0 mol 10 unq 0 iso 0 dist 7.47015 8.57339 5.59965 17.6458 12.4032 9.39017 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.25587 4.67638 7.25951 8.59045 4.47542 7.8304 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 6.25587 10.6511 7.92012 8.59045 4.47542 5.74567 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.84763 9.17361 6.93197 10.7219 6.76331 5.56687 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.98862 7.99155 8.5315 15.0388 12.7517 8.07997 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 5.78878 5.49317 8.5315 11.1661 12.7517 8.07997 numMergedOcc 0
6 mol 32 unq 2 iso 0 dist 7.98414 10.6064 8.5315 15.7508 12.7517 8.07997 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.27601 4.95654 8.42878 13.0224 9.72019 9.58855 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.53734 13.6177 5.25109 10.6399 5.66419 8.29782 numMergedOcc 0
9 mol 171 unq 1 iso 0 dist 8.53734 16.0184 8.21618 20.9079 13.5731 7.61144 numMergedOcc 0
10 mol 171 unq 2 iso 0 dist 6.08141 9.13275 5.25109 11.1433 5.66419 8.29782 numMergedOcc 0
11 mol 171 unq 3 iso 0 dist 6.08141 11.3808 8.21618 18.0389 13.5731 7.61144 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.89987 14.8476 8.86197 14.944 8.96857 8.90567 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 5.64003 6.03369 8.26288 12.5358 14.4054 8.14859 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 9.71614 9.80925 6.60053 15.4334 9.72372 8.14859 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 9.71614 13.4246 9.36796 15.4334 9.72372 5.62421 numMergedOcc 0
16 mol 192 unq 3 iso 0 dist 8.81185 5.47621 6.60053 11.0676 9.72372 8.14859 numMergedOcc 0
17 mol 192 unq 4 iso 0 dist 8.81185 8.27422 9.36796 11.0676 9.72372 5.62421 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 6.38654 3.99122 5.92374 6.45589 4.04422 6.80544 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.77185 11.3383 5.92374 13.6292 4.04422 6.80544 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 6.99089 4.82331 7.00243 10.5862 14.8724 9.34312 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 6.99089 4.82331 7.00243 4.98594 5.01805 7.53905 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 8.97962 5.88597 5.92274 8.56431 4.17949 6.85471 numMergedOcc 0
