0 mol 7 unq 0 iso 0 dist 8.14952 9.02869 8.4061 15.4291 8.77648 9.28571 14.326 16.2804 8.05125 15.7038 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.14952 9.02869 8.4061 14.326 16.2804 8.05125 15.4291 8.77648 9.28571 15.7038 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 7.59945 10.9115 5.45684 13.3239 14.6782 7.76644 5.8441 numMergedOcc 0
3 mol 64 unq 0 iso 1 dist 7.8986 8.52643 7.05519 13.3239 14.6782 7.76644 7.59945 10.9115 5.45684 5.8441 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 7.8986 9.75299 8.49962 7.59945 10.9115 7.66372 13.3239 14.6782 9.99743 5.8441 numMergedOcc 0
5 mol 64 unq 1 iso 1 dist 7.8986 9.75299 8.49962 13.3239 14.6782 9.99743 7.59945 10.9115 7.66372 5.8441 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 7.24183 5.41357 7.05519 5.65551 10.9115 5.45684 9.81422 14.6782 7.76644 5.8441 numMergedOcc 0
7 mol 64 unq 2 iso 1 dist 7.24183 5.41357 7.05519 9.81422 14.6782 7.76644 5.65551 10.9115 5.45684 5.8441 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 7.24183 9.30042 8.49962 5.65551 10.9115 7.66372 9.81422 14.6782 9.99743 5.8441 numMergedOcc 0
9 mol 64 unq 3 iso 1 dist 7.24183 9.30042 8.49962 9.81422 14.6782 9.99743 5.65551 10.9115 7.66372 5.8441 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 10.345 10.4593 6.85356 14.1204 7.21285 7.32265 12.3241 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 10.345 10.4593 6.85356 12.3241 numMergedOcc 0
12 mol 99 unq 0 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 12.2155 11.1962 8.07233 4.8794 numMergedOcc 0
13 mol 99 unq 0 iso 1 dist 6.81741 8.68674 4.74328 12.2155 11.1962 8.07233 8.61334 8.23566 4.82346 4.8794 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 15.6097 14.1149 8.15734 5.57607 7.94564 6.00896 10.0801 numMergedOcc 0
15 mol 134 unq 0 iso 1 dist 7.85526 9.88178 6.01484 5.57607 7.94564 6.00896 15.6097 14.1149 8.15734 10.0801 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 5.33543 9.88178 10.6104 15.6097 18.1155 8.15734 5.57607 9.21999 6.00896 10.0801 numMergedOcc 0
17 mol 134 unq 1 iso 1 dist 5.33543 9.88178 10.6104 5.57607 9.21999 6.00896 15.6097 18.1155 8.15734 10.0801 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 8.59214 14.4576 7.08934 7.46189 15.2359 9.43135 6.25764 numMergedOcc 0
19 mol 162 unq 0 iso 1 dist 8.954 6.59407 7.84996 7.46189 15.2359 9.43135 8.59214 14.4576 7.08934 6.25764 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 6.41444 8.05949 7.48216 11.5037 12.9027 8.50367 15.7959 16.0853 8.94889 8.21472 numMergedOcc 0
21 mol 210 unq 0 iso 1 dist 6.41444 8.05949 7.48216 15.7959 16.0853 8.94889 11.5037 12.9027 8.50367 8.21472 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.57712 8.6368 13.4455 7.36665 10.181 9.984 8.17619 15.6379 8.08702 10.3111 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 7.57712 8.6368 13.4455 8.17619 15.6379 8.08702 7.36665 10.181 9.984 10.3111 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 7.20255 8.6368 8.70221 7.36665 9.74776 9.984 8.17619 13.5453 8.08702 10.3111 numMergedOcc 0
25 mol 220 unq 1 iso 1 dist 7.20255 8.6368 8.70221 8.17619 13.5453 8.08702 7.36665 9.74776 9.984 10.3111 numMergedOcc 0
26 mol 223 unq 0 iso 0 dist 9.29204 8.87456 8.36102 4.68566 9.86372 7.76053 11.1044 15.8519 9.65728 7.55127 numMergedOcc 0
27 mol 223 unq 0 iso 1 dist 9.29204 8.87456 8.36102 11.1044 15.8519 9.65728 4.68566 9.86372 7.76053 7.55127 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 9.14789 8.87456 5.43913 4.68566 7.70946 7.76053 11.1044 12.2562 9.65728 7.55127 numMergedOcc 0
29 mol 223 unq 1 iso 1 dist 9.14789 8.87456 5.43913 11.1044 12.2562 9.65728 4.68566 7.70946 7.76053 7.55127 numMergedOcc 0
30 mol 223 unq 2 iso 0 dist 7.80764 8.87456 13.9763 4.68566 11.3699 7.76053 11.1044 14.6013 9.65728 7.55127 numMergedOcc 0
31 mol 223 unq 2 iso 1 dist 7.80764 8.87456 13.9763 11.1044 14.6013 9.65728 4.68566 11.3699 7.76053 7.55127 numMergedOcc 0
32 mol 223 unq 3 iso 0 dist 5.75896 8.87456 13.8469 4.68566 10.1945 7.76053 11.1044 16.5446 9.65728 7.55127 numMergedOcc 0
33 mol 223 unq 3 iso 1 dist 5.75896 8.87456 13.8469 11.1044 16.5446 9.65728 4.68566 10.1945 7.76053 7.55127 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 13.3781 18.3166 7.449 14.2324 18.9073 8.98789 5.02232 numMergedOcc 0
35 mol 239 unq 0 iso 1 dist 6.00654 9.01071 12.178 14.2324 18.9073 8.98789 13.3781 18.3166 7.449 5.02232 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 9.70222 4.85199 10.6318 5.03102 11.7325 9.38192 6.40309 13.5235 6.99444 10.4134 numMergedOcc 0
37 mol 261 unq 0 iso 1 dist 9.70222 4.85199 10.6318 6.40309 13.5235 6.99444 5.03102 11.7325 9.38192 10.4134 numMergedOcc 0
38 mol 261 unq 1 iso 0 dist 9.71882 9.13604 10.6318 9.37836 11.7325 9.38192 5.91745 13.5235 6.99444 10.4134 numMergedOcc 0
39 mol 261 unq 1 iso 1 dist 9.71882 9.13604 10.6318 5.91745 13.5235 6.99444 9.37836 11.7325 9.38192 10.4134 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.6005 15.8403 8.56533 6.60063 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 14.0575 16.044 8.5458 6.60063 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.6005 15.8403 8.56533 6.60063 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 14.0575 16.044 8.5458 6.60063 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 8.0935 7.14859 8.13485 14.0575 16.044 8.5458 10.6005 15.8403 8.56533 6.60063 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 8.0935 7.14859 8.13485 10.6005 15.8403 8.56533 14.0575 16.044 8.5458 6.60063 numMergedOcc 0
