0 mol 1 unq 0 iso 0 dist 7.68779 6.24156 12.7243 4.86523 6.86701 10.8839 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.68779 9.92098 7.4966 4.86523 6.86701 11.9335 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.0928 6.04822 5.03027 11.7941 7.05196 11.842 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 7.0928 7.72717 8.17061 11.7941 7.05196 13.599 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.16827 5.19462 5.07458 10.4149 6.75943 8.34145 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.02591 8.06358 6.9648 10.5433 6.85523 13.3506 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.02591 8.06358 6.9648 7.00354 5.77326 10.9972 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 5.49793 7.19148 5.9022 5.96801 7.90423 12.1672 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 9.51842 6.00509 10.4274 8.74594 6.53308 12.9299 numMergedOcc 0
9 mol 89 unq 1 iso 0 dist 9.51842 6.00509 10.4274 5.87704 7.47974 8.05579 numMergedOcc 0
10 mol 89 unq 2 iso 0 dist 8.25651 6.00509 6.13636 5.87704 5.51831 8.05579 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 5.09114 7.34585 6.9791 6.11558 6.00603 12.1654 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.14071 7.11486 6.16616 5.22333 5.58833 8.25397 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 7.78695 9.36133 4.48323 4.14252 9.36259 10.3977 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 6.01118 8.74572 10.8974 5.23156 7.06025 7.86352 numMergedOcc 0
15 mol 178 unq 1 iso 0 dist 6.01118 8.62441 8.44333 5.23156 7.06025 9.32938 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 9.06306 7.31478 4.72944 4.44853 7.94911 7.90657 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 8.28941 5.01648 4.64118 10.7302 7.60269 9.37602 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.62771 9.97859 13.1408 14.7797 8.82351 15.2133 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.80166 9.97859 10.4706 6.10342 9.72188 4.66186 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 6.18342 9.41222 9.19059 4.21309 6.59244 13.0697 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.49599 7.8428 9.99423 9.41512 9.46361 12.5623 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.47382 7.8428 8.81358 11.8307 5.85442 13.3349 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 9.47382 7.8428 8.81358 9.41512 6.95511 12.5623 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 6.8133 6.98961 5.50627 11.4338 9.9182 10.3673 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 6.8133 6.98961 5.50627 12.3949 8.9221 13.5486 numMergedOcc 0
