0 mol 41 unq 0 iso 0 dist 5.41493 6.0961 5.0364 12.0084 11.6539 6.73801 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 5.41493 6.0961 5.0364 4.08339 8.51663 6.42834 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.77553 9.61289 10.3632 7.74382 12.6647 6.61977 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.20538 7.23914 6.28202 3.63144 7.16773 5.84875 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.05508 8.17564 14.134 5.87788 13.6427 9.43355 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.05508 8.17564 14.134 15.4376 20.6305 7.9327 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 9.00229 8.17564 14.9359 5.87788 10.436 9.43355 numMergedOcc 0
7 mol 59 unq 3 iso 0 dist 9.00229 8.17564 14.9359 15.4376 22.8464 7.9327 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 8.1599 8.84323 5.49555 7.46975 4.74544 6.04903 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 9.46247 5.70192 10.331 4.31746 11.6703 9.0008 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 6.48328 5.58063 4.51489 4.08294 9.93331 7.52142 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 4.44292 7.62575 5.40375 8.61147 11.1616 9.80845 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 4.44292 7.62575 5.40375 5.45915 6.53347 7.55196 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 7.97007 8.91189 4.57561 6.69743 8.4858 5.9032 numMergedOcc 0
14 mol 159 unq 1 iso 0 dist 7.97007 8.94941 6.49376 4.49716 9.17787 6.72852 numMergedOcc 0
15 mol 159 unq 2 iso 0 dist 7.97007 8.94941 6.49376 6.69743 8.4858 8.52082 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 8.1088 9.56248 13.5291 7.6477 13.1713 8.41245 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 8.1088 9.56248 13.5291 5.04427 12.1236 6.64779 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.58911 8.45395 10.5753 12.0718 6.22122 9.06217 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.58911 5.41368 5.88819 12.0718 6.22122 7.13252 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.84952 6.17129 6.7991 6.78739 5.94469 7.05653 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 7.41378 5.83596 8.35755 11.3693 14.8638 7.05653 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.96988 9.08641 6.97485 5.18732 10.6519 9.84492 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 7.70279 9.61294 8.78722 6.36084 8.50102 7.17337 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 9.29752 9.61294 13.5597 6.36084 9.40808 7.17337 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 9.11256 8.19915 4.65302 3.93066 9.55668 7.95766 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 6.86162 7.77265 5.70464 3.87679 7.49645 7.12785 numMergedOcc 0
27 mol 243 unq 1 iso 0 dist 6.86162 9.65322 7.83758 3.87679 7.49645 6.66959 numMergedOcc 0
