0 mol 10 unq 0 iso 0 dist 9.09758 7.18129 8.44864 6.55806 5.59965 5.94361 3.97711 9.43029 4.87706 4.99208 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.1301 5.07557 9.25493 4.38034 5.76024 5.97178 5.5496 9.90835 3.92728 5.21529 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.1301 5.07557 9.25493 6.06519 7.92714 10.229 5.5496 9.90835 3.92728 9.7731 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.1301 5.07557 9.25493 9.69467 8.47217 7.00379 5.5496 9.90835 3.92728 5.41989 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.01238 10.3572 9.44507 13.0316 6.56527 14.288 5.43726 6.7142 8.43529 10.0347 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.3341 4.19247 6.66861 14.1948 9.93096 10.042 9.27285 8.70598 6.89662 10.7467 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 9.3341 6.83997 6.72084 14.1948 9.93096 12.1572 9.27285 8.70598 3.74852 10.7467 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 7.42828 4.23238 5.51406 9.18905 8.66165 10.4949 8.88262 8.77355 6.44712 10.6223 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 5.98441 6.31416 5.51406 8.00102 8.66165 10.4949 11.1951 8.77355 6.44712 10.6223 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 5.45873 4.23182 5.51406 11.1564 8.66165 10.4949 10.5022 8.77355 6.44712 10.6223 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 6.58492 10.7482 7.4518 4.41856 8.89417 14.4094 8.09258 7.28831 3.91263 11.7638 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 6.58492 10.7482 7.4518 5.93923 9.95255 9.73718 8.09258 7.28831 3.91263 5.93472 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.63783 14.6717 7.4518 4.39585 8.89417 14.4094 13.069 7.28831 3.91263 11.7638 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 7.63783 14.6717 7.4518 12.2294 9.95255 9.73718 13.069 7.28831 3.91263 5.93472 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.17878 18.003 9.66068 3.87164 6.6317 14.6132 13.5478 9.30645 8.60362 9.74974 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 9.28249 15.1414 8.08939 15.877 7.95359 8.89726 14.4096 6.53416 10.7011 3.92686 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 9.28249 15.1414 8.08939 6.12937 6.22122 10.6799 14.4096 6.53416 10.7011 10.3324 numMergedOcc 0
17 mol 244 unq 2 iso 0 dist 9.28249 13.9103 7.33574 15.877 7.95359 4.55034 14.4096 6.53416 7.2524 3.92686 numMergedOcc 0
18 mol 244 unq 3 iso 0 dist 9.28249 13.9103 7.33574 6.12937 6.22122 8.05133 14.4096 6.53416 7.2524 10.3324 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 5.2801 10.5631 5.66817 7.49849 6.33496 7.4144 7.84178 6.85663 8.00048 8.60707 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 5.2801 10.5631 5.66817 9.92311 6.00636 3.86625 7.84178 6.85663 8.00048 9.39697 numMergedOcc 0
21 mol 256 unq 2 iso 0 dist 5.2801 10.5631 5.66817 5.91322 7.81448 11.0891 7.84178 6.85663 8.00048 4.05082 numMergedOcc 0
22 mol 256 unq 3 iso 0 dist 5.2801 10.5631 5.66817 5.49322 8.54499 11.854 7.84178 6.85663 8.00048 6.63324 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 8.75324 9.65309 5.68717 6.49889 9.32954 7.55193 3.92288 6.75725 9.0549 9.07649 numMergedOcc 0
24 mol 260 unq 1 iso 0 dist 8.75324 9.65309 5.68717 6.49889 9.32954 7.55193 14.1341 9.31888 6.73886 9.46408 numMergedOcc 0
