0 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 13.9246 9.49373 8.23909 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 5.06937 9.34846 10.6042 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.06188 8.89758 4.6365 6.47086 8.5859 10.9423 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 10.8544 7.03264 12.2258 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.85416 9.99634 6.43864 10.8964 7.03264 6.6003 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 5.62336 9.1329 5.507 5.6513 8.29967 11.5541 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 5.62336 9.1329 5.507 6.69874 8.5776 8.50159 numMergedOcc 0
7 mol 87 unq 2 iso 0 dist 5.62336 9.33217 5.76272 5.6513 8.29967 10.417 numMergedOcc 0
8 mol 87 unq 3 iso 0 dist 5.62336 9.33217 5.76272 6.69874 8.5776 13.3168 numMergedOcc 0
9 mol 87 unq 4 iso 0 dist 5.62336 9.03114 7.26523 5.6513 8.29967 14.0915 numMergedOcc 0
10 mol 87 unq 5 iso 0 dist 5.62336 9.03114 7.26523 6.69874 8.5776 12.4093 numMergedOcc 0
11 mol 87 unq 6 iso 0 dist 5.63748 5.26938 5.507 7.41574 8.29967 11.5541 numMergedOcc 0
12 mol 87 unq 7 iso 0 dist 5.63748 5.26938 5.507 3.66319 8.5776 8.50159 numMergedOcc 0
13 mol 87 unq 8 iso 0 dist 5.63748 8.91602 7.26523 7.41574 8.29967 14.0915 numMergedOcc 0
14 mol 87 unq 9 iso 0 dist 5.63748 8.91602 7.26523 3.66319 8.5776 12.4093 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 5.14617 6.42762 6.86946 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 5.83719 6.65963 4.98711 9.81852 9.62885 12.8962 numMergedOcc 0
17 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 9.81852 9.62885 17.4599 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.76088 8.96061 8.99025 13.0543 6.00667 13.0251 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 8.76088 8.96061 8.99025 8.08082 8.00919 14.1445 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 9.13339 8.28732 7.94378 5.01433 9.8553 12.3363 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 9.54337 8.55431 12.3309 5.16179 9.58089 13.5056 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 4.44885 5.25888 5.08206 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 4.39505 8.63031 7.86625 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 4.81837 6.57849 5.47046 6.89035 5.8325 11.0135 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 9.42047 7.0119 4.1887 4.85877 8.75124 8.31638 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 4.36421 7.77535 7.98893 6.3445 9.16249 13.6204 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 6.50756 9.85951 5.55687 6.25318 9.21798 14.3348 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 8.69437 5.32724 5.58623 9.42974 7.11282 10.3329 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 8.88741 7.15785 6.43209 6.13416 8.69675 9.62828 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 8.88741 9.43169 7.78464 6.13416 8.69675 13.3636 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 9.22572 8.52208 4.40208 6.79888 8.05484 9.70907 numMergedOcc 0
