0 mol 27 unq 0 iso 0 dist 7.57797 6.75307 5.60515 12.0526 9.75252 14.6217 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.57797 6.75307 5.60515 7.34574 5.27118 9.29273 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.57797 7.24775 12.5987 12.0526 9.75252 16.9707 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 7.57797 7.24775 12.5987 7.34574 5.27118 12.0809 numMergedOcc 0
4 mol 27 unq 4 iso 0 dist 6.94532 6.75307 5.84177 7.34574 8.16102 9.29273 numMergedOcc 0
5 mol 27 unq 5 iso 0 dist 6.94532 7.24775 6.25033 7.34574 8.16102 12.0809 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.50287 5.0478 7.67964 8.69776 9.12204 5.27979 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 6.83169 6.07433 11.4378 7.20975 6.72584 8.99451 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 6.83169 6.07433 11.4378 11.1065 7.25594 14.5056 numMergedOcc 0
9 mol 83 unq 2 iso 0 dist 8.92911 7.01146 11.4378 7.44689 6.72584 8.99451 numMergedOcc 0
10 mol 83 unq 3 iso 0 dist 8.92911 7.01146 11.4378 11.1318 7.25594 14.5056 numMergedOcc 0
11 mol 83 unq 4 iso 0 dist 7.8627 9.42195 7.7133 11.0783 6.72584 13.9767 numMergedOcc 0
12 mol 83 unq 5 iso 0 dist 7.8627 9.42195 7.7133 6.48431 7.25594 13.0007 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 5.09936 6.87901 9.41836 5.99213 7.85115 5.51053 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 4.31989 9.62783 8.10288 7.81193 8.72521 14.803 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 4.31989 9.62783 8.10288 6.26235 8.19373 10.6831 numMergedOcc 0
16 mol 153 unq 0 iso 0 dist 6.81821 6.36853 7.49598 9.7864 5.17415 10.5669 numMergedOcc 0
17 mol 153 unq 1 iso 0 dist 6.81821 6.36853 7.49598 9.70774 8.379 12.8057 numMergedOcc 0
18 mol 153 unq 2 iso 0 dist 6.81821 5.87327 7.74047 9.7864 5.17415 12.5636 numMergedOcc 0
19 mol 153 unq 3 iso 0 dist 6.81821 5.87327 7.74047 9.70774 8.379 14.3389 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 5.78397 7.93807 10.2539 15.1021 9.5648 18.0601 numMergedOcc 0
21 mol 167 unq 1 iso 0 dist 5.36359 7.93807 10.4145 4.0116 7.33483 10.1387 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 8.17498 8.53661 6.76786 7.73082 6.19516 10.8782 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 9.87896 9.68308 5.74889 11.6107 6.32658 8.76518 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.39418 8.82948 12.4113 4.73745 6.17759 12.8445 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 7.39418 8.82948 12.4113 4.16431 8.20391 12.7018 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.39418 8.82948 12.4113 4.73745 6.17759 12.8445 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 7.39418 8.82948 12.4113 4.16431 8.20391 12.7018 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.39418 8.82948 12.4113 4.73745 6.17759 12.8445 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 7.39418 8.82948 12.4113 4.16431 8.20391 12.7018 numMergedOcc 0
