0 mol 41 unq 0 iso 0 dist 8.6783 13.653 8.19484 14.0959 9.90656 7.56029 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 8.54119 5.60142 5.9644 12.2226 8.17555 7.4515 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 9.04935 10.6431 5.69384 9.9818 6.35003 8.04168 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 9.04935 10.6431 5.69384 10.3191 3.45432 5.70907 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.52947 11.8293 8.42713 12.2152 3.91263 7.8435 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.52947 11.8293 8.42713 10.9933 5.59024 5.99269 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.52947 11.8293 8.42713 12.8106 12.9872 5.71763 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.84466 3.74136 8.42713 9.43355 3.91263 7.8435 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 8.84466 3.74136 8.42713 5.64141 5.59024 5.99269 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 8.84466 3.74136 8.42713 5.46186 12.9872 5.71763 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 9.2948 3.74136 8.21032 9.43355 15.8131 7.8435 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 9.2948 3.74136 8.21032 5.64141 13.6266 5.99269 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 9.2948 3.74136 8.21032 5.46186 5.17052 5.71763 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 8.98367 10.8853 6.17362 13.7769 6.84628 9.12084 numMergedOcc 0
14 mol 128 unq 1 iso 0 dist 9.35162 11.0542 6.4416 17.1414 8.84157 9.12084 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 8.87505 14.0139 7.39532 17.5327 9.25976 6.5739 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 8.87505 4.91324 6.62468 13.0221 8.17131 8.24966 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 5.70772 5.78019 6.4752 8.73613 11.5768 9.43989 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 5.03663 4.52246 6.4752 11.9772 11.5768 9.43989 numMergedOcc 0
19 mol 147 unq 2 iso 0 dist 8.93916 5.88056 6.4752 15.2832 11.5768 9.43989 numMergedOcc 0
20 mol 159 unq 0 iso 0 dist 9.04205 6.02267 9.90625 9.31829 6.30259 6.07821 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 9.99743 9.37181 5.36078 13.7584 3.83661 7.17037 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 4.85577 6.14396 9.93045 11.3685 11.8169 8.31881 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.44772 11.1985 9.93045 17.6378 11.8169 8.31881 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 4.43243 10.968 8.38439 10.7437 7.9415 9.14068 numMergedOcc 0
25 mol 270 unq 0 iso 0 dist 6.55866 10.3057 8.05859 16.3146 12.8011 7.39185 numMergedOcc 0
26 mol 270 unq 1 iso 0 dist 6.55866 10.3057 8.05859 17.2552 12.2628 8.20158 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 5.49794 4.81143 5.63154 5.35326 3.77031 5.8304 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 5.49794 4.81143 5.63154 11.2154 9.11782 7.37478 numMergedOcc 0
