0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 4.36226 8.53529 7.18019 11.2076 8.79272 7.17012 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.62879 8.96553 8.4069 4.36226 7.18019 8.53529 11.2076 7.17012 8.79272 7.27018 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 4.64838 6.41575 6.41423 10.1882 5.18512 9.47529 6.39966 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 4.97119 6.41575 10.741 6.92532 5.18512 12.3486 6.39966 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 4.97119 6.41575 6.41423 6.92532 5.18512 9.47529 6.39966 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 4.51865 8.4674 5.80928 4.64838 6.41423 6.41575 10.1882 9.47529 5.18512 6.39966 numMergedOcc 0
6 mol 19 unq 4 iso 0 dist 6.864 7.20519 7.07775 4.97119 6.41423 10.741 6.92532 9.47529 12.3486 6.39966 numMergedOcc 0
7 mol 19 unq 5 iso 0 dist 6.864 4.54938 5.80928 4.97119 6.41423 6.41575 6.92532 9.47529 5.18512 6.39966 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 4.32034 7.33768 12.9284 6.60423 6.00575 5.97304 9.69752 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 13.0257 12.0003 11.2106 4.90592 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 8.52463 7.29868 8.60554 6.60423 6.00575 5.97304 9.36461 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 14.012 9.41441 15.392 18.2639 11.1124 16.7963 6.2004 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 13.0257 11.2106 12.0003 4.90592 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 8.86116 6.86014 10.0952 8.52463 8.60554 7.29868 6.60423 5.97304 6.00575 9.36461 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 8.86116 6.86014 10.0952 13.4893 9.44691 15.8209 13.0257 11.2106 12.0003 8.16324 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 12.176 6.73939 18.673 15.5937 10.2913 22.0948 6.2004 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 5.11416 9.24757 13.8696 7.04044 8.26458 15.7304 6.48232 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 5.11416 9.24757 13.0145 7.04044 8.26458 8.35241 6.48232 numMergedOcc 0
18 mol 75 unq 0 iso 0 dist 7.79912 8.56639 5.64643 11.4997 9.81166 14.6043 11.1537 5.36954 10.9465 7.6433 numMergedOcc 0
19 mol 75 unq 1 iso 0 dist 7.79912 8.59017 10.4899 11.4997 9.81166 18.7078 11.1537 5.36954 15.1872 7.6433 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.29301 9.82915 12.0078 7.1589 6.37974 5.08358 8.70863 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 13.5116 9.82915 12.0078 11.2808 6.37974 5.08358 8.70863 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 13.5116 9.82915 14.4382 11.2808 6.37974 12.9551 8.70863 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.06961 6.7117 9.42961 7.26086 7.32662 13.4985 8.43352 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.06961 6.7117 4.47349 7.26086 7.32662 6.934 8.43352 numMergedOcc 0
25 mol 98 unq 2 iso 0 dist 6.10456 5.08437 8.40073 7.06961 4.47349 6.7117 7.26086 6.934 7.32662 8.43352 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 6.10456 6.48948 9.42358 7.06961 4.47349 9.42961 7.26086 6.934 13.4985 8.43352 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 14.2045 8.70296 18.0058 13.311 7.73656 13.854 6.48674 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 6.85062 7.12972 6.63273 14.2045 8.70296 12.6227 13.311 7.73656 8.6647 6.48674 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.71679 7.69991 6.23142 13.846 13.1292 9.4027 9.30061 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 4.57832 6.23142 9.94764 8.20836 9.4027 5.12325 9.30061 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 5.29786 6.23142 9.94764 10.873 9.4027 5.12325 9.30061 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 5.71679 6.23142 7.69991 13.846 9.4027 13.1292 9.30061 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 4.57832 9.94764 6.23142 8.20836 5.12325 9.4027 9.30061 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.29786 9.94764 6.23142 10.873 5.12325 9.4027 9.30061 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 6.57069 9.0018 8.16421 8.29015 9.77896 10.4182 12.6297 11.3554 13.9336 5.89564 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 6.57069 5.6234 5.35493 8.29015 9.77896 11.6765 12.6297 11.3554 15.1986 5.89564 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 5.6044 9.72611 14.2254 6.51749 5.93488 13.8722 7.11785 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 5.6044 9.72611 10.428 6.51749 5.93488 7.64267 7.11785 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 5.86489 7.32294 11.5776 6.85441 5.74707 8.17229 5.91727 numMergedOcc 0
40 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 7.11498 6.59716 13.1498 5.45036 6.17628 10.4136 5.37796 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 5.29529 8.52587 11.6126 9.56685 5.90436 12.106 8.2997 numMergedOcc 0
