0 mol 55 unq 0 iso 0 dist 5.24742 9.24055 5.25318 9.57876 8.0329 11.3138 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 5.24742 9.24055 5.25318 9.00393 9.99417 13.2706 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 9.29433 9.66898 5.25318 15.5369 8.0329 11.3138 numMergedOcc 0
3 mol 55 unq 3 iso 0 dist 9.29433 9.66898 5.25318 14.6227 9.99417 13.2706 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 11.5903 7.7933 12.4521 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 5.41357 9.30042 4.78627 6.10515 7.7933 12.4521 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 9.90256 5.63748 10.445 7.62644 9.53368 11.0056 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 9.90256 5.63748 10.445 10.8096 6.54532 14.1892 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.61973 6.53824 4.48374 10.3223 9.49798 12.0097 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 6.61973 6.53824 4.48374 12.8624 8.31955 11.7331 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 9.67726 7.77669 4.18932 7.81164 9.12189 5.8277 numMergedOcc 0
11 mol 140 unq 1 iso 0 dist 7.77669 9.67726 4.18932 7.81164 5.8277 9.12189 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 6.86212 9.54337 9.76045 3.90437 9.23757 13.2438 numMergedOcc 0
13 mol 159 unq 1 iso 0 dist 6.86212 9.9368 4.82545 3.90437 9.23757 10.6376 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.40718 8.92801 12.0946 10.602 9.23089 13.8176 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 8.97652 8.29364 5.77399 13.7069 8.55287 14.0629 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.72718 8.72949 10.4327 9.77203 7.46024 16.278 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 6.20044 8.41232 6.2357 5.64245 6.35305 9.23348 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 8.41232 6.20044 6.2357 5.64245 9.23348 6.35305 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 9.93861 7.49889 12.2683 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 7.31608 7.96226 5.19836 7.09867 9.89345 10.811 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.86185 9.01071 15.9311 7.57139 6.98781 15.8015 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 4.64178 8.78924 4.56434 10.8902 8.75924 8.62303 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 9.16988 7.70472 4.56434 5.83664 8.75924 8.62303 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 5.53369 9.48772 9.10334 4.92263 9.31129 13.6065 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 5.53369 8.57274 6.94631 4.92263 9.31129 9.77741 numMergedOcc 0
26 mol 258 unq 2 iso 0 dist 8.57274 9.48772 10.4538 4.92263 9.77741 13.6065 numMergedOcc 0
27 mol 258 unq 3 iso 0 dist 8.57274 5.53369 6.94631 4.92263 9.77741 9.31129 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 9.62494 9.0836 5.40028 12.9391 9.85022 12.6987 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 6.57444 7.9555 5.77131 5.53503 9.35019 9.80699 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 9.98886 5.00258 10.6828 10.1569 5.98155 11.0142 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 6.81887 8.22117 10.6828 4.54514 5.98155 11.0142 numMergedOcc 0
