0 mol 0 unq 0 iso 0 dist 8.27602 7.41411 9.72725 9.34624 6.94943 9.64573 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 7.68226 7.29854 6.86701 10.3064 7.27254 12.7486 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 12.291 7.24352 5.64171 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.04174 9.97169 6.66407 4.91809 7.24352 5.64171 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.23033 6.6796 6.6263 5.31824 7.15901 7.05402 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 9.23033 10.2523 6.75943 5.31824 7.15901 5.48048 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 8.81519 5.2876 5.94756 9.16258 7.72462 6.18811 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 6.37273 8.66168 9.8703 12.1527 8.05514 8.53692 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 6.37273 7.1369 7.39665 12.1527 8.05514 15.0902 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 6.89706 8.44462 7.51139 5.03089 8.72458 9.14315 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 6.89706 6.07226 7.80898 5.03089 8.72458 5.31226 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.48388 7.72576 7.06939 12.5542 6.9223 6.08245 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.48388 7.72576 7.06939 12.4705 7.0561 6.86728 numMergedOcc 0
13 mol 105 unq 0 iso 0 dist 9.11206 7.16724 9.16718 12.4798 7.44838 7.33596 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 9.11206 7.70748 7.94633 12.4798 7.44838 8.22667 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 9.58666 6.64056 7.7988 8.28084 7.34602 7.83771 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.58666 6.29647 9.40824 8.28084 7.34602 11.4843 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 9.58666 9.6717 4.22363 8.28084 7.34602 9.97869 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.32738 5.78906 6.04595 10.4505 8.4965 5.61704 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.44814 5.4432 5.37047 12.2045 8.612 9.23795 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 4.77713 5.13268 5.95519 numMergedOcc 0
21 mol 170 unq 1 iso 0 dist 8.95292 11.2005 9.51256 4.77713 5.13268 7.72147 numMergedOcc 0
22 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 5.49143 8.25282 10.1489 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 12.1028 8.54702 4.59567 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.83742 5.52688 9.78218 12.1028 8.54702 9.48743 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 10.9906 9.11454 11.5211 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 8.31344 11.9322 5.1823 10.9906 9.11454 6.65703 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 14.0929 8.88763 13.1624 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 7.69491 5.29737 6.73665 10.4935 6.43209 7.34872 numMergedOcc 0
29 mol 239 unq 2 iso 0 dist 7.69491 5.29737 6.73665 13.5016 8.48769 8.9361 numMergedOcc 0
30 mol 239 unq 3 iso 0 dist 7.69491 10.9704 9.34438 14.0929 8.88763 5.75834 numMergedOcc 0
31 mol 239 unq 4 iso 0 dist 7.69491 10.9704 9.34438 10.4935 6.43209 7.5231 numMergedOcc 0
32 mol 239 unq 5 iso 0 dist 7.69491 10.9704 9.34438 13.5016 8.48769 14.4518 numMergedOcc 0
33 mol 239 unq 6 iso 0 dist 7.69491 12.551 9.35949 14.0929 8.88763 10.7034 numMergedOcc 0
34 mol 239 unq 7 iso 0 dist 7.69491 12.551 9.35949 10.4935 6.43209 4.15997 numMergedOcc 0
35 mol 239 unq 8 iso 0 dist 7.69491 12.551 9.35949 13.5016 8.48769 5.66218 numMergedOcc 0
36 mol 239 unq 9 iso 0 dist 6.64008 11.4465 6.73665 5.15966 8.88763 13.1624 numMergedOcc 0
37 mol 239 unq 10 iso 0 dist 6.64008 11.4465 6.73665 8.27455 6.43209 7.34872 numMergedOcc 0
38 mol 239 unq 11 iso 0 dist 6.64008 11.4465 6.73665 13.5505 8.48769 8.9361 numMergedOcc 0
39 mol 239 unq 12 iso 0 dist 6.64008 5.08687 9.34438 5.15966 8.88763 5.75834 numMergedOcc 0
40 mol 239 unq 13 iso 0 dist 6.64008 5.08687 9.34438 8.27455 6.43209 7.5231 numMergedOcc 0
41 mol 239 unq 14 iso 0 dist 6.64008 5.08687 9.34438 13.5505 8.48769 14.4518 numMergedOcc 0
42 mol 239 unq 15 iso 0 dist 6.64008 12.4215 9.35949 5.15966 8.88763 10.7034 numMergedOcc 0
43 mol 239 unq 16 iso 0 dist 6.64008 12.4215 9.35949 8.27455 6.43209 4.15997 numMergedOcc 0
44 mol 239 unq 17 iso 0 dist 6.64008 12.4215 9.35949 13.5505 8.48769 5.66218 numMergedOcc 0
45 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 12.7164 9.39658 13.9054 numMergedOcc 0
46 mol 252 unq 1 iso 0 dist 4.54745 5.26867 7.15764 7.37634 5.9974 7.63376 numMergedOcc 0
47 mol 273 unq 0 iso 0 dist 5.63226 9.45651 6.31969 7.32607 5.4307 5.9476 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 8.9352 5.34376 6.35028 7.91886 5.81528 6.15987 numMergedOcc 0
49 mol 279 unq 1 iso 0 dist 5.8845 5.86731 6.35028 9.00832 5.81528 6.15987 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 6.13272 12.9146 9.46442 9.18401 9.2558 9.84292 numMergedOcc 0
51 mol 292 unq 1 iso 0 dist 7.02679 13.9754 9.9182 9.18401 9.84946 16.2289 numMergedOcc 0
52 mol 292 unq 2 iso 0 dist 7.02679 12.9146 7.30758 9.18401 9.84946 9.84292 numMergedOcc 0
53 mol 292 unq 3 iso 0 dist 7.02679 5.4258 9.10788 9.18401 9.84946 8.96137 numMergedOcc 0
