0 mol 45 unq 0 iso 0 dist 8.26289 3.94866 5.31095 10.2854 5.27432 6.87036 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.739 14.5346 9.86479 17.3679 9.93419 6.11101 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 6.64933 4.56066 9.06249 5.74637 5.05425 5.6516 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.8458 5.21212 5.45716 9.23064 5.27337 7.4113 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 6.8458 5.21212 5.45716 10.6693 10.7729 8.53631 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 6.18881 7.06015 4.70342 9.28415 4.80049 8.12558 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 9.35927 4.87504 4.70342 11.6023 4.80049 8.12558 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.06801 12.8334 7.78215 21.0551 13.95 9.07315 numMergedOcc 0
8 mol 157 unq 0 iso 0 dist 9.9803 9.75069 9.27485 10.5511 10.3233 7.75542 numMergedOcc 0
9 mol 157 unq 1 iso 0 dist 6.09357 6.11737 5.32542 13.0495 8.29536 7.75542 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 6.83972 5.80135 8.22259 8.2968 7.4828 9.61525 numMergedOcc 0
11 mol 185 unq 1 iso 0 dist 7.6878 8.64775 8.22259 13.3025 7.4828 9.61525 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 6.38964 10.3421 7.51798 10.7989 4.91317 5.73198 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 7.01175 12.5701 8.53393 10.6204 5.62596 7.36137 numMergedOcc 0
14 mol 266 unq 1 iso 0 dist 7.01175 12.5701 8.53393 15.6038 9.61883 6.83784 numMergedOcc 0
15 mol 266 unq 2 iso 0 dist 7.01175 12.5076 7.24165 10.6204 5.62596 4.95415 numMergedOcc 0
16 mol 266 unq 3 iso 0 dist 7.01175 12.5076 7.24165 15.6038 9.61883 6.38519 numMergedOcc 0
17 mol 266 unq 4 iso 0 dist 7.50074 15.7607 8.53393 11.3014 5.62596 7.36137 numMergedOcc 0
18 mol 266 unq 5 iso 0 dist 7.50074 15.7607 8.53393 16.7609 9.61883 6.83784 numMergedOcc 0
19 mol 266 unq 6 iso 0 dist 7.50074 14.5235 7.24165 11.3014 5.62596 4.95415 numMergedOcc 0
20 mol 266 unq 7 iso 0 dist 7.50074 14.5235 7.24165 16.7609 9.61883 6.38519 numMergedOcc 0
21 mol 268 unq 0 iso 0 dist 6.9226 3.43113 6.38058 8.43164 3.28649 7.40323 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.35835 7.72539 8.87546 6.28023 6.50006 8.67957 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 7.81415 15.5185 9.74797 14.7983 9.97273 5.38739 numMergedOcc 0
24 mol 286 unq 0 iso 0 dist 9.96295 8.1401 6.87255 12.5889 6.06584 8.08382 numMergedOcc 0
25 mol 286 unq 1 iso 0 dist 8.95266 9.30848 6.87255 14.2677 6.06584 8.08382 numMergedOcc 0
