0 mol 1 unq 0 iso 0 dist 9.02815 5.60534 7.46399 6.91269 9.84681 3.81243 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 9.74371 5.30739 9.57674 14.1709 7.93028 11.2848 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 11.3175 7.78475 13.0891 9.07969 5.61827 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.04551 11.3175 7.78475 14.1866 9.61448 8.4772 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.01454 10.7098 6.99001 12.665 8.94842 5.20775 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.01454 10.7098 6.99001 14.1985 9.9555 8.11954 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.3473 14.0821 8.8633 10.6331 6.46589 3.91131 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.14932 10.713 8.8633 8.87081 6.46589 3.91131 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 3.87167 7.14194 9.99691 11.6088 9.43916 16.8856 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.328 9.55939 9.71873 7.16384 8.16712 13.0054 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.954 16.1423 9.25835 8.39434 9.95076 16.3342 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 8.954 16.1423 9.25835 4.92282 7.76112 14.6018 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 6.21267 6.19534 5.5781 5.49911 8.41645 6.21643 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 7.41743 5.59412 5.5781 10.5387 8.41645 6.21643 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 9.45847 8.78943 5.0207 16.6018 9.16535 10.6777 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 7.30965 11.0867 8.96522 12.8803 7.578 6.61715 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 7.30965 8.67274 7.04366 12.8803 7.578 6.01624 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 7.30965 10.3343 9.99783 12.8803 7.578 13.4418 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 8.63033 4.77368 6.69623 4.61338 5.83021 5.70985 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 8.02214 4.77368 6.21951 4.61338 9.18711 5.70985 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 6.24111 6.15611 8.87054 7.28395 9.11574 10.1113 numMergedOcc 0
21 mol 210 unq 1 iso 0 dist 9.00343 10.7435 8.87054 7.49477 9.11574 10.1113 numMergedOcc 0
22 mol 210 unq 2 iso 0 dist 6.41444 7.26107 8.87054 4.78349 9.11574 10.1113 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 7.25293 5.30923 7.43301 4.47554 5.79617 3.91276 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 4.67452 6.66401 9.30312 4.74338 8.38773 5.75906 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 9.86916 13.9364 9.30312 13.1198 8.38773 5.75906 numMergedOcc 0
26 mol 223 unq 0 iso 0 dist 6.03408 5.25583 6.64193 11.7563 8.85178 10.5752 numMergedOcc 0
27 mol 223 unq 1 iso 0 dist 6.03408 5.25583 6.64193 8.87398 9.73123 3.86668 numMergedOcc 0
28 mol 223 unq 2 iso 0 dist 7.80764 10.5593 6.64193 8.1388 8.85178 10.5752 numMergedOcc 0
29 mol 223 unq 3 iso 0 dist 7.80764 10.5593 6.64193 14.288 9.73123 3.86668 numMergedOcc 0
30 mol 223 unq 4 iso 0 dist 5.75896 5.64061 8.12403 8.1388 5.50267 6.14747 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 8.13696 6.83989 9.56846 7.37194 7.4261 12.9257 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.58277 14.2081 9.45876 12.6355 9.97206 5.4414 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 8.42706 16.3962 9.45876 16.8963 9.97206 5.4414 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 8.12204 5.46666 9.45876 5.85295 9.97206 5.4414 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.23539 5.41599 5.92532 5.38166 8.18813 6.64795 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 8.78203 14.4524 8.16582 4.91802 5.8845 9.85432 numMergedOcc 0
37 mol 279 unq 1 iso 0 dist 9.98985 10.2995 6.12347 7.38256 5.60922 3.70525 numMergedOcc 0
38 mol 279 unq 2 iso 0 dist 9.98985 5.10287 8.79637 7.38256 5.60922 5.61412 numMergedOcc 0
39 mol 283 unq 0 iso 0 dist 9.84011 5.18949 6.72935 7.42894 4.86946 3.97454 numMergedOcc 0
