0 mol 38 unq 0 iso 0 dist 7.96306 5.96514 4.74069 5.73067 7.46414 7.26639 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 3.77705 6.44825 9.46247 11 8.3733 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 6.77421 6.56256 9.90923 14.0352 14.8791 9.8703 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 6.77421 6.56256 9.90923 7.51075 5.31976 7.39665 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.09675 10.2047 7.69222 8.67532 6.97502 6.45841 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.09675 10.8441 5.82056 12.1964 4.30874 5.5087 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.09675 10.8441 5.82056 8.67532 6.97502 5.61588 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.09675 15.2203 9.09115 12.1964 4.30874 6.08682 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.09675 15.2203 9.09115 8.67532 6.97502 7.83244 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 9.02753 14.0199 7.69222 11.9045 6.97502 6.45841 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.02753 13.7625 5.82056 13.0791 4.30874 5.5087 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 9.02753 13.7625 5.82056 11.9045 6.97502 5.61588 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 9.02753 17.5374 9.09115 13.0791 4.30874 6.08682 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 9.02753 17.5374 9.09115 11.9045 6.97502 7.83244 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 7.25561 6.69911 8.12959 9.71952 13.0619 8.13108 numMergedOcc 0
15 mol 76 unq 1 iso 0 dist 8.97499 3.94216 8.12959 7.28257 13.0619 8.13108 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.67429 6.67053 8.33185 11.9697 6.57937 8.28795 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.13958 9.63308 9.31543 9.28278 4.80675 6.69691 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 7.13958 9.05571 8.85652 9.28278 4.80675 5.51197 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 9.92685 12.989 9.67398 15.3663 7.09664 6.93139 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.06614 10.7814 9.7105 13.2491 9.71227 7.22643 numMergedOcc 0
21 mol 139 unq 0 iso 0 dist 5.77343 4.37138 7.20542 6.34417 4.78289 5.80789 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 5.16143 5.05961 5.55218 12.6683 13.8829 8.97626 numMergedOcc 0
23 mol 155 unq 1 iso 0 dist 8.08392 5.68679 5.55218 11.1867 13.8829 8.97626 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 5.31333 9.03587 5.27578 10.799 7.82249 9.3498 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 5.31333 9.03587 5.27578 13.8056 9.09826 7.05695 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 7.84215 10.0544 6.75579 8.87534 4.25942 6.52816 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 7.97183 6.96644 6.75579 5.96555 4.25942 6.52816 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 7.47852 11.1052 8.94981 17.4302 17.0867 8.1945 numMergedOcc 0
29 mol 225 unq 1 iso 0 dist 7.47852 11.1052 8.94981 10.689 6.89798 6.50998 numMergedOcc 0
30 mol 225 unq 2 iso 0 dist 7.47852 3.60045 5.90986 10.689 6.89798 9.09424 numMergedOcc 0
31 mol 225 unq 3 iso 0 dist 7.47852 10.6169 7.50697 10.689 6.89798 8.14831 numMergedOcc 0
32 mol 225 unq 4 iso 0 dist 6.22332 13.5289 8.94981 20.9931 17.0867 8.1945 numMergedOcc 0
33 mol 225 unq 5 iso 0 dist 6.22332 13.5289 8.94981 12.2756 6.89798 6.50998 numMergedOcc 0
34 mol 225 unq 6 iso 0 dist 6.22332 6.40342 5.90986 12.2756 6.89798 9.09424 numMergedOcc 0
35 mol 225 unq 7 iso 0 dist 6.22332 9.92088 7.50697 12.2756 6.89798 8.14831 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.29888 16.4705 9.67281 9.01016 7.01206 9.12776 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.29888 16.4705 9.67281 19.4197 11.2453 9.72188 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.06908 5.49348 8.40328 9.54857 6.18571 5.85442 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 8.06908 5.49348 8.40328 9.56653 12.3834 6.9899 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 8.06908 5.13138 8.2518 14.0139 11.0067 9.46361 numMergedOcc 0
41 mol 259 unq 3 iso 0 dist 8.06908 5.13138 8.2518 9.54857 6.18571 6.95511 numMergedOcc 0
42 mol 272 unq 0 iso 0 dist 7.38085 3.7218 5.38409 9.64596 4.78295 6.44147 numMergedOcc 0
43 mol 273 unq 0 iso 0 dist 9.80002 15.8245 6.95569 17.9665 11.0966 6.31969 numMergedOcc 0
44 mol 273 unq 1 iso 0 dist 6.73794 13.255 6.95569 16.1263 11.0966 6.31969 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 6.70414 12.2421 9.91103 17.8158 16.3552 9.57499 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 6.70414 12.2421 9.91103 14.3464 10.4297 5.46926 numMergedOcc 0
47 mol 277 unq 2 iso 0 dist 6.70414 12.2421 9.91103 9.29635 5.77904 8.9682 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 6.70414 10.9521 7.0603 14.3464 10.4297 5.13913 numMergedOcc 0
49 mol 277 unq 4 iso 0 dist 6.70414 10.9521 7.0603 9.29635 5.77904 6.92711 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 6.0218 5.55901 7.4869 9.16248 6.07005 6.02353 numMergedOcc 0
51 mol 280 unq 1 iso 0 dist 6.0218 5.55901 7.4869 9.02427 7.38048 6.86234 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 5.76796 6.01574 6.24134 12.0919 9.237 7.80862 numMergedOcc 0
