0 mol 20 unq 0 iso 0 dist 9.62492 9.37411 3.63394 9.00405 10.1439 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.67226 9.37411 5.17224 9.00405 7.17695 7.47395 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.073 7.51631 10.0937 8.24064 14.5952 7.7485 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.22411 5.58102 12.2805 4.77009 12.8973 6.5816 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.17173 5.58102 3.78499 4.77009 8.73928 6.5816 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 7.92498 6.61697 7.1034 5.70681 11.0815 5.31126 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 7.92498 6.61697 7.1034 5.08157 11.8871 7.16619 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 5.32517 7.12662 8.30851 9.10228 13.5063 7.76123 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 5.32517 9.38 12.0704 9.10228 13.5063 6.08651 numMergedOcc 0
9 mol 128 unq 2 iso 0 dist 7.6275 7.12662 8.39591 9.10228 14.7328 7.76123 numMergedOcc 0
10 mol 128 unq 3 iso 0 dist 7.6275 9.38 11.7516 9.10228 14.7328 6.08651 numMergedOcc 0
11 mol 128 unq 4 iso 0 dist 7.4738 7.12662 3.81254 9.10228 5.38983 7.76123 numMergedOcc 0
12 mol 128 unq 5 iso 0 dist 7.4738 9.38 6.13996 9.10228 5.38983 6.08651 numMergedOcc 0
13 mol 128 unq 6 iso 0 dist 8.88867 7.12662 7.67031 9.10228 8.46801 7.76123 numMergedOcc 0
14 mol 128 unq 7 iso 0 dist 8.88867 9.38 4.62046 9.10228 8.46801 6.08651 numMergedOcc 0
15 mol 128 unq 8 iso 0 dist 7.04282 7.12662 4.79627 9.10228 9.1479 7.76123 numMergedOcc 0
16 mol 128 unq 9 iso 0 dist 7.04282 9.38 4.769 9.10228 9.1479 6.08651 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.47476 5.96324 12.4943 6.34139 13.0107 5.60448 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.74947 5.96324 5.51254 6.34139 6.41183 5.60448 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 8.11268 6.85177 7.16323 5.73931 10.9108 5.10589 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 8.11268 8.88729 11.9514 5.73931 10.9108 4.63336 numMergedOcc 0
21 mol 169 unq 2 iso 0 dist 9.19569 7.07933 5.74428 12.9917 9.58901 6.96715 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 9.19343 8.47283 4.71133 10.816 10.0199 9.93489 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 9.19343 8.47283 4.71133 4.27546 9.90861 7.64057 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 7.46 8.90109 3.43711 8.71923 7.88108 7.04263 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 6.71406 8.90109 7.63469 8.71923 12.0301 7.04263 numMergedOcc 0
26 mol 260 unq 2 iso 0 dist 7.90537 5.33881 9.04755 12.1108 17.4567 8.62655 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 5.77107 5.93983 5.00843 8.32005 10.1649 5.88958 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 5.77107 5.93983 5.00843 7.07384 11.3128 7.78121 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.35178 8.27196 9.94473 4.69872 9.40443 6.24487 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.35178 8.27196 9.94473 4.69872 9.40443 6.24487 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.35178 8.27196 9.94473 4.69872 9.40443 6.24487 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 7.60019 8.06614 5.33412 7.34358 9.01115 8.07775 numMergedOcc 0
