0 mol 30 unq 0 iso 0 dist 7.2159 8.98564 10.4174 5.80534 5.09775 9.85891 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.2159 7.51725 5.53262 5.80534 5.09775 4.94024 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 8.93093 8.98564 7.91033 5.80534 5.46756 9.85891 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 8.93093 7.51725 4.79123 5.80534 5.46756 4.94024 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 9.98353 8.55202 10.3583 8.79378 11.8315 9.44812 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 9.3913 7.30651 8.14778 8.7531 5.47272 10.1267 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 9.3913 7.30651 8.14778 7.25138 12.5032 5.98227 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 6.02034 7.32064 8.76068 8.48827 13.1307 6.99884 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 6.02034 7.32064 8.76068 7.14048 10.7383 3.75261 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 6.02034 5.24136 6.05023 8.48827 13.1307 7.80916 numMergedOcc 0
10 mol 78 unq 3 iso 0 dist 6.02034 5.24136 6.05023 7.14048 10.7383 5.07608 numMergedOcc 0
11 mol 78 unq 4 iso 0 dist 6.02034 6.44687 5.10057 8.48827 13.1307 12.6024 numMergedOcc 0
12 mol 78 unq 5 iso 0 dist 6.02034 6.44687 5.10057 7.14048 10.7383 11.1395 numMergedOcc 0
13 mol 78 unq 6 iso 0 dist 6.02034 5.85007 11.6562 8.48827 13.1307 4.75637 numMergedOcc 0
14 mol 78 unq 7 iso 0 dist 6.02034 5.85007 11.6562 7.14048 10.7383 5.62063 numMergedOcc 0
15 mol 78 unq 8 iso 0 dist 6.77808 4.62314 8.76068 8.03895 13.1307 6.99884 numMergedOcc 0
16 mol 78 unq 9 iso 0 dist 6.77808 4.62314 8.76068 5.68873 10.7383 3.75261 numMergedOcc 0
17 mol 78 unq 10 iso 0 dist 6.77808 4.41745 6.05023 8.03895 13.1307 7.80916 numMergedOcc 0
18 mol 78 unq 11 iso 0 dist 6.77808 4.41745 6.05023 5.68873 10.7383 5.07608 numMergedOcc 0
19 mol 78 unq 12 iso 0 dist 6.77808 6.35234 11.6562 8.03895 13.1307 4.75637 numMergedOcc 0
20 mol 78 unq 13 iso 0 dist 6.77808 6.35234 11.6562 5.68873 10.7383 5.62063 numMergedOcc 0
21 mol 79 unq 0 iso 0 dist 8.71103 8.59739 6.2804 7.06029 8.14479 5.70329 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 6.59382 9.68629 14.2039 6.04223 7.41773 7.54661 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 5.57712 9.43496 12.6233 8.14427 10.2236 3.70642 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 9.79844 6.67635 6.54844 6.3323 5.26527 3.54756 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 8.63018 8.09774 4.79473 7.84813 6.14663 9.87781 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.71223 9.18289 5.32701 6.99587 5.56574 4.97041 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 9.71223 9.18289 5.32701 4.37577 7.76011 6.50779 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 9.71223 6.52441 10.2318 6.99587 5.56574 4.75583 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 9.71223 6.52441 10.2318 4.37577 7.76011 3.11607 numMergedOcc 0
30 mol 186 unq 4 iso 0 dist 9.71223 6.26168 9.33116 6.99587 5.56574 5.53349 numMergedOcc 0
31 mol 186 unq 5 iso 0 dist 9.71223 6.26168 9.33116 4.37577 7.76011 4.65666 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 7.252 7.93715 12.8252 5.05414 9.52346 3.41605 numMergedOcc 0
33 mol 192 unq 1 iso 0 dist 7.252 7.93715 12.8252 7.16964 6.78691 7.59825 numMergedOcc 0
34 mol 196 unq 0 iso 0 dist 7.42783 8.76076 6.08875 9.34759 10.6969 15.8037 numMergedOcc 0
35 mol 196 unq 1 iso 0 dist 7.42783 4.36496 5.22098 9.34759 10.6969 10.0295 numMergedOcc 0
36 mol 196 unq 2 iso 0 dist 7.42783 7.34995 10.3324 9.34759 10.6969 6.367 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 8.88613 5.39924 7.19464 9.82099 13.1753 14.4239 numMergedOcc 0
38 mol 255 unq 0 iso 0 dist 8.22083 7.7177 5.14773 7.80616 6.60718 3.76507 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 8.26851 4.97796 5.9397 9.82713 13.8247 10.6981 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 8.14634 4.97796 4.89003 9.82713 9.90818 10.6981 numMergedOcc 0
41 mol 278 unq 0 iso 0 dist 6.97456 9.54428 10.3886 9.93392 12.1009 3.20775 numMergedOcc 0
42 mol 283 unq 0 iso 0 dist 7.90132 8.4275 12.1132 9.35302 7.27864 13.7144 numMergedOcc 0
43 mol 283 unq 1 iso 0 dist 7.90132 8.4275 12.1132 8.85163 13.4741 3.12129 numMergedOcc 0
