0 mol 20 unq 0 iso 0 dist 9.37411 9.00405 7.47395 9.81561 8.92942 9.38691 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.37411 9.00405 7.47395 9.88078 11.253 8.65986 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.37411 9.00405 7.47395 7.53599 12.4229 9.74724 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 8.36009 12.1601 8.26091 6.12382 6.22202 9.0017 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 9.6595 6.2086 4.78873 10.7244 6.33349 8.45145 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.33405 9.36667 9.13228 15.6824 9.7326 9.58748 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.83758 6.87591 9.34782 9.76075 12.2767 7.24101 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.36631 5.86518 5.31126 10.1303 4.62493 8.46167 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 6.36631 4.8668 4.49669 10.1303 4.62493 6.13175 numMergedOcc 0
9 mol 113 unq 2 iso 0 dist 6.36631 8.60367 6.00221 10.1303 4.62493 4.34107 numMergedOcc 0
10 mol 113 unq 3 iso 0 dist 6.24308 5.86518 7.16619 10.1303 6.47997 8.46167 numMergedOcc 0
11 mol 113 unq 4 iso 0 dist 6.24308 4.8668 5.88896 10.1303 6.47997 6.13175 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 8.0889 8.14689 7.84207 6.21509 3.47821 9.43682 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 8.0889 5.74365 8.56947 6.21509 3.47821 8.0564 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 5.96324 6.34139 5.60448 10.4394 8.99049 7.70581 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 8.42431 11.9686 6.80296 18.1456 9.90756 9.24832 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 8.80049 13.8734 7.85841 13.6324 5.14008 5.44351 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 8.80049 15.5851 9.20109 13.6324 5.14008 6.34051 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.90109 8.71923 7.04263 15.8563 7.79959 9.68243 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 7.96613 6.80038 7.8598 10.6342 13.7573 8.53393 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 7.96613 4.5731 7.80711 10.6342 13.7573 7.24165 numMergedOcc 0
21 mol 268 unq 0 iso 0 dist 8.24792 7.87564 9.52476 10.6366 6.58875 6.38058 numMergedOcc 0
22 mol 268 unq 1 iso 0 dist 8.24792 7.87564 9.52476 14.539 9.70591 9.5334 numMergedOcc 0
