0 mol 19 unq 0 iso 0 dist 9.51827 4.76843 7.48847 5.62069 6.39966 6.42867 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 9.51827 10.4738 6.92532 5.62069 6.39966 4.97119 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 9.51827 9.54842 6.36455 5.62069 6.39966 6.01808 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.42635 6.50219 6.77886 7.00835 6.99108 10.0962 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 5.57362 7.02555 6.77886 9.81718 6.99108 10.0962 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 9.2146 7.77959 9.96399 7.78889 4.65127 11.2415 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 9.2146 6.71277 7.55695 7.78889 4.65127 5.94827 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 9.2146 9.90125 8.82176 7.78889 4.65127 5.32257 numMergedOcc 0
8 mol 60 unq 3 iso 0 dist 9.52359 9.83357 9.96399 11.0114 4.65127 11.2415 numMergedOcc 0
9 mol 60 unq 4 iso 0 dist 9.52359 12.0437 7.55695 11.0114 4.65127 5.94827 numMergedOcc 0
10 mol 60 unq 5 iso 0 dist 9.52359 15.2553 8.82176 11.0114 4.65127 5.32257 numMergedOcc 0
11 mol 60 unq 6 iso 0 dist 7.01028 3.88612 9.96399 8.28873 4.65127 11.2415 numMergedOcc 0
12 mol 60 unq 7 iso 0 dist 7.01028 6.34274 7.55695 8.28873 4.65127 5.94827 numMergedOcc 0
13 mol 60 unq 8 iso 0 dist 7.01028 10.7382 8.82176 8.28873 4.65127 5.32257 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 6.92734 11.3297 5.88354 9.43446 6.62972 4.67519 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 6.92734 11.3491 7.89665 9.43446 6.62972 6.6076 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 6.92734 11.0376 5.39354 9.43446 6.62972 10.6513 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 6.92734 12.3107 5.74854 9.43446 6.62972 10.4027 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 6.92734 9.96789 8.76566 9.43446 6.62972 12.3568 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 6.92734 8.34599 8.8368 9.43446 6.62972 14.5457 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.97296 5.96628 7.12017 13.2418 9.5669 9.75737 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 8.8782 7.36094 6.20182 8.99811 7.14263 4.20425 numMergedOcc 0
22 mol 162 unq 1 iso 0 dist 8.8782 7.36094 6.20182 10.4759 8.57005 6.07158 numMergedOcc 0
23 mol 162 unq 2 iso 0 dist 9.92067 4.91877 8.00506 8.39452 8.21989 9.0783 numMergedOcc 0
24 mol 162 unq 3 iso 0 dist 9.73694 9.06574 8.00506 4.03288 8.21989 9.0783 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 8.37755 9.97933 8.0154 5.28675 8.05247 6.29885 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 8.37755 9.97933 8.0154 6.38977 9.71028 7.27408 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.64056 5.2964 9.56197 12.8974 7.46987 9.74148 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 9.64056 12.3728 7.24795 12.8974 7.46987 7.30024 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 9.64056 5.21423 8.64409 12.8974 7.46987 11.6919 numMergedOcc 0
30 mol 186 unq 3 iso 0 dist 9.64056 8.51352 7.60202 12.8974 7.46987 5.3967 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 9.06602 11.3013 6.26839 11.9766 5.68348 11.6598 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 9.06602 5.63765 8.12346 11.9766 5.68348 12.0887 numMergedOcc 0
33 mol 194 unq 2 iso 0 dist 9.06602 10.3113 8.83356 11.9766 5.68348 7.11753 numMergedOcc 0
34 mol 194 unq 3 iso 0 dist 9.06602 4.73065 8.2654 11.9766 5.68348 12.8755 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 6.76126 9.95267 9.56685 6.04926 8.2997 5.29529 numMergedOcc 0
