0 mol 8 unq 0 iso 0 dist 7.45487 7.07501 7.18019 9.29802 9.01112 4.1204 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 10.5945 8.09311 15.4445 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 17.5782 9.05357 11.8971 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.90845 13.0288 8.44664 10.5945 8.09311 3.84336 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.90845 13.0288 8.44664 17.5782 9.05357 7.01276 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.90845 18.8056 9.44691 10.5945 8.09311 13.0295 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.90845 18.8056 9.44691 17.5782 9.05357 4.02219 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 5.38191 5.33825 7.07339 5.60003 7.16132 7.06251 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 5.38191 6.51649 7.23317 5.60003 7.16132 3.81228 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 7.84983 6.64072 5.93884 5.04521 9.22598 5.66912 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 9.56737 6.64072 7.68678 5.04521 8.96727 5.66912 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 9.56737 6.64072 7.68678 10.2341 8.01308 5.76523 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 6.48625 9.97686 8.08618 11.1377 6.56212 5.56986 numMergedOcc 0
13 mol 69 unq 0 iso 0 dist 9.57969 8.91076 9.97775 10.2162 6.9362 5.1678 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 7.29462 4.70778 9.01852 11.975 7.93045 10.2851 numMergedOcc 0
15 mol 108 unq 1 iso 0 dist 7.29462 11.386 9.75958 11.975 7.93045 4.05553 numMergedOcc 0
16 mol 108 unq 2 iso 0 dist 5.4057 6.76634 9.01852 6.84497 7.93045 10.2851 numMergedOcc 0
17 mol 108 unq 3 iso 0 dist 5.4057 6.17742 9.75958 6.84497 7.93045 4.05553 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.49205 6.25204 8.00003 8.22696 8.95212 12.3661 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 9.42766 13.1831 6.52773 16.57 7.64052 5.37917 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 9.42766 6.34278 9.23858 16.57 7.64052 15.7711 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 8.33083 10.4589 8.88537 12.2162 6.00603 6.29388 numMergedOcc 0
22 mol 122 unq 1 iso 0 dist 8.33083 7.09391 9.23819 12.2162 6.00603 9.83972 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 9.00898 10.5222 9.39352 14.8552 9.63417 6.43397 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 8.43584 5.42117 4.8668 14.6356 6.49765 9.86388 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 4.58599 11.5146 8.14332 9.45322 8.22569 6.60887 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 8.78568 10.693 8.14332 6.81831 8.22569 6.60887 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 8.7347 15.9714 9.07471 15.1289 6.74196 4.67663 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 8.7347 15.9714 9.07471 13.6078 8.36842 6.37382 numMergedOcc 0
29 mol 222 unq 2 iso 0 dist 8.7347 15.9714 9.07471 13.6261 9.75472 6.31322 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.31417 16.7165 9.24557 13.338 9.72188 17.1065 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 5.56719 11.9863 9.24557 12.046 9.72188 17.1065 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 7.93997 10.9643 7.08526 7.06301 5.85442 4.47425 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 7.93997 10.9643 7.08526 7.80863 6.95511 4.10176 numMergedOcc 0
