0 mol 7 unq 0 iso 0 dist 8.57437 9.8603 4.57188 17.7278 9.85726 11.0773 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.42142 8.13983 7.00835 5.63648 8.39221 6.38364 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 5.48395 5.84479 6.31718 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.56648 6.36377 5.35079 10.1011 8.67719 10.9143 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 6.8958 6.48625 7.17396 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 5.58384 9.55751 6.34264 5.85228 6.48625 7.17396 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 4.90701 9.62468 6.72123 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 6.23298 9.46247 10.8254 11.8103 9.9348 19.9982 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 4.69583 6.89722 6.19304 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 15.7901 9.68526 10.2049 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.10386 6.18305 5.44275 4.69583 7.26679 6.19304 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 9.10386 6.18305 5.44275 15.8603 9.30776 11.6369 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 5.5199 5.22543 5.16122 4.50603 8.77773 6.57035 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 9.47324 8.21889 7.34473 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 7.66832 8.73648 5.5332 4.93112 9.74643 8.58044 numMergedOcc 0
15 mol 109 unq 2 iso 0 dist 7.66832 8.73648 5.5332 4.48038 6.86702 9.97763 numMergedOcc 0
16 mol 110 unq 0 iso 0 dist 5.43052 8.181 9.01856 9.24029 7.21229 14.5056 numMergedOcc 0
17 mol 110 unq 1 iso 0 dist 5.43052 8.181 9.01856 8.50777 5.25492 14.1413 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.44788 8.82535 7.64443 12.7349 8.53368 15.6571 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 9.44788 6.18763 6.83988 12.7349 8.53368 13.4378 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 9.44788 8.44385 14.8957 12.7349 8.53368 19.9505 numMergedOcc 0
21 mol 119 unq 3 iso 0 dist 9.44788 5.63005 12.1168 12.7349 8.53368 15.7043 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 4.84607 8.84018 6.5107 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 6.23615 9.50322 14.5344 4.64588 6.11955 12.6651 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 6.23615 5.82404 7.96098 4.64588 6.11955 6.80239 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 6.53806 6.7973 6.68061 9.88413 7.02715 11.6934 numMergedOcc 0
26 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 6.54937 8.44989 9.62337 numMergedOcc 0
27 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 6.91082 8.44989 9.62337 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 5.79753 8.3337 8.69245 13.0113 8.64255 11.6759 numMergedOcc 0
29 mol 197 unq 1 iso 0 dist 5.79753 5.41292 4.6678 13.0113 8.64255 12.1443 numMergedOcc 0
30 mol 219 unq 0 iso 0 dist 8.62654 4.87446 10.1098 9.31035 9.77442 13.9267 numMergedOcc 0
31 mol 219 unq 1 iso 0 dist 8.62654 7.49235 5.49378 9.31035 9.77442 13.0405 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 10.9746 9.18675 16.3967 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 12.0816 5.89084 9.45496 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 9.36753 7.86368 6.16697 6.94762 8.47009 6.7625 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 11.9383 6.83152 18.6428 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 9.46728 8.59074 16.5687 9.23693 5.24313 14.6111 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 9.91921 6.2365 6.62361 4.7157 9.31417 5.72887 numMergedOcc 0
38 mol 238 unq 3 iso 0 dist 8.20243 6.2365 5.96552 4.7157 5.56719 5.72887 numMergedOcc 0
39 mol 241 unq 0 iso 0 dist 8.15897 9.18476 4.86437 9.87799 9.72526 7.4631 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 11.9201 5.81927 12.6116 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 9.4886 5.73834 8.31011 8.27707 6.09782 10.5548 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 6.64729 6.77279 8.13497 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 5.98006 8.06771 5.71237 9.79538 9.58006 7.88519 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 5.22111 9.12507 12.3218 5.41945 7.93997 11.858 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 11.079 9.01085 18.0999 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 9.8799 7.36905 13.9464 12.5841 6.28512 18.4752 numMergedOcc 0
47 mol 264 unq 2 iso 0 dist 9.8799 6.83408 5.11257 11.079 9.01085 11.8809 numMergedOcc 0
48 mol 264 unq 3 iso 0 dist 9.8799 6.83408 5.11257 12.5841 6.28512 10.6405 numMergedOcc 0
49 mol 265 unq 0 iso 0 dist 6.98812 7.04833 5.56416 5.58514 9.59213 12.0259 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 4.56913 6.00877 10.7806 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 8.26851 9.52894 17.6855 4.56913 6.00877 13.5896 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 8.14634 6.55855 10.2307 4.56913 8.66451 10.7806 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 8.14634 9.52894 16.0912 4.56913 8.66451 13.5896 numMergedOcc 0
