0 mol 26 unq 0 iso 0 dist 5.29367 7.10804 6.90338 5.272 5.56136 6.06906 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.07937 7.10804 5.29322 5.272 6.58799 6.06906 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.48969 8.76177 6.1558 9.62895 10.5752 5.71236 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.40399 5.09725 6.13346 8.21723 9.3324 4.19771 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 5.59311 7.55581 6.70307 9.18505 13.9116 16.4561 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 9.22456 7.55581 11.4625 9.18505 15.5016 16.4561 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 5.7232 7.55581 12.974 9.18505 4.70999 16.4561 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.65932 5.43078 3.80626 5.82588 6.83142 3.81784 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.45384 8.41494 8.95042 9.4588 12.4341 4.98693 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 7.9801 9.82279 11.495 4.61854 6.86949 5.75022 numMergedOcc 0
10 mol 226 unq 1 iso 0 dist 6.17825 9.82279 10.0578 4.61854 5.14305 5.75022 numMergedOcc 0
11 mol 233 unq 0 iso 0 dist 6.01193 8.25961 9.31629 9.99681 6.04517 10.9953 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 7.09776 9.91099 7.33457 9.20848 3.75614 8.65216 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.61428 9.27557 6.21166 5.59164 4.34203 7.10888 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 9.33399 9.05448 5.19565 9.744 5.37052 9.74628 numMergedOcc 0
15 mol 241 unq 1 iso 0 dist 9.33399 9.05448 5.19565 7.62827 4.58303 4.36577 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 8.93002 5.80603 11.3649 8.87598 5.30516 9.33289 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.75212 8.72085 3.63328 7.78656 5.10813 3.27443 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 7.90634 8.72085 10.5636 7.78656 7.51649 3.27443 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.75212 8.72085 3.63328 7.78656 5.10813 3.27443 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 7.90634 8.72085 10.5636 7.78656 7.51649 3.27443 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.75212 8.72085 3.63328 7.78656 5.10813 3.27443 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 7.90634 8.72085 10.5636 7.78656 7.51649 3.27443 numMergedOcc 0
