0 mol 1 unq 0 iso 0 dist 9.44115 5.65716 8.78328 9.76602 13.7976 15.1444 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.44115 5.65716 8.78328 8.54314 10.9135 6.51994 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.95341 9.93613 10.4204 6.26276 6.0397 7.28672 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.95341 5.99711 4.71922 6.26276 6.0397 5.60208 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.62693 6.73259 4.80984 9.27369 4.98603 5.30297 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.12204 8.37544 6.71933 6.66861 10.277 8.02931 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 9.64783 4.92955 6.71933 6.72084 10.277 8.02931 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.96057 5.82501 10.4498 7.48533 4.41568 8.66057 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 9.78437 5.82501 7.27945 7.48533 15.0649 8.66057 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 8.07915 5.06687 11.4939 9.80819 16.3259 7.89336 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 7.97801 5.09809 11.3672 9.81665 16.2236 7.86976 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 7.65559 8.9822 5.80919 8.88796 14.0185 11.0078 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 7.65559 8.32464 9.96936 8.88796 14.0185 5.71752 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 8.70104 5.80513 9.79955 9.62943 14.1153 8.55624 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.52171 7.47107 6.8278 8.03512 4.68937 8.15427 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 6.289 7.47107 7.69247 8.03512 4.34256 8.15427 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 6.87234 7.31388 13.7321 9.26092 5.53185 14.2595 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 8.72017 7.31388 13.22 9.26092 8.62085 14.2595 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 9.76925 6.81743 16.276 6.18065 14.5868 7.07817 numMergedOcc 0
19 mol 270 unq 0 iso 0 dist 8.76013 4.95899 10.4623 8.55914 5.91256 8.65019 numMergedOcc 0
20 mol 270 unq 1 iso 0 dist 8.76013 4.95899 10.4623 8.41507 5.63757 7.31363 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.62431 7.71972 11.3657 9.11072 17.5774 13.2001 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 8.62431 7.71972 11.3657 6.83113 11.0599 4.45396 numMergedOcc 0
23 mol 274 unq 2 iso 0 dist 8.62431 7.71972 11.3657 9.44134 15.961 5.57372 numMergedOcc 0
24 mol 274 unq 3 iso 0 dist 8.62431 9.76049 7.73777 9.11072 17.5774 18.037 numMergedOcc 0
25 mol 274 unq 4 iso 0 dist 8.62431 9.76049 7.73777 6.83113 11.0599 10.4434 numMergedOcc 0
26 mol 274 unq 5 iso 0 dist 8.62431 9.76049 7.73777 9.44134 15.961 12.4711 numMergedOcc 0
27 mol 286 unq 0 iso 0 dist 8.39965 7.77655 4.24882 8.23877 11.0225 11.0947 numMergedOcc 0
