0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 6.26831 6.34883 9.19662 5.24778 11.2072 11.2263 6.64713 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 6.26831 9.19662 6.34883 5.24778 11.2263 11.2072 6.64713 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.92532 12.3486 5.18512 4.97119 10.741 6.41575 6.39966 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 6.92532 5.18512 12.3486 4.97119 6.41575 10.741 6.39966 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 6.92532 12.3486 9.47529 4.97119 10.741 6.41423 6.39966 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 6.92532 9.47529 12.3486 4.97119 6.41423 10.741 6.39966 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 6.92532 5.18512 9.47529 4.97119 6.41575 6.41423 6.39966 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 6.92532 9.47529 5.18512 4.97119 6.41423 6.41575 6.39966 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 4.32034 7.33768 12.9284 9.69752 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 4.32034 12.9284 7.33768 9.69752 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 8.52463 7.29868 8.60554 9.36461 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 8.52463 8.60554 7.29868 9.36461 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 7.04044 15.7304 8.26458 5.11416 13.8696 9.24757 6.48232 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 7.04044 8.26458 15.7304 5.11416 9.24757 13.8696 6.48232 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 7.04044 15.7304 8.35241 5.11416 13.8696 13.0145 6.48232 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 7.04044 8.35241 15.7304 5.11416 13.0145 13.8696 6.48232 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 7.04044 8.26458 8.35241 5.11416 9.24757 13.0145 6.48232 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 7.04044 8.35241 8.26458 5.11416 13.0145 9.24757 6.48232 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 7.1589 6.37974 5.08358 9.29301 9.82915 12.0078 8.70863 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 7.1589 5.08358 6.37974 9.29301 12.0078 9.82915 8.70863 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.26086 7.32662 13.4985 7.06961 6.7117 9.42961 8.43352 numMergedOcc 0
21 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 7.26086 13.4985 7.32662 7.06961 9.42961 6.7117 8.43352 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.26086 7.32662 6.934 7.06961 6.7117 4.47349 8.43352 numMergedOcc 0
23 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 7.26086 6.934 7.32662 7.06961 4.47349 6.7117 8.43352 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 7.26086 13.4985 6.934 7.06961 9.42961 4.47349 8.43352 numMergedOcc 0
25 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 7.26086 6.934 13.4985 7.06961 4.47349 9.42961 8.43352 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 7.12017 9.52882 12.6602 9.75737 15.8683 16.5404 9.5669 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 9.75737 16.5404 15.8683 9.5669 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 6.45675 8.86688 9.71151 7.12017 9.52882 14.8674 9.75737 15.8683 16.3323 9.5669 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 8.86688 6.45675 9.71151 7.12017 14.8674 9.52882 9.75737 16.3323 15.8683 9.5669 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 9.75737 16.5404 16.3323 9.5669 numMergedOcc 0
31 mol 100 unq 1 iso 1 dist 8.86688 7.47343 10.1407 7.12017 14.8674 12.6602 9.75737 16.3323 16.5404 9.5669 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 9.60462 7.45389 7.05226 8.729 11.0629 5.48848 5.39346 10.1861 10.15 9.77017 numMergedOcc 0
33 mol 112 unq 0 iso 1 dist 7.45389 9.60462 7.05226 8.729 5.48848 11.0629 5.39346 10.15 10.1861 9.77017 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 6.11741 7.88312 7.69052 5.74857 6.08806 7.21418 5.22052 11.0224 12.13 8.85881 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 7.88312 6.11741 7.69052 5.74857 7.21418 6.08806 5.22052 12.13 11.0224 8.85881 numMergedOcc 0
36 mol 120 unq 0 iso 0 dist 8.75408 6.44653 5.23036 8.93905 7.27181 10.5192 8.2619 11.9051 13.082 6.03352 numMergedOcc 0
37 mol 120 unq 0 iso 1 dist 6.44653 8.75408 5.23036 8.93905 10.5192 7.27181 8.2619 13.082 11.9051 6.03352 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 4.57832 6.23142 9.94764 9.30061 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 4.57832 9.94764 6.23142 9.30061 numMergedOcc 0
40 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 5.38091 10.7023 9.00862 5.81563 13.0658 11.5017 7.46845 numMergedOcc 0
41 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 5.38091 9.00862 10.7023 5.81563 11.5017 13.0658 7.46845 numMergedOcc 0
42 mol 156 unq 1 iso 0 dist 8.34702 8.33171 6.56229 5.38091 10.7023 11.1271 5.81563 13.0658 10.0063 7.46845 numMergedOcc 0
43 mol 156 unq 1 iso 1 dist 8.33171 8.34702 6.56229 5.38091 11.1271 10.7023 5.81563 10.0063 13.0658 7.46845 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 9.06726 8.33171 5.64555 5.38091 9.00862 11.1271 5.81563 11.5017 10.0063 7.46845 numMergedOcc 0
45 mol 156 unq 1 iso 1 dist 8.33171 9.06726 5.64555 5.38091 11.1271 9.00862 5.81563 10.0063 11.5017 7.46845 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.51749 13.8722 5.93488 5.6044 14.2254 9.72611 7.11785 numMergedOcc 0
47 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 5.6044 9.72611 14.2254 7.11785 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.51749 13.8722 7.64267 5.6044 14.2254 10.428 7.11785 numMergedOcc 0
49 mol 181 unq 1 iso 1 dist 9.15386 9.1374 12.1628 6.51749 7.64267 13.8722 5.6044 10.428 14.2254 7.11785 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 5.6044 9.72611 10.428 7.11785 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 6.51749 7.64267 5.93488 5.6044 10.428 9.72611 7.11785 numMergedOcc 0
52 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 6.85441 8.17229 5.74707 5.86489 11.5776 7.32294 5.91727 numMergedOcc 0
53 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 6.85441 5.74707 8.17229 5.86489 7.32294 11.5776 5.91727 numMergedOcc 0
54 mol 220 unq 0 iso 0 dist 9.23153 8.24498 10.5449 5.45036 6.17628 10.4136 7.11498 6.59716 13.1498 5.37796 numMergedOcc 0
55 mol 220 unq 0 iso 1 dist 8.24498 9.23153 10.5449 5.45036 10.4136 6.17628 7.11498 13.1498 6.59716 5.37796 numMergedOcc 0
56 mol 272 unq 0 iso 0 dist 8.33638 8.46116 5.40809 8.46061 8.7909 4.86504 6.32008 13.0773 12.0724 9.18635 numMergedOcc 0
57 mol 272 unq 0 iso 1 dist 8.46116 8.33638 5.40809 8.46061 4.86504 8.7909 6.32008 12.0724 13.0773 9.18635 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.56685 5.90436 12.106 5.29529 8.52587 11.6126 8.2997 numMergedOcc 0
59 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 9.56685 12.106 5.90436 5.29529 11.6126 8.52587 8.2997 numMergedOcc 0
