0 mol 10 unq 0 iso 0 dist 6.6345 5.62237 8.13471 9.13852 8.00369 7.50126 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.32719 8.0641 9.72965 11.6018 7.40415 12.67 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.32719 10.6532 5.63315 11.6018 7.40415 7.00226 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 5.32719 12.9204 9.8465 11.6018 7.40415 5.93722 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 7.03702 5.53358 9.72965 12.7227 7.40415 12.67 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 7.03702 9.79971 5.63315 12.7227 7.40415 7.00226 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 7.03702 11.7809 9.8465 12.7227 7.40415 5.93722 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.39494 9.06936 8.58543 13.4867 7.62738 15.4757 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 6.40964 9.28233 8.03028 5.04277 8.57827 12.6909 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 6.40964 9.28233 8.03028 6.77665 7.94453 7.57205 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 6.40964 11.1606 7.39754 5.04277 8.57827 15.1698 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 6.40964 11.1606 7.39754 6.77665 7.94453 6.82081 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.16531 4.55916 5.51624 14.4018 7.62611 11.4196 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.16531 15.9068 7.8674 14.4018 7.62611 8.05783 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 8.98593 13.8162 5.51624 7.04959 7.62611 11.4196 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 8.98593 8.93352 7.8674 7.04959 7.62611 8.05783 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 8.66946 9.99581 8.44437 8.62526 7.71923 7.41096 numMergedOcc 0
17 mol 105 unq 1 iso 0 dist 8.66946 9.99581 8.44437 9.71724 9.87821 4.88348 numMergedOcc 0
18 mol 105 unq 2 iso 0 dist 8.66946 9.99581 8.44437 11.7138 7.09806 4.22355 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.71813 5.71872 9.92553 6.12935 6.76575 10.9279 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 8.02258 10.8234 8.26172 5.63251 4.46777 6.52248 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 8.02258 10.8234 8.26172 12.1023 6.94988 4.98952 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.6792 12.783 8.53374 10.301 7.14263 3.76192 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 8.6792 12.783 8.53374 4.05981 8.57005 11.41 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.02096 9.412 7.32419 8.56805 8.05247 11.2348 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 9.02096 9.412 7.32419 11.8728 9.71028 8.94702 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 9.02096 11.9733 8.31961 8.56805 8.05247 9.23758 numMergedOcc 0
27 mol 175 unq 3 iso 0 dist 9.02096 11.9733 8.31961 11.8728 9.71028 4.06277 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.95201 4.89182 7.23293 4.93748 5.45675 5.91678 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 8.16906 10.4922 7.23293 4.78938 5.45675 5.91678 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 5.8679 11.3148 9.06334 10.6737 9.32945 7.21841 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 8.35413 10.2978 6.47194 10.3959 9.91199 8.09074 numMergedOcc 0
