0 mol 21 unq 0 iso 0 dist 7.88429 6.29808 7.08873 5.13371 10.4972 7.05407 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.80849 6.74914 4.79736 3.79072 9.46342 8.69288 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.80849 6.74914 4.79736 6.08283 8.09311 7.77964 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.16494 5.51172 4.55481 4.71262 7.18022 7.01952 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.16494 5.51172 4.55481 4.28439 6.24711 4.58552 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.51543 8.18572 5.31985 5.4968 6.72869 9.59729 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.32453 8.25047 6.77898 11.5226 15.4918 9.08825 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.79726 8.52697 5.09159 3.89377 9.76379 8.64934 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 5.25504 5.65453 6.13636 5.72671 5.51831 8.05579 numMergedOcc 0
9 mol 89 unq 1 iso 0 dist 7.84991 5.65453 4.16955 5.72671 10.9748 8.05579 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.10877 5.46186 12.9351 6.81453 15.7468 7.23305 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.17862 9.77082 3.94537 11.6792 10.3995 8.75345 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.27456 8.0675 3.94537 3.94084 10.3995 8.75345 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.5258 5.80831 9.05551 4.03471 4.22363 6.96745 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.11612 9.21978 6.63111 3.85674 6.24825 7.65564 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.22628 9.26505 6.95773 3.82475 6.39384 7.65564 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 8.53451 6.76896 12.6805 3.75935 11.2631 7.78784 numMergedOcc 0
17 mol 146 unq 1 iso 0 dist 7.24965 6.76896 8.33152 3.75935 9.04757 7.78784 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 7.14849 5.4647 6.42973 3.93042 9.79683 7.86352 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.84116 9.22792 12.9384 5.44287 12.27 5.67168 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.84116 7.85696 9.34394 5.44287 12.27 7.74579 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 8.84116 5.00402 9.61375 5.7782 13.6912 8.36129 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 8.84116 5.00402 9.61375 5.44287 12.27 5.86483 numMergedOcc 0
23 mol 186 unq 4 iso 0 dist 8.16369 9.22792 13.6489 5.44287 10.6493 5.67168 numMergedOcc 0
24 mol 186 unq 5 iso 0 dist 8.16369 7.85696 12.4503 5.44287 10.6493 7.74579 numMergedOcc 0
25 mol 186 unq 6 iso 0 dist 8.16369 5.00402 11.5563 5.7782 10.5776 8.36129 numMergedOcc 0
26 mol 186 unq 7 iso 0 dist 8.16369 5.00402 11.5563 5.44287 10.6493 5.86483 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 5.5581 9.04035 11.3125 9.65426 14.705 9.26214 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 9.66975 8.73525 11.3125 11.1412 14.705 9.26214 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 7.40081 8.79662 10.0028 5.03056 10.0726 5.72 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 7.40081 6.6497 5.77706 5.03056 10.0726 6.84052 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 7.40081 6.6497 5.77706 3.91348 11.2106 9.58086 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 8.79626 9.20504 4.5022 5.66713 5.70635 8.85214 numMergedOcc 0
33 mol 235 unq 1 iso 0 dist 8.79626 6.15704 4.21867 9.92254 5.1823 6.03081 numMergedOcc 0
34 mol 235 unq 2 iso 0 dist 8.79626 6.15704 4.21867 5.66713 5.70635 5.1874 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 8.69557 8.8602 5.71505 3.98086 10.5519 8.30024 numMergedOcc 0
36 mol 243 unq 1 iso 0 dist 8.69557 8.8602 5.71505 4.02386 7.10671 8.20943 numMergedOcc 0
37 mol 243 unq 2 iso 0 dist 4.89168 9.49016 5.71505 12.1329 10.5519 8.30024 numMergedOcc 0
38 mol 243 unq 3 iso 0 dist 4.89168 9.49016 5.71505 6.41173 7.10671 8.20943 numMergedOcc 0
39 mol 243 unq 4 iso 0 dist 9.39147 8.8602 11.8376 3.98086 11.4863 8.30024 numMergedOcc 0
40 mol 243 unq 5 iso 0 dist 9.39147 8.8602 11.8376 4.02386 11.8754 8.20943 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 8.44108 9.18386 7.09754 6.59125 11.9311 7.89938 numMergedOcc 0
