0 mol 18 unq 0 iso 0 dist 4.70023 6.48849 5.24207 9.74802 5.867 9.92123 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.58806 7.03345 12.5434 5.46378 6.23336 11.2386 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.58806 5.2296 9.57167 5.46378 6.23336 9.66509 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.76383 9.49371 14.4027 5.667 4.42702 10.7901 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 4.3761 7.40481 6.38409 7.00373 4.45424 10.5767 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.84583 7.40481 12.4885 7.00373 9.47873 10.5767 numMergedOcc 0
6 mol 99 unq 0 iso 0 dist 5.64099 7.55765 4.95662 9.43616 10.9042 9.88225 numMergedOcc 0
7 mol 99 unq 1 iso 0 dist 5.64099 7.55765 4.95662 8.43048 9.91993 11.6395 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.63152 9.0655 4.88697 7.81733 6.10745 4.47584 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.05913 9.0655 8.87201 7.81733 4.6057 4.47584 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.22824 7.0128 9.69206 8.72056 11.5532 13.6923 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 8.05227 9.92707 12.2056 9.47487 4.40086 10.6459 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 8.05227 6.22734 10.3089 9.47487 4.40086 10.8745 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 9.60654 8.621 13.456 9.16822 11.8766 5.21366 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 7.11262 8.621 10.6299 9.16822 7.34921 5.21366 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 7.09902 6.25959 5.89828 9.13657 5.3674 10.3247 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 6.5095 6.77411 5.58254 9.8043 12.428 15.4195 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 5.1766 6.77411 10.2776 9.8043 7.69259 15.4195 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.79012 5.72892 12.3866 8.76664 16.6519 4.85514 numMergedOcc 0
19 mol 260 unq 1 iso 0 dist 8.79012 5.72892 12.3866 9.00987 14.2669 13.212 numMergedOcc 0
20 mol 270 unq 0 iso 0 dist 4.60602 6.17797 9.50342 9.4555 12.734 7.58893 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 6.20857 8.38819 4.35986 6.76991 6.83359 4.60751 numMergedOcc 0
