0 mol 7 unq 0 iso 0 dist 6.72215 8.02892 6.55304 7.39982 10.6581 9.68596 15.2879 15.8875 14.7759 8.41585 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.514 7.44343 9.50382 11.8037 7.4729 6.95572 13.0248 8.95922 7.56363 6.82344 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 7.84888 7.44343 11.3858 11.8037 11.862 6.95572 9.514 5.02055 9.50382 7.4729 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 7.84888 7.44343 11.3858 11.8037 11.862 6.95572 13.0248 12.4494 7.56363 6.82344 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.53368 5.58734 6.36778 6.83988 13.4378 8.00003 12.1173 16.1743 10.4376 6.18601 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.4473 5.80404 5.81428 6.80292 14.0219 9.22232 13.0521 21.1018 16.0138 7.11802 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 9.61081 5.75595 10.0059 11.2897 10.6877 7.78652 11.3921 14.4073 6.48978 5.99315 numMergedOcc 0
7 mol 143 unq 1 iso 0 dist 5.46922 5.75595 8.57817 11.2897 12.7524 7.78652 11.3921 14.5751 6.48978 5.99315 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 7.30021 9.6281 5.4555 5.75141 8.94056 7.90267 10.6034 10.1658 6.03934 7.66148 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 6.71202 6.22667 6.03934 9.07974 12.0598 9.44367 10.0734 10.1658 5.4555 7.44554 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 6.71202 6.22667 6.03934 5.70205 7.66148 7.90267 10.0734 10.1658 5.4555 8.94056 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.43406 6.66608 5.48529 11.067 9.81747 9.39829 11.5992 11.5866 7.20191 7.81386 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 6.43406 6.66608 5.48529 5.16386 9.11469 6.41453 11.5992 11.5866 7.20191 7.63312 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.43584 6.05667 11.6232 6.4623 10.9575 5.44002 10.156 16.7927 10.3603 7.26832 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 9.18675 8.61546 10.8138 14.5234 15.6008 7.43071 10.2913 6.78191 6.00424 9.34734 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 9.18675 8.61546 10.8138 14.5234 15.6008 7.43071 14.5974 13.4068 6.35849 7.22101 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 9.18675 8.61546 10.8138 14.5234 15.6008 7.43071 17.402 13.7597 10.204 8.65997 numMergedOcc 0
17 mol 227 unq 3 iso 0 dist 9.18675 8.61546 10.8138 14.5234 15.6008 7.43071 13.1699 11.5375 9.76735 7.56888 numMergedOcc 0
18 mol 227 unq 4 iso 0 dist 9.18675 8.61546 10.8138 14.5234 15.6008 7.43071 11.3667 12.9921 9.32448 7.55216 numMergedOcc 0
19 mol 227 unq 5 iso 0 dist 9.18675 8.61546 10.8138 13.552 16.3967 6.02296 14.5974 13.4068 6.35849 7.09863 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.68464 6.23146 11.776 13.6402 14.7654 9.05071 9.36645 6.68728 8.80479 8.27212 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 6.77279 9.69025 8.41846 5.71237 8.13497 7.98231 9.58006 4.69778 8.81835 7.88519 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 6.77279 9.69025 8.41846 11.8501 10.3935 7.08526 9.58006 4.69778 8.81835 7.46176 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 9.58006 9.69025 8.81835 5.71237 7.88519 7.98231 6.77279 4.69778 8.41846 8.13497 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 6.75305 9.14393 5.00209 10.0289 6.24356 7.16853 16.8589 10.3202 11.1431 9.361 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.66451 9.02661 6.70925 17.306 13.9359 8.52587 12.0331 9.15171 5.29529 7.56915 numMergedOcc 0
