 8.14552 7.14821 7.06678 4.96324 5.63814 5.32583 numMergedOcc 0
14 mol 151 unq 2 iso 0 dist 6.01918 4.49592 5.87912 8.48544 5.63814 6.2508 numMergedOcc 0
15 mol 151 unq 3 iso 0 dist 6.01918 6.99629 7.06678 8.48544 5.63814 5.32583 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 9.07256 5.72937 9.3832 12.2445 8.21476 14.7696 numMergedOcc 0
17 mol 163 unq 1 iso 0 dist 9.07256 5.72937 9.3832 5.48417 7.66897 9.55472 numMergedOcc 0
18 mol 163 unq 2 iso 0 dist 9.07256 10.1929 6.0247 12.2445 8.21476 6.00005 numMergedOcc 0
19 mol 163 unq 3 iso 0 dist 9.07256 10.1929 6.0247 5.48417 7.66897 6.69711 numMergedOcc 0
20 mol 163 unq 4 iso 0 dist 9.07256 6.65976 6.40873 12.2445 8.21476 9.09427 numMergedOcc 0
21 mol 163 unq 5 iso 0 dist 9.07256 6.65976 6.40873 5.48417 7.66897 5.45003 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 6.98756 11.0215 8.91912 7.28957 7.37935 6.58235 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 7.82138 5.51625 5.22349 8.80846 6.57207 7.31906 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.44607 7.76692 9.49787 4.77595 9.51311 9.33248 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 8.31175 10.0929 5.63154 5.06556 8.23056 7.73611 numMergedOcc 0
