0 mol 2 unq 0 iso 0 dist 6.52386 14.1164 9.74371 15.1719 9.53758 14.7531 12.506 6.35342 9.97525 5.7104 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.57437 10.0257 9.67498 13.63 8.85869 10.2939 17.7278 9.85726 15.0231 14.1047 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.57437 9.33944 9.32945 13.63 8.85869 15.279 17.7278 9.85726 17.302 14.1047 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.82315 9.53688 4.628 5.78708 6.85094 4.71793 7.49081 5.92705 6.32949 7.15161 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 9.67403 8.24748 8.30431 16.6923 9.94756 16.966 4.90701 9.62468 6.32949 18.7183 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 7.28917 14.4616 8.30431 4.16192 9.94756 16.966 16.7918 9.62468 6.32949 18.7183 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.58346 7.53682 5.39171 12.2435 7.84699 6.13631 4.69583 6.89722 10.5627 13.4367 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.58346 7.53682 5.39171 10.362 7.53504 12.6081 4.69583 6.89722 10.5627 9.64124 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.10386 7.53682 9.27355 12.2435 8.40844 6.13631 15.7901 9.68526 10.8067 5.33851 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.10386 7.53682 9.27355 12.2435 8.40844 6.13631 4.69583 7.26679 10.5627 13.4367 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 9.10386 7.53682 9.27355 12.2435 8.40844 6.13631 15.8603 9.30776 17.4113 15.7164 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.10386 7.53682 9.27355 14.2654 7.02351 16.1129 15.7901 9.68526 10.8067 13.6586 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 9.10386 7.53682 9.27355 14.2654 7.02351 16.1129 4.69583 7.26679 10.5627 10.3774 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 9.10386 7.53682 9.27355 14.2654 7.02351 16.1129 15.8603 9.30776 17.4113 4.15333 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 9.10386 7.53682 9.27355 10.362 8.66342 12.6081 15.7901 9.68526 10.8067 16.8585 numMergedOcc 0
15 mol 73 unq 9 iso 0 dist 9.10386 7.53682 9.27355 10.362 8.66342 12.6081 4.69583 7.26679 10.5627 9.64124 numMergedOcc 0
16 mol 73 unq 10 iso 0 dist 9.10386 7.53682 9.27355 10.362 8.66342 12.6081 15.8603 9.30776 17.4113 16.0481 numMergedOcc 0
17 mol 73 unq 11 iso 0 dist 9.66744 14.7261 5.39171 16.9811 7.84699 6.13631 8.59095 6.89722 10.5627 13.4367 numMergedOcc 0
18 mol 73 unq 12 iso 0 dist 9.66744 14.7261 5.39171 4.5646 7.53504 12.6081 8.59095 6.89722 10.5627 9.64124 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 4.96259 5.53632 8.78709 6.6215 5.77393 11.6119 4.11061 6.00053 9.49952 5.32859 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 9.92635 13.34 6.21267 15.7519 9.81282 13.2623 10.0008 7.31181 11.4393 6.00494 numMergedOcc 0
21 mol 183 unq 1 iso 0 dist 9.92635 13.9426 7.41743 15.7519 9.81282 7.22697 10.0008 7.31181 6.81609 6.00494 numMergedOcc 0
22 mol 183 unq 2 iso 0 dist 7.85507 9.98606 6.21267 15.2905 9.81282 13.2623 9.95614 7.31181 11.4393 6.00494 numMergedOcc 0
23 mol 183 unq 3 iso 0 dist 7.85507 11.9935 7.41743 15.2905 9.81282 7.22697 9.95614 7.31181 6.81609 6.00494 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.32657 6.78359 9.89311 14.0402 8.21112 13.8587 10.7813 7.07183 14.1114 7.42296 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 9.32657 6.78359 9.89311 11.0093 7.06533 9.6353 10.7813 7.07183 14.1114 8.60418 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 9.32657 6.78359 9.89311 7.30488 5.94835 11.7852 10.7813 7.07183 14.1114 5.30941 numMergedOcc 0
27 mol 211 unq 0 iso 0 dist 7.38723 12.6613 9.8921 5.45968 7.15386 15.2751 3.99353 8.63308 11.3877 7.03173 numMergedOcc 0
28 mol 211 unq 1 iso 0 dist 7.38723 12.6613 9.8921 9.04294 7.73993 17.5039 3.99353 8.63308 11.3877 11.6621 numMergedOcc 0
29 mol 211 unq 2 iso 0 dist 7.38723 12.6613 9.8921 9.3095 9.45365 16.4954 3.99353 8.63308 11.3877 8.91121 numMergedOcc 0
30 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 12.8829 9.05082 15.6116 5.47434 9.5723 10.5706 10.78 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 7.8775 9.16791 5.94835 6.64729 6.77279 13.6207 12.4673 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 5.98006 7.78289 8.73077 7.8775 9.16791 5.94835 9.79538 9.58006 16.6797 16.6792 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 5.98006 5.73217 6.76656 7.8775 9.16791 9.43627 6.64729 6.77279 10.908 12.4673 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 5.98006 5.73217 6.76656 7.8775 9.16791 9.43627 9.79538 9.58006 12.7595 16.6792 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 7.62562 10.4456 6.12202 7.60168 7.59956 5.64335 6.96875 7.79904 5.7574 4.89399 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 7.62562 10.4456 6.12202 7.60168 7.59956 5.64335 15.8929 9.02749 7.23876 11.3084 numMergedOcc 0
37 mol 274 unq 2 iso 0 dist 7.62562 10.4456 6.12202 4.77555 8.05503 13.0534 6.96875 7.79904 5.7574 10.9974 numMergedOcc 0
38 mol 274 unq 3 iso 0 dist 7.62562 10.4456 6.12202 4.77555 8.05503 13.0534 15.8929 9.02749 7.23876 16.897 numMergedOcc 0
39 mol 274 unq 4 iso 0 dist 7.62562 10.4456 6.12202 6.30262 5.59151 9.24343 6.96875 7.79904 5.7574 7.60191 numMergedOcc 0
40 mol 274 unq 5 iso 0 dist 7.62562 10.4456 6.12202 6.30262 5.59151 9.24343 15.8929 9.02749 7.23876 13.8866 numMergedOcc 0
