0 mol 17 unq 0 iso 0 dist 8.58468 9.26114 7.34681 5.22923 6.64199 4.2802 16.6039 9.4204 9.26685 12.5103 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.50049 8.14608 5.52834 4.12203 9.39402 10.1829 14.3866 5.21506 8.84148 14.4319 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.99735 13.11 9.53081 3.42062 7.90416 15.1442 14.2052 13.2937 8.36915 16.9082 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.99735 13.11 9.53081 3.42062 7.90416 15.1442 7.77714 5.41488 6.01454 9.77004 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.99735 13.11 9.53081 13.5492 9.74553 4.89976 14.2052 13.2937 8.36915 13.0903 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.99735 13.11 9.53081 13.5492 9.74553 4.89976 7.77714 5.41488 6.01454 8.36323 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 9.7516 4.99432 9.53081 12.971 7.90416 15.1442 10.7326 13.2937 8.36915 16.9082 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 9.7516 4.99432 9.53081 12.971 7.90416 15.1442 6.46118 5.41488 6.01454 9.77004 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 9.7516 4.99432 9.53081 4.70736 9.74553 4.89976 10.7326 13.2937 8.36915 13.0903 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 9.7516 4.99432 9.53081 4.70736 9.74553 4.89976 6.46118 5.41488 6.01454 8.36323 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.63813 8.65163 5.73235 14.0039 9.50939 5.50078 10.5228 5.22567 7.02854 10.0184 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 9.69413 7.89197 9.06641 3.79142 7.01987 4.77556 8.48921 5.12529 6.6146 5.28331 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.61918 13.2228 5.79195 14.4611 8.98028 4.37065 9.71281 5.35551 9.07294 11.2252 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.61918 15.392 9.2759 14.4611 8.98028 15.7191 16.3752 10.8516 5.12189 18.338 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.61918 15.392 9.2759 14.4611 8.98028 15.7191 9.71281 5.35551 7.50126 11.2252 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 6.33118 8.85571 9.96635 4.67886 7.76952 13.4119 10.8909 10.9312 7.07348 14.1102 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 6.33118 8.85571 9.96635 14.6154 9.98554 12.6695 10.8909 10.9312 7.07348 15.9309 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 6.23903 7.14992 8.97652 9.09406 8.69656 14.3669 10.9979 9.01399 7.69421 17.4248 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 8.39603 10.0544 8.97652 9.29513 8.69656 14.3669 13.5932 9.01399 7.69421 17.4248 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 8.27545 4.2039 6.2016 12.6116 7.97601 9.82858 7.74423 5.21255 7.30965 13.0939 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.77267 4.43495 7.58554 9.24382 5.4687 10.9079 10.0379 5.94643 9.59937 11.1939 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 6.64109 10.9011 7.52632 3.42654 6.04835 10.5232 10.1823 3.89234 9.50814 9.47603 numMergedOcc 0
22 mol 265 unq 1 iso 0 dist 8.57593 10.0903 7.52632 5.12694 6.04835 10.5232 12.4387 3.89234 9.50814 9.47603 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 8.65743 5.36882 9.62494 9.23405 9.90506 5.79323 14.0145 18.9489 9.77392 12.7077 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 8.65743 5.36882 9.62494 11.313 8.61077 7.52317 14.0145 18.9489 9.77392 13.6284 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 8.65743 5.36882 9.62494 13.005 9.11585 9.52953 14.0145 18.9489 9.77392 14.9038 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 7.90993 11.8486 6.58925 3.86368 9.39268 14.7035 11.5643 4.37855 6.7897 12.9128 numMergedOcc 0
