0 mol 26 unq 0 iso 0 dist 8.42581 6.15893 8.95026 12.8622 17.5784 9.36924 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.42581 5.497 5.45023 5.11733 7.90721 6.7142 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 7.61055 7.3022 5.30297 10.267 6.73167 6.07276 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 8.19733 6.24515 5.14532 5.94068 7.99016 8.20298 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.19733 6.24515 5.14532 6.96883 6.41793 6.13351 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 5.52067 6.42834 4.85777 9.95354 7.56029 6.21128 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.93481 9.11258 13.9844 13.2208 19.8873 7.58739 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.93481 9.11258 13.9844 14.6599 19.1756 9.01564 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 7.93481 9.11258 13.9844 9.47022 15.602 7.11065 numMergedOcc 0
9 mol 105 unq 0 iso 0 dist 7.20953 5.03173 4.22355 4.67929 7.44838 7.77089 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.89462 6.98158 4.68499 7.201 11.4599 9.59437 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.1582 6.46089 11.5146 4.38322 10.6706 5.06564 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 7.88655 6.46089 6.60479 4.38322 8.612 5.06564 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 8.68349 6.50043 7.20408 5.93846 13.3699 9.23136 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 7.13269 5.9032 7.97232 4.27525 6.07821 9.35202 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.52987 6.32777 11.1881 5.82396 13.281 9.88897 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 5.49808 5.97685 6.12563 4.48306 9.07638 8.12266 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 5.49808 5.97685 6.12563 10.2172 14.193 9.43306 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 5.49808 5.97685 6.12563 10.9122 12.9134 8.59681 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 7.96291 8.9289 6.12563 4.88823 9.07638 8.12266 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 7.96291 8.9289 6.12563 14.2334 14.193 9.43306 numMergedOcc 0
21 mol 181 unq 6 iso 0 dist 7.96291 8.9289 6.12563 16.1796 12.9134 8.59681 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.59034 9.84492 6.71237 6.00734 10.5765 9.99396 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 9.77862 9.3402 7.50057 6.72001 6.72182 9.00322 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.79691 9.82588 11.4252 4.18074 7.87972 9.24936 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.39624 7.69296 4.23527 6.2381 8.21997 5.31416 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 7.39624 7.69296 4.23527 9.8806 9.29924 5.44533 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 7.29542 7.73748 6.59663 6.24324 7.8744 7.7086 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.1372 7.57454 4.59123 4.09934 9.43618 8.91971 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 9.31673 7.31773 5.92143 4.47008 9.11454 8.97952 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 6.94131 8.85779 9.76492 4.42663 5.4307 5.61969 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 9.84628 8.85779 13.6188 4.42663 9.85914 5.61969 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 9.80746 7.48235 14.8957 4.52322 13.5222 7.67837 numMergedOcc 0
