0 mol 10 unq 0 iso 0 dist 8.38836 5.40169 7.71365 11.4402 14.9856 9.43029 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.13471 8.00369 7.50126 9.69704 12.7854 6.18431 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 8.13471 8.00369 7.50126 5.4745 12.6926 9.07726 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 9.10587 7.98679 15.0583 12.9956 21.2969 7.53416 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 8.10397 13.0098 6.61696 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.40479 4.90592 6.99746 9.57743 8.24948 5.80953 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.40479 8.16324 7.05541 5.11135 13.5399 9.586 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 9.38831 9.36461 6.99746 13.8334 13.0098 6.61696 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 9.38831 9.36461 6.99746 4.47891 8.24948 5.80953 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 9.58012 4.90592 11.8996 8.10397 16.4932 6.61696 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 9.58012 4.90592 11.8996 9.57743 11.96 5.80953 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 9.58012 8.16324 9.15493 5.11135 7.96195 9.586 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.39754 8.29345 5.8102 8.08435 12.4442 8.93769 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.01011 8.29345 9.98219 8.08435 15.3216 8.93769 numMergedOcc 0
14 mol 105 unq 0 iso 0 dist 8.44437 7.09806 4.22355 9.02856 7.44838 7.77089 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.76594 5.39061 5.66194 4.24991 6.78801 7.75314 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.93453 9.78667 9.21506 12.6553 14.0524 7.42144 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 8.93453 9.78667 9.21506 13.5035 12.7052 6.27658 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 8.93453 6.73983 4.38393 14.228 12.4509 9.27009 numMergedOcc 0
19 mol 141 unq 3 iso 0 dist 8.93453 7.64956 6.06881 8.48213 10.6736 6.65731 numMergedOcc 0
20 mol 141 unq 4 iso 0 dist 8.26172 4.46777 6.52248 5.25982 9.18511 5.92302 numMergedOcc 0
21 mol 141 unq 5 iso 0 dist 8.26172 6.94988 4.98952 5.25982 9.18511 5.29898 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 7.82546 7.32555 6.29877 5.70722 11.1022 9.34834 numMergedOcc 0
23 mol 171 unq 1 iso 0 dist 7.82546 7.32555 6.29877 8.34756 10.6118 5.74846 numMergedOcc 0
24 mol 171 unq 2 iso 0 dist 9.75627 8.1536 11.6944 6.1593 8.999 7.47964 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 7.55358 7.46987 13.1254 9.40383 16.9055 9.45907 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 7.60991 7.46987 8.74186 9.40383 15.1335 9.45907 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 8.12349 4.5271 6.16503 5.40422 12.2866 6.56416 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 8.12349 4.5271 6.16503 6.38897 8.31881 6.88127 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 5.52678 6.37788 5.92931 5.28603 5.53324 4.19371 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 5.52678 6.37788 5.92931 10.7058 11.4466 9.71015 numMergedOcc 0
31 mol 194 unq 2 iso 0 dist 9.81666 8.7028 5.92931 11.0713 5.53324 4.19371 numMergedOcc 0
32 mol 194 unq 3 iso 0 dist 9.81666 8.7028 5.92931 16.9177 11.4466 9.71015 numMergedOcc 0
33 mol 225 unq 0 iso 0 dist 6.53728 8.20162 6.59663 11.6976 7.8744 7.7086 numMergedOcc 0
34 mol 225 unq 1 iso 0 dist 6.53728 9.23935 14.3973 6.05548 11.3657 9.82043 numMergedOcc 0
35 mol 225 unq 2 iso 0 dist 6.53728 7.77552 13.923 6.05548 11.3657 8.22922 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 8.55481 7.39391 12.0545 4.34126 5.9974 8.09509 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 8.3149 7.99521 7.16782 11.362 12.7525 6.75725 numMergedOcc 0
38 mol 260 unq 1 iso 0 dist 8.3149 7.99521 7.16782 5.38958 9.50634 9.31888 numMergedOcc 0
