0 mol 20 unq 0 iso 0 dist 9.81561 9.37411 8.92942 9.00405 9.38691 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.88078 9.37411 11.253 9.00405 8.65986 7.47395 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.53599 9.37411 12.4229 9.00405 9.74724 7.47395 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.12382 8.36009 6.22202 12.1601 9.0017 8.26091 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 7.20322 7.09988 3.35244 7.96442 11.4468 8.88124 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 7.20322 7.09988 3.35244 14.3565 10.2668 8.19484 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.76075 9.83758 12.2767 11.2375 13.9368 4.91212 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 9.76075 9.83758 12.2767 6.87591 7.24101 9.34782 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 6.21509 8.0889 3.47821 8.14689 9.43682 7.84207 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 6.21509 8.0889 3.47821 5.74365 8.0564 8.56947 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.58855 7.07933 8.64393 12.9917 13.5154 6.96715 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 6.09565 8.42431 10.3983 11.9686 12.2577 6.80296 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 8.10339 7.57834 7.5396 12.6878 15.8849 9.20109 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 8.81893 8.26189 10.1133 12.399 15.8849 7.85841 numMergedOcc 0
14 mol 254 unq 2 iso 0 dist 8.81893 5.75348 7.5396 12.399 15.8849 9.20109 numMergedOcc 0
15 mol 254 unq 3 iso 0 dist 8.59635 7.57834 5.90756 12.6878 9.7726 9.20109 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 6.57555 5.33881 5.99357 12.1108 14.5673 8.62655 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 9.85095 7.96613 16.1366 6.80038 12.1378 7.8598 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 9.85095 7.96613 16.1366 4.5731 9.59177 7.80711 numMergedOcc 0
19 mol 266 unq 2 iso 0 dist 8.25191 7.96613 9.94662 6.80038 13.7107 7.8598 numMergedOcc 0
20 mol 266 unq 3 iso 0 dist 8.25191 7.96613 9.94662 4.5731 11.321 7.80711 numMergedOcc 0
21 mol 266 unq 4 iso 0 dist 7.35056 7.96613 10.4118 6.80038 13.6454 7.8598 numMergedOcc 0
22 mol 266 unq 5 iso 0 dist 7.35056 7.96613 10.4118 4.5731 11.4804 7.80711 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 7.12198 5.80835 3.98487 9.50643 9.65095 8.07775 numMergedOcc 0
