0 mol 0 unq 0 iso 0 dist 6.26831 7.40865 5.73813 5.24778 6.64713 10.4616 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 4.94497 8.77457 11.3039 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.3915 8.53529 5.65816 14.1378 8.77457 11.3039 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 8.50424 8.076 7.35972 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.9944 6.55811 4.58685 6.02809 6.32226 7.35972 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 7.9944 7.36018 5.83039 6.02809 6.32226 9.93542 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 7.9944 8.48677 9.06304 6.02809 6.32226 12.3519 numMergedOcc 0
7 mol 9 unq 4 iso 0 dist 7.032 8.64915 4.58685 4.98827 6.32226 7.35972 numMergedOcc 0
8 mol 9 unq 5 iso 0 dist 7.032 8.17347 5.83039 4.98827 6.32226 9.93542 numMergedOcc 0
9 mol 9 unq 6 iso 0 dist 7.032 7.83133 9.193 4.98827 6.32226 11.9655 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 4.32034 9.69752 8.00171 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 4.93188 8.70827 9.75636 5.11617 4.90592 12.8389 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 4.93188 8.70827 9.75636 10.8238 8.16324 11.6684 numMergedOcc 0
15 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 4.93188 6.73939 10.0715 10.8238 8.16324 15.7523 numMergedOcc 0
17 mol 24 unq 6 iso 0 dist 9.24958 9.12854 9.75636 13.2229 4.90592 12.8389 numMergedOcc 0
18 mol 24 unq 7 iso 0 dist 9.24958 9.12854 9.75636 6.7828 8.16324 11.6684 numMergedOcc 0
19 mol 44 unq 0 iso 0 dist 7.52117 9.6782 5.1728 4.55437 7.03307 7.48846 numMergedOcc 0
20 mol 44 unq 1 iso 0 dist 7.52117 9.6782 5.1728 6.16231 7.25707 10.3462 numMergedOcc 0
21 mol 56 unq 0 iso 0 dist 6.77886 7.16773 8.25666 10.0962 6.99108 14.7378 numMergedOcc 0
22 mol 60 unq 0 iso 0 dist 7.55695 9.90939 4.82351 5.94827 4.65127 8.97364 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 13.534 8.57827 12.3938 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 8.65802 7.52354 5.8102 5.83515 7.94453 10.5663 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 4.67519 6.62972 7.14031 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 5.74854 7.5242 8.53212 10.4027 6.62972 7.14031 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 7.12017 7.38135 9.38256 9.75737 9.5669 14.4785 numMergedOcc 0
29 mol 114 unq 0 iso 0 dist 6.34525 6.84011 8.51024 12.7083 9.35942 14.1286 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 7.99623 8.99399 4.99495 7.45148 9.9151 7.20249 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 8.03372 9.36851 6.84211 4.55551 9.94578 9.73158 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 8.03372 4.97175 4.53459 4.55551 9.94578 7.59327 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.1439 5.44303 15.6807 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 13.7237 8.50562 18.6956 numMergedOcc 0
35 mol 131 unq 2 iso 0 dist 9.29384 9.25558 11.2516 13.1439 5.44303 14.8175 numMergedOcc 0
36 mol 131 unq 3 iso 0 dist 9.29384 9.25558 11.2516 13.7237 8.50562 13.2952 numMergedOcc 0
37 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 10.1432 4.46777 6.83404 numMergedOcc 0
38 mol 141 unq 1 iso 0 dist 7.86572 9.97343 5.38571 9.43674 6.94988 11.8798 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 5.38091 7.30357 12.4049 5.81563 7.46845 8.21184 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 5.38091 8.61587 11.7015 5.81563 7.46845 5.9976 numMergedOcc 0
41 mol 162 unq 0 iso 0 dist 8.00506 6.45896 4.56165 9.0783 8.21989 11.3082 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 7.35824 9.39352 10.3786 11.8693 5.89564 16.2138 numMergedOcc 0
43 mol 175 unq 1 iso 0 dist 7.35824 9.39352 10.3786 6.77832 5.60528 13.4698 numMergedOcc 0
44 mol 175 unq 2 iso 0 dist 9.17364 9.39352 11.9672 6.77832 5.5995 13.4698 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 6.51749 8.90963 13.0913 5.6044 7.11785 10.515 numMergedOcc 0
46 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 11.6598 5.68348 6.1886 numMergedOcc 0
47 mol 194 unq 1 iso 0 dist 8.83356 8.29382 12.361 7.11753 5.68348 12.3845 numMergedOcc 0
48 mol 194 unq 2 iso 0 dist 8.83356 6.72379 7.50057 7.11753 5.68348 6.38324 numMergedOcc 0
49 mol 204 unq 0 iso 0 dist 6.85441 9.68728 5.42649 5.86489 5.91727 10.2072 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 14.4523 9.17946 17.31 numMergedOcc 0
51 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 numMergedOcc 0
52 mol 258 unq 0 iso 0 dist 6.70815 7.21311 8.10604 10.8558 9.91199 16.0544 numMergedOcc 0
53 mol 274 unq 0 iso 0 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 numMergedOcc 0
54 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 5.58929 9.30921 11.0829 numMergedOcc 0
