0 mol 14 unq 0 iso 0 dist 6.11408 8.39619 7.04966 11.9982 9.55728 8.73627 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 6.11408 8.39619 7.04966 10.2794 5.68897 8.69369 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.72716 6.27103 8.30431 11.3084 6.32949 9.62468 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.72716 6.86236 4.628 11.3084 6.32949 5.92705 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.0009 4.39847 7.8986 10.6806 9.48441 6.6003 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.0009 4.39847 7.8986 8.93949 4.76091 6.44118 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 8.91298 4.39847 7.24183 10.6806 6.41829 6.6003 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 8.91298 4.39847 7.24183 8.93949 6.13923 6.44118 numMergedOcc 0
8 mol 66 unq 0 iso 0 dist 7.1612 6.03391 6.85819 8.04639 6.43842 9.37957 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.52282 11.2351 6.60356 13.2537 9.96864 6.78459 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 6.37194 6.57608 5.43401 13.3856 7.49575 9.10229 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.66196 5.6579 5.31281 11.941 7.65733 7.25166 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 5.66196 5.6579 5.31281 5.87387 5.24877 8.42445 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 7.80819 4.30864 7.25133 9.2806 4.57807 7.11388 numMergedOcc 0
14 mol 126 unq 1 iso 0 dist 7.80819 4.30864 7.25133 11.0973 13.2652 8.83131 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 7.14447 12.8539 8.15549 16.8209 10.469 7.70349 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.89671 9.76471 7.96689 14.2709 11.9436 9.48243 numMergedOcc 0
17 mol 211 unq 0 iso 0 dist 5.02094 9.43858 9.8921 9.82765 11.3877 8.63308 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 5.12798 7.70847 9.81136 15.3479 17.404 8.49704 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 7.66083 12.5945 7.57712 11.1395 6.19375 7.31105 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 7.6174 8.00807 7.20862 14.4258 10.5706 9.5723 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.09371 9.22288 5.2851 13.9885 5.14019 9.18675 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.73735 5.48962 8.73077 11.0327 13.6207 6.77279 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.73735 5.48962 8.73077 11.9307 16.6797 9.58006 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 6.6238 5.48962 6.76656 11.0327 10.908 6.77279 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 6.6238 5.48962 6.76656 11.9307 12.7595 9.58006 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 9.49732 12.8835 4.55368 9.47382 6.18571 7.93997 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 8.821 5.9309 7.53773 7.92491 4.69801 9.53225 numMergedOcc 0
