0 mol 10 unq 0 iso 0 dist 9.09758 10.1803 9.88507 6.55806 5.59965 11.04 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.1301 9.11059 9.52857 4.38034 5.76024 10.1802 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.1301 9.11059 9.52857 6.06519 7.92714 11.8349 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.1301 9.11059 9.52857 9.69467 8.47217 13.1322 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.94245 9.36663 8.3794 9.867 6.03257 7.49229 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.9297 4.82573 5.33546 12.6241 9.78384 9.40625 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 4.86532 4.4056 7.12701 5.75219 8.66165 5.06999 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 6.58492 5.06458 9.52206 4.41856 8.89417 7.00155 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 6.58492 5.06458 9.52206 5.93923 9.95255 9.45154 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 6.58492 10.0644 8.69945 4.41856 8.89417 14.3423 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 6.58492 10.0644 8.69945 5.93923 9.95255 8.76259 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 7.63783 8.23165 9.52206 4.39585 8.89417 7.00155 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 7.63783 8.23165 9.52206 12.2294 9.95255 9.45154 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 7.63783 15.1013 8.69945 4.39585 8.89417 14.3423 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 7.63783 15.1013 8.69945 12.2294 9.95255 8.76259 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.93424 4.75097 8.81111 12.0582 6.75376 11.3783 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 6.8891 4.75097 5.66405 12.0582 9.10042 11.3783 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 6.8891 4.75097 5.66405 13.5187 9.75059 11.1002 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 6.8891 4.75097 5.66405 10.0354 6.83404 5.63251 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.83185 6.2128 7.08557 13.1684 9.92471 7.314 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.0234 13.88 7.08557 12.116 9.92471 7.314 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 7.57117 11.1214 8.14859 6.61047 8.26288 14.4054 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 7.57117 11.1214 8.14859 4.13141 6.60053 9.72372 numMergedOcc 0
23 mol 192 unq 2 iso 0 dist 9.9312 11.1214 5.62421 4.13141 9.36796 9.72372 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.60978 12.7339 6.80544 12.1252 5.92374 4.04422 numMergedOcc 0
25 mol 247 unq 0 iso 0 dist 8.46644 5.05326 8.54404 7.56352 8.45756 5.07285 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 6.7282 4.34115 9.58168 7.64577 5.9627 9.38829 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 7.36908 3.97238 9.74449 7.49849 4.98734 10.3756 numMergedOcc 0
28 mol 256 unq 1 iso 0 dist 7.36908 3.97238 9.74449 9.92311 6.37963 13.5199 numMergedOcc 0
29 mol 256 unq 2 iso 0 dist 7.36908 3.97238 9.74449 7.27553 8.16803 6.37659 numMergedOcc 0
30 mol 271 unq 0 iso 0 dist 6.70662 4.32077 6.85471 4.91325 5.92274 4.17949 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.7625 10.6345 9.35976 4.44586 8.20644 10.7039 numMergedOcc 0
