0 mol 10 unq 0 iso 0 dist 9.09758 7.18129 8.44864 6.55806 5.59965 5.94361 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.05626 5.9304 9.78754 10.0977 7.98326 9.66474 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.05626 5.9304 9.78754 6.5069 7.90478 10.3999 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 9.1301 5.07557 9.25493 4.38034 5.76024 5.97178 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 9.1301 5.07557 9.25493 6.06519 7.92714 10.229 numMergedOcc 0
5 mol 12 unq 2 iso 0 dist 9.1301 5.07557 9.25493 9.69467 8.47217 7.00379 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.01238 10.3572 9.44507 13.0316 6.56527 14.288 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.54052 10.5752 4.38047 11.754 9.17082 10.5895 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 9.3341 4.19247 6.66861 14.1948 9.93096 10.042 numMergedOcc 0
9 mol 55 unq 1 iso 0 dist 9.3341 6.83997 6.72084 14.1948 9.93096 12.1572 numMergedOcc 0
10 mol 65 unq 0 iso 0 dist 6.99979 4.24391 5.83149 4.37601 5.94206 6.59475 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 7.42828 4.23238 5.51406 9.18905 8.66165 10.4949 numMergedOcc 0
12 mol 91 unq 1 iso 0 dist 5.98441 6.31416 5.51406 8.00102 8.66165 10.4949 numMergedOcc 0
13 mol 91 unq 2 iso 0 dist 5.45873 4.23182 5.51406 11.1564 8.66165 10.4949 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 6.58492 10.7482 7.4518 4.41856 8.89417 14.4094 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 6.58492 10.7482 7.4518 5.93923 9.95255 9.73718 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 7.63783 14.6717 7.4518 4.39585 8.89417 14.4094 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 7.63783 14.6717 7.4518 12.2294 9.95255 9.73718 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.17878 18.003 9.66068 3.87164 6.6317 14.6132 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 8.22952 12.7673 7.04477 7.04199 5.70795 11.378 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 9.28249 15.1414 8.08939 15.877 7.95359 8.89726 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 9.28249 15.1414 8.08939 6.12937 6.22122 10.6799 numMergedOcc 0
22 mol 244 unq 2 iso 0 dist 9.28249 13.9103 7.33574 15.877 7.95359 4.55034 numMergedOcc 0
23 mol 244 unq 3 iso 0 dist 9.28249 13.9103 7.33574 6.12937 6.22122 8.05133 numMergedOcc 0
24 mol 247 unq 0 iso 0 dist 5.18532 7.28781 6.18065 4.46 8.45756 10.7268 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 6.7282 12.0518 6.58109 7.64577 5.9627 6.02223 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 5.2801 10.5631 5.66817 7.49849 6.33496 7.4144 numMergedOcc 0
27 mol 256 unq 1 iso 0 dist 5.2801 10.5631 5.66817 9.92311 6.00636 3.86625 numMergedOcc 0
28 mol 256 unq 2 iso 0 dist 5.2801 10.5631 5.66817 5.91322 7.81448 11.0891 numMergedOcc 0
29 mol 256 unq 3 iso 0 dist 5.2801 10.5631 5.66817 5.49322 8.54499 11.854 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 8.75324 9.65309 5.68717 6.49889 9.32954 7.55193 numMergedOcc 0
