0 mol 52 unq 0 iso 0 dist 8.38301 14.1831 9.89706 13.98 11.107 9.80143 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.99156 10.38 9.53327 11.5853 6.28525 7.62738 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.23435 13.3681 9.71873 10.3356 5.9876 7.62738 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 7.21285 14.9324 9.53327 8.0534 6.28525 7.62738 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 7.58484 5.83671 8.06774 7.61275 3.73122 6.12967 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.38035 4.36082 9.37051 9.76189 9.0525 6.03352 numMergedOcc 0
6 mol 135 unq 0 iso 0 dist 7.54797 10.6553 9.03598 16.1858 10.7535 7.62606 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 8.51265 13.1683 7.35385 16.3453 12.6656 6.73983 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 8.51265 13.1683 7.35385 20.0284 14.7644 8.6387 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 8.51265 9.00056 8.35864 16.3453 12.6656 7.64956 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 7.99446 5.8155 9.62138 7.27943 10.149 5.06613 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 7.21636 5.8155 5.11444 7.27943 5.77969 5.06613 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 7.2067 6.22904 6.53696 10.4239 10.9098 5.60528 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 7.2067 6.22904 6.53696 9.47843 5.31207 5.5995 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 9.16852 12.1335 8.95886 16.2465 7.98055 8.43187 numMergedOcc 0
15 mol 193 unq 1 iso 0 dist 8.6538 13.8215 8.95886 15.3491 7.98055 8.43187 numMergedOcc 0
16 mol 193 unq 2 iso 0 dist 5.19654 10.7013 8.95886 7.46207 7.98055 8.43187 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 7.33708 5.65837 6.67239 11.6269 8.14788 7.38566 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 7.33708 4.82887 6.23146 11.6269 8.14788 8.28466 numMergedOcc 0
19 mol 232 unq 2 iso 0 dist 4.46314 10.7624 6.67239 11.3051 8.14788 7.38566 numMergedOcc 0
20 mol 232 unq 3 iso 0 dist 4.46314 8.15893 6.23146 11.3051 8.14788 8.28466 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.8978 6.2709 5.68253 9.2457 4.7189 6.00582 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.35766 10.5693 9.6479 11.799 12.0513 8.15091 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 8.11884 12.3321 7.40057 16.5225 13.0191 8.89892 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 8.19772 11.7401 7.49913 18.5806 11.5556 8.85062 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.17922 4.48276 8.30714 12.2654 12.5565 7.79704 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 8.17922 4.48276 8.30714 12.7557 16.5768 9.39276 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 8.16746 6.84952 9.02661 14.336 16.9837 8.2997 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.42812 13.008 5.92532 11.6144 8.7465 7.85414 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 7.98871 6.72611 9.55366 10.5514 7.23731 8.81717 numMergedOcc 0
