0 mol 19 unq 0 iso 0 dist 4.54938 7.20519 7.34551 6.92532 5.18512 12.3486 4.97119 6.41575 10.741 6.39966 numMergedOcc 0
1 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
2 mol 19 unq 2 iso 0 dist 6.864 7.20519 7.07775 6.92532 9.47529 12.3486 4.97119 6.41423 10.741 6.39966 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 6.864 4.54938 5.80928 6.92532 9.47529 5.18512 4.97119 6.41423 6.41575 6.39966 numMergedOcc 0
4 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
5 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 8.67951 9.01567 13.4393 12.7806 numMergedOcc 0
6 mol 24 unq 2 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
7 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 14.012 9.41441 15.392 11.5841 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 8.52463 8.60554 7.29868 9.36461 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 10.971 8.44664 16.1126 11.9865 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 13.4893 9.44691 15.8209 14.4545 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.90155 9.36158 10.1525 6.08585 8.50222 7.55264 12.7162 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 7.17969 7.57578 4.33106 6.90155 10.1525 9.36158 6.08585 7.55264 8.50222 12.7162 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 6.03987 7.31767 4.51512 5.81959 8.4666 7.63409 5.68392 6.85556 9.79094 11.3646 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.60739 9.06158 5.64171 8.38399 8.95682 12.3649 14.2655 numMergedOcc 0
15 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 8.60739 9.06158 11.3891 8.38399 8.95682 14.3789 14.2655 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 7.04044 8.26458 15.7304 5.11416 9.24757 13.8696 6.48232 numMergedOcc 0
17 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
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 1 iso 0 dist 6.19965 7.97049 5.42586 7.1589 5.08358 6.37974 8.09967 7.54568 10.0796 12.1999 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 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
22 mol 98 unq 2 iso 0 dist 6.10456 5.08437 8.40073 7.26086 6.934 7.32662 7.06961 4.47349 6.7117 8.43352 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 6.10456 6.48948 9.42358 7.26086 6.934 13.4985 7.06961 4.47349 9.42961 8.43352 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 12.2861 8.30845 10.6086 20.8516 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 15.5385 8.76378 13.2102 21.7784 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 12.2861 8.30845 10.6086 13.9603 numMergedOcc 0
27 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 15.5385 8.76378 13.2102 21.4058 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 12.2861 8.30845 18.1777 20.8516 numMergedOcc 0
29 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 15.5385 8.76378 14.0386 21.7784 numMergedOcc 0
30 mol 100 unq 6 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 12.2861 8.30845 18.1777 13.9603 numMergedOcc 0
31 mol 100 unq 7 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 15.5385 8.76378 14.0386 21.4058 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.53031 5.35679 8.46636 5.71679 7.69991 6.23142 10.0154 numMergedOcc 0
33 mol 134 unq 1 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
34 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 5.53031 8.46636 5.35679 5.71679 6.23142 7.69991 10.0154 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 4.57832 9.94764 6.23142 9.30061 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.51749 13.8722 5.93488 6.6251 6.2479 7.99195 10.8541 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.51749 13.8722 7.64267 6.6251 6.2479 12.8533 10.8541 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 5.6044 9.72611 14.2254 7.11785 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 6.6251 7.99195 6.2479 10.8541 numMergedOcc 0
40 mol 181 unq 4 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
41 mol 181 unq 5 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 6.6251 7.99195 12.8533 10.8541 numMergedOcc 0
42 mol 204 unq 0 iso 0 dist 8.51516 7.10633 10.8344 6.85441 5.74707 8.17229 5.86489 7.32294 11.5776 5.91727 numMergedOcc 0
43 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
44 mol 220 unq 1 iso 0 dist 9.23153 8.24498 10.5449 9.97586 14.0253 6.20511 7.11498 6.59716 13.1498 15.9038 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 6.35849 7.43071 6.02296 14.3567 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 10.9607 5.41321 9.74265 12.135 numMergedOcc 0
47 mol 227 unq 2 iso 0 dist 7.09863 7.22101 4.39704 8.38865 12.9587 11.0628 6.35849 6.02296 7.43071 14.3567 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 8.22528 7.03423 5.57838 8.92743 11.6847 9.62106 6.65022 8.66332 11.1976 13.9637 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 6.60405 6.42289 7.26417 9.53063 6.6525 5.27959 5.63675 7.21311 11.2102 12.3072 numMergedOcc 0
50 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
51 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 8.49922 9.27829 12.9674 5.29529 8.52587 11.6126 10.4781 numMergedOcc 0
