0 mol 19 unq 0 iso 0 dist 8.82056 7.21217 9.69454 4.07239 6.00439 8.47464 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 10.7814 9.83618 12.8035 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.13476 12.423 6.59893 6.2425 5.02241 10.8658 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.13476 9.45804 5.59773 6.2425 5.02241 10.352 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 5.25504 6.28243 6.36021 4.37893 8.75946 7.37332 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 12.6562 9.13561 10.5988 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 7.14849 7.17894 8.0974 8.42124 8.96511 11.6559 numMergedOcc 0
7 mol 178 unq 1 iso 0 dist 8.63718 15.0874 8.0974 8.15374 8.96511 11.6559 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 9.14737 15.3424 8.64255 7.69844 8.99696 10.1284 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 9.14737 15.3424 8.64255 15.0242 7.85058 9.91133 numMergedOcc 0
10 mol 197 unq 2 iso 0 dist 9.14737 15.3424 8.64255 12.1399 9.96638 8.50763 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.61379 13.0098 6.56437 4.53973 7.06793 11.7838 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 9.61379 13.0098 6.56437 5.98813 6.67585 10.4999 numMergedOcc 0
13 mol 224 unq 2 iso 0 dist 9.61379 12.6599 6.23882 4.53973 7.06793 9.57742 numMergedOcc 0
14 mol 224 unq 3 iso 0 dist 9.61379 12.6599 6.23882 5.98813 6.67585 12.0368 numMergedOcc 0
15 mol 224 unq 4 iso 0 dist 9.61379 5.1945 9.53131 4.53973 7.06793 8.30442 numMergedOcc 0
16 mol 224 unq 5 iso 0 dist 9.61379 5.1945 9.53131 5.98813 6.67585 4.63666 numMergedOcc 0
17 mol 224 unq 6 iso 0 dist 9.61379 4.72179 9.34636 4.53973 7.06793 5.46434 numMergedOcc 0
18 mol 224 unq 7 iso 0 dist 9.61379 4.72179 9.34636 5.98813 6.67585 5.03449 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 8.79626 6.25514 7.2346 12.9417 7.32211 9.5053 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 8.39522 11.1968 9.75174 10.4124 6.91569 5.1967 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 9.5107 10.5215 8.71859 7.39322 6.07192 4.11367 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.86979 11.834 7.7993 10.094 7.19465 14.5897 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 9.86979 6.26583 6.10761 10.094 7.19465 8.77813 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.95261 13.3046 5.36776 9.63067 7.14834 9.09314 numMergedOcc 0
25 mol 257 unq 1 iso 0 dist 7.80336 11.62 5.36776 5.47761 7.14834 9.09314 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.20344 4.98212 9.58006 12.9748 7.48005 15.1483 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.69345 5.42001 5.90381 13.2072 7.50578 10.8128 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 10.971 9.41725 9.14131 numMergedOcc 0
