0 mol 12 unq 0 iso 0 dist 7.4036 8.41256 9.25493 7.00079 5.76024 5.97178 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.4036 8.41256 9.25493 6.50215 7.92714 10.229 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 7.4036 8.41256 9.25493 12.5814 8.47217 7.00379 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.89222 11.4929 9.27369 10.7484 6.93197 12.8556 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.53735 12.1626 8.99751 12.3478 7.35861 9.62452 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.53735 14.2372 9.30674 12.3478 7.35861 7.40218 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 9.53735 14.8605 8.25567 12.3478 7.35861 3.9882 numMergedOcc 0
7 mol 26 unq 4 iso 0 dist 9.34599 7.53125 8.99751 13.7277 7.35861 9.62452 numMergedOcc 0
8 mol 26 unq 5 iso 0 dist 9.34599 9.31749 9.30674 13.7277 7.35861 7.40218 numMergedOcc 0
9 mol 26 unq 6 iso 0 dist 9.34599 11.7685 8.25567 13.7277 7.35861 3.9882 numMergedOcc 0
10 mol 26 unq 7 iso 0 dist 6.32127 7.53125 9.44507 8.08257 6.56527 14.288 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 9.52676 6.03595 9.45566 9.5746 7.48846 4.83412 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 5.0478 8.88887 4.38047 6.85941 9.17082 10.5895 numMergedOcc 0
13 mol 65 unq 0 iso 0 dist 9.68286 4.98203 5.83149 8.24043 5.94206 6.59475 numMergedOcc 0
14 mol 65 unq 1 iso 0 dist 8.58416 8.82113 5.83149 4.91428 5.94206 6.59475 numMergedOcc 0
15 mol 68 unq 0 iso 0 dist 7.3797 6.55798 7.07989 5.42651 6.74766 8.57904 numMergedOcc 0
16 mol 68 unq 1 iso 0 dist 7.3797 6.24521 9.77272 5.42651 6.74766 4.05011 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 7.43804 6.39965 5.94696 13.8217 7.36769 9.51607 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 7.43804 6.39965 5.94696 12.9299 6.88901 12.5752 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 6.73172 6.50047 5.42828 12.4858 7.80873 6.62328 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 7.85045 12.6384 7.6005 7.3393 8.38606 10.5065 numMergedOcc 0
21 mol 116 unq 1 iso 0 dist 7.85045 14.5749 8.7583 7.3393 8.38606 14.2962 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 9.20651 16.0868 7.04477 5.87654 5.70795 11.378 numMergedOcc 0
23 mol 247 unq 0 iso 0 dist 6.76933 5.45251 6.18065 6.25568 8.45756 10.7268 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 9.68308 13.6906 6.58109 11.1429 5.9627 6.02223 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 8.95444 5.89194 5.66817 9.21273 6.33496 7.4144 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 8.95444 5.89194 5.66817 7.94816 6.00636 3.86625 numMergedOcc 0
27 mol 256 unq 2 iso 0 dist 8.95444 5.89194 5.66817 9.60388 7.81448 11.0891 numMergedOcc 0
28 mol 256 unq 3 iso 0 dist 8.95444 5.89194 5.66817 10.878 8.54499 11.854 numMergedOcc 0
29 mol 256 unq 4 iso 0 dist 7.53508 11.8934 5.66817 11.5159 6.33496 7.4144 numMergedOcc 0
30 mol 256 unq 5 iso 0 dist 7.53508 11.8934 5.66817 12.9357 6.00636 3.86625 numMergedOcc 0
31 mol 256 unq 6 iso 0 dist 7.53508 11.8934 5.66817 4.03381 7.81448 11.0891 numMergedOcc 0
32 mol 256 unq 7 iso 0 dist 7.53508 11.8934 5.66817 7.45598 8.54499 11.854 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 5.62568 7.85119 8.42076 5.48793 6.95912 5.89772 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 8.82948 13.9294 8.42076 10.7234 6.95912 5.89772 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 5.62568 7.85119 8.42076 5.48793 6.95912 5.89772 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 8.82948 13.9294 8.42076 10.7234 6.95912 5.89772 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 5.62568 7.85119 8.42076 5.48793 6.95912 5.89772 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 8.82948 13.9294 8.42076 10.7234 6.95912 5.89772 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 5.67671 6.32057 6.68863 5.30062 8.25485 10.8497 numMergedOcc 0
