0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 8.95357 8.20058 8.45916 4.04757 8.44664 9.98592 11.9824 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.88695 9.63803 8.25132 4.54484 7.51406 12.4917 10.5687 10.177 6.07276 11.7245 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.88974 5.14358 6.54878 5.54786 7.47342 9.81709 6.06435 10.5933 5.22979 10.6249 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 11.1108 8.05602 9.55337 11.9783 11.3043 9.84703 18.9936 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 11.1108 8.05602 9.55337 7.43001 6.65501 4.62494 11.0132 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 7.12319 8.84523 13.0202 4.81814 7.80523 7.56755 10.8869 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 5.63005 9.10803 8.84069 11.5865 8.62648 14.5947 6.49348 9.77873 6.18678 14.4478 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.56696 6.23966 8.46972 4.92611 7.58957 6.34626 5.85167 numMergedOcc 0
8 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 12.1126 9.47932 13.1493 6.48939 8.69988 9.10288 10.6561 numMergedOcc 0
9 mol 212 unq 1 iso 0 dist 5.87223 5.03184 3.9436 12.1126 9.47932 13.1493 5.81626 8.55903 6.19798 15.0782 numMergedOcc 0
10 mol 212 unq 2 iso 0 dist 5.87223 5.03184 3.9436 12.1126 9.47932 13.1493 6.89781 10.6618 7.24895 18.3164 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 4.61429 9.73411 5.31916 4.12728 11.9653 9.25617 7.45491 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 4.61429 9.73411 5.31916 7.13796 14.5387 9.05276 5.77278 numMergedOcc 0
13 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 11.1139 7.07564 11.6723 4.12728 11.9653 9.25617 14.9847 numMergedOcc 0
14 mol 224 unq 3 iso 0 dist 8.39002 6.32334 7.05804 11.1139 7.07564 11.6723 7.13796 14.5387 9.05276 16.861 numMergedOcc 0
15 mol 224 unq 4 iso 0 dist 9.2053 6.32334 4.54188 4.61429 7.75485 5.31916 4.12728 12.9355 9.25617 7.45491 numMergedOcc 0
16 mol 224 unq 5 iso 0 dist 9.2053 6.32334 4.54188 4.61429 7.75485 5.31916 7.13796 12.8311 9.05276 5.77278 numMergedOcc 0
17 mol 224 unq 6 iso 0 dist 9.2053 6.32334 4.54188 11.1139 9.11052 11.6723 4.12728 12.9355 9.25617 14.9847 numMergedOcc 0
18 mol 224 unq 7 iso 0 dist 9.2053 6.32334 4.54188 11.1139 9.11052 11.6723 7.13796 12.8311 9.05276 16.861 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.52894 4.97796 13.0867 9.82234 8.71129 13.5288 6.70266 7.1729 9.65868 4.48276 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.52894 4.97796 13.0867 9.82234 8.71129 13.5288 5.15747 10.6913 8.60027 12.8602 numMergedOcc 0
