0 mol 55 unq 0 iso 0 dist 9.39738 6.66861 5.99401 5.41839 9.9421 6.72084 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 9.9421 6.72084 5.99401 5.41839 9.39738 6.66861 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.88704 5.91009 5.97632 8.83339 6.55352 10.3802 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.88704 5.91009 5.97632 15.8521 9.05437 14.0537 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 7.88704 5.91009 5.97632 14.6805 9.00625 11.4019 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.28161 6.37888 4.76916 6.46167 4.98783 7.11438 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 4.98783 5.62309 5.60494 6.46167 7.28161 9.95946 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 4.98783 7.11438 4.76916 6.46167 7.28161 6.37888 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 7.55531 8.41411 10.5027 6.55152 8.18252 10.3592 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.87592 6.66022 5.16645 5.11161 8.37388 11.2341 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.51507 7.6005 7.11876 4.61575 8.22285 8.7583 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 8.22285 8.7583 7.11876 4.61575 8.51507 7.6005 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.99964 5.97968 7.23046 6.3591 6.93144 8.50382 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.99964 5.97968 7.23046 10.1046 7.04782 10.547 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 6.93144 8.50382 7.23046 6.3591 9.99964 5.97968 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 6.93144 8.50382 7.23046 4.53746 7.04782 10.547 numMergedOcc 0
16 mol 181 unq 4 iso 0 dist 7.04782 9.07527 14.9846 4.53746 6.93144 11.4526 numMergedOcc 0
17 mol 181 unq 5 iso 0 dist 7.04782 9.07527 14.9846 10.1046 9.99964 13.8698 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 4.86882 8.13947 5.65165 3.98055 6.9612 11.6067 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 8.19381 5.79898 11.4169 11.9396 9.16789 14.1721 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 6.23198 5.68717 6.93843 5.43735 8.82216 10.4213 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 5.75335 6.38341 5.63899 8.25517 9.83374 13.6013 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 5.75335 9.78826 7.46111 8.25517 9.83374 10.6229 numMergedOcc 0
23 mol 273 unq 2 iso 0 dist 8.76527 6.38341 11.3048 8.25517 5.97798 13.6013 numMergedOcc 0
24 mol 273 unq 3 iso 0 dist 8.76527 6.38341 11.3048 7.98105 9.40631 14.2073 numMergedOcc 0
25 mol 273 unq 4 iso 0 dist 8.76527 9.78826 5.60451 8.25517 5.97798 10.6229 numMergedOcc 0
26 mol 273 unq 5 iso 0 dist 8.76527 9.78826 5.60451 7.98105 9.40631 13.5176 numMergedOcc 0
