0 mol 2 unq 0 iso 0 dist 6.52386 14.1164 9.74371 12.506 6.35342 9.97525 11.3269 9.57674 5.30739 12.4493 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.57437 10.0257 9.67498 17.7278 9.85726 15.0231 4.01354 8.94586 8.88491 16.4469 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.57437 9.33944 9.32945 17.7278 9.85726 17.302 4.01354 8.94586 11.8191 16.4469 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.94799 8.40505 5.86972 15.3073 9.23576 7.46414 5.01416 9.18985 5.60016 11.3707 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.67403 8.24748 8.30431 4.90701 9.62468 6.32949 17.1697 9.32664 10.8154 15.5028 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 7.28917 14.4616 8.30431 16.7918 9.62468 6.32949 10.4547 9.32664 10.8154 15.5028 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.52125 5.60763 7.11187 5.89399 6.78459 6.67262 12.9454 9.95103 12.8792 7.16919 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 8.52125 13.5152 6.60356 5.89399 6.78459 9.96864 12.9454 9.95103 10.0156 7.16919 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 5.52402 4.2179 9.32474 4.93762 7.29462 5.60268 5.97199 6.80069 9.54469 10.1805 numMergedOcc 0
9 mol 108 unq 1 iso 0 dist 6.79804 10.5919 9.32474 12.0414 7.29462 5.60268 6.62194 6.80069 9.54469 10.1805 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.85651 8.75242 9.07294 4.84607 8.84018 13.1243 14.4497 8.70392 12.7741 17.168 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.85651 14.0828 7.50126 4.84607 8.84018 15.9524 14.4497 8.70392 6.52556 17.168 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 7.03858 6.45333 9.07294 11.981 8.84018 13.1243 9.26708 8.70392 12.7741 17.168 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 7.03858 11.5586 7.50126 11.981 8.84018 15.9524 9.26708 8.70392 6.52556 17.168 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 4.96259 5.53632 8.78709 4.11061 6.00053 9.49952 3.97538 5.67112 4.38798 7.16549 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 9.92635 13.34 6.21267 10.0008 7.31181 11.4393 8.96895 5.5781 6.19534 6.59099 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 9.92635 13.9426 7.41743 10.0008 7.31181 6.81609 8.96895 5.5781 5.59412 6.59099 numMergedOcc 0
17 mol 183 unq 2 iso 0 dist 7.85507 9.98606 6.21267 9.95614 7.31181 11.4393 6.57004 5.5781 6.19534 6.59099 numMergedOcc 0
18 mol 183 unq 3 iso 0 dist 7.85507 11.9935 7.41743 9.95614 7.31181 6.81609 6.57004 5.5781 5.59412 6.59099 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 6.14732 7.27568 5.2851 10.9746 9.18675 5.14019 4.21811 8.61546 7.15779 10.8138 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 6.14732 7.27568 5.2851 10.9746 9.18675 5.14019 11.032 7.17024 6.10844 9.98177 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 8.74076 5.06139 6.23346 9.31615 9.54235 9.6645 4.28309 7.48445 7.30348 9.42172 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 6.64729 6.77279 13.6207 5.61261 9.69025 11.4974 8.41846 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 5.98006 7.78289 8.73077 9.79538 9.58006 16.6797 5.61261 9.69025 11.4974 8.81835 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 5.98006 5.73217 6.76656 6.64729 6.77279 10.908 5.61261 9.69025 7.39099 8.41846 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 5.98006 5.73217 6.76656 9.79538 9.58006 12.7595 5.61261 9.69025 7.39099 8.81835 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 7.52227 9.59994 8.81903 5.58906 6.60309 5.28949 7.43437 7.88479 5.20184 6.61689 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 6.83278 8.84423 8.87405 13.5373 9.82774 8.66976 4.74121 8.20933 7.3159 14.3412 numMergedOcc 0
