0 mol 1 unq 0 iso 0 dist 7.94669 6.4181 8.34833 5.06184 12.2979 6.86701 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 5.96514 4.74069 7.26639 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.65672 8.1599 10.894 5.46563 12.0846 6.9103 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 3.77705 6.44825 8.3733 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 6.56256 10.0149 7.39665 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 6.77421 7.51075 5.31976 6.56256 9.90923 7.39665 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 5.69055 5.47319 7.76775 4.69809 10.0598 5.99857 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 5.69055 9.8809 13.1847 4.69809 10.0598 6.9362 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.09675 8.67532 6.97502 17.2466 12.6865 8.72682 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.09675 8.67532 6.97502 10.2047 7.69222 6.45841 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.09675 8.67532 6.97502 10.8441 5.82056 5.61588 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.09675 8.67532 6.97502 15.2203 9.09115 7.83244 numMergedOcc 0
12 mol 74 unq 0 iso 0 dist 9.09394 9.99155 13.9169 8.14688 15.8987 7.93281 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 7.25561 9.71952 13.0619 6.69911 8.12959 8.13108 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 8.97499 7.28257 13.0619 3.94216 8.12959 8.13108 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 6.97936 10.8478 7.7068 numMergedOcc 0
16 mol 86 unq 0 iso 0 dist 8.32885 8.88225 6.51657 6.62266 10.0303 7.90423 numMergedOcc 0
17 mol 86 unq 1 iso 0 dist 9.14653 9.49308 6.51657 3.88769 10.0303 7.90423 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 11.151 15.8947 7.80898 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 9.02302 9.65047 13.209 8.55456 13.6068 9.3948 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 9.02302 9.65047 13.209 3.84879 12.8162 9.74607 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 9.05571 8.85652 5.51197 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 7.13958 9.28278 4.80675 9.63308 9.31543 6.69691 numMergedOcc 0
23 mol 129 unq 2 iso 0 dist 7.13958 9.28278 4.80675 14.5546 12.172 8.86944 numMergedOcc 0
24 mol 139 unq 0 iso 0 dist 5.77343 6.34417 4.78289 4.37138 7.20542 5.80789 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 6.96644 6.75579 6.52816 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 8.65468 7.16386 9.18673 4.94998 13.2696 8.2123 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 3.72432 9.10498 7.27993 numMergedOcc 0
28 mol 229 unq 1 iso 0 dist 5.75755 8.75374 11.2019 3.72432 9.10498 9.51168 numMergedOcc 0
29 mol 229 unq 2 iso 0 dist 5.75755 5.57702 6.44004 3.72432 9.10498 6.95201 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 5.49348 8.40328 5.85442 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 5.13138 8.2518 6.95511 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.67311 7.36905 11.6328 3.63202 11.8611 5.90924 numMergedOcc 0
33 mol 264 unq 1 iso 0 dist 9.67311 6.83408 6.28828 3.63202 11.8611 9.58916 numMergedOcc 0
34 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 3.7218 5.38409 6.44147 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.7269 13.222 9.35539 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 12.2421 9.91103 8.9682 numMergedOcc 0
37 mol 277 unq 2 iso 0 dist 6.70414 9.29635 5.77904 10.9521 7.0603 6.92711 numMergedOcc 0
