0 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 4.97119 10.741 6.39966 4.54938 7.34551 5.18512 6.41575 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.20519 6.92532 12.3486 4.97119 10.741 6.39966 6.864 7.07775 9.47529 6.41423 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 6.92532 5.18512 4.97119 6.41575 6.39966 6.864 5.80928 9.47529 6.41423 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 7.82074 6.36455 5.18512 6.01808 6.41575 6.39966 11.0366 5.80928 9.47529 6.41423 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 6.864 6.92532 9.47529 4.97119 6.41423 6.39966 4.54938 5.80928 5.18512 6.41575 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 15.5324 15.5315 17.4067 8.4051 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 8.86116 10.0952 5.97304 8.60554 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 4.32034 12.9284 9.69752 6.86014 10.0952 6.00575 7.33768 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 15.5324 14.6259 17.4067 8.4051 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 6.86014 10.0952 6.00575 7.29868 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 11.0194 15.5315 12.0003 7.29868 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 13.2433 14.6259 11.2106 8.60554 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 5.54419 4.93188 4.33963 10.8238 8.75662 8.16324 13.2433 14.6259 11.2106 9.44691 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 20.3888 15.5315 12.0003 7.29868 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 15.5296 14.6259 11.2106 8.60554 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 7.36323 9.24958 4.33963 6.7828 8.75662 8.16324 15.5296 14.6259 11.2106 9.44691 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 5.85698 9.86039 6.62229 10.3224 9.94737 10.4524 8.80614 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.11416 13.8696 6.48232 9.96396 15.7123 8.26458 9.24757 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 9.75218 7.04044 8.35241 5.11416 13.0145 6.48232 9.96396 12.016 8.26458 9.24757 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 11.165 12.0078 8.70863 11.3023 5.42586 6.37974 9.82915 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 9.29301 12.0078 8.70863 7.97049 5.42586 6.37974 9.82915 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 6.10456 8.40073 6.934 4.47349 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 10.1136 10.2427 7.17433 5.65185 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 6.48948 7.26086 13.4985 7.06961 9.42961 8.43352 5.08437 9.51923 7.32662 6.7117 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 6.48948 7.26086 13.4985 7.06961 9.42961 8.43352 6.10456 9.42358 6.934 4.47349 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 6.48948 7.26086 13.4985 7.06961 9.42961 8.43352 10.1136 13.9786 7.17433 5.65185 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 5.08437 8.40073 7.32662 6.7117 numMergedOcc 0
27 mol 98 unq 6 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 10.1136 5.02887 7.17433 5.65185 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 7.20179 6.52773 8.8562 10.3704 4.85907 4.99056 9.11344 numMergedOcc 0
29 mol 126 unq 0 iso 0 dist 6.06638 9.46588 5.5703 8.01268 10.0699 8.56219 12.1603 12.1412 9.71711 6.29233 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 11.9139 5.00526 13.1292 7.69991 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 9.86662 6.81259 5.12325 9.94764 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 11.9139 11.3271 13.1292 7.69991 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 8.94367 6.81259 9.4027 6.23142 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 8.34702 5.38091 10.7023 5.81563 13.0658 7.46845 11.6719 13.7169 12.962 9.00416 numMergedOcc 0
35 mol 156 unq 1 iso 0 dist 9.06726 5.38091 9.00862 5.81563 11.5017 7.46845 11.6719 9.93262 12.962 9.00416 numMergedOcc 0
36 mol 156 unq 2 iso 0 dist 8.33171 5.38091 11.1271 5.81563 10.0063 7.46845 11.6719 7.53284 12.962 9.00416 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 11.8693 17.6416 5.89564 18.431 20.1555 11.3554 9.77896 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 5.6044 14.2254 7.11785 5.98885 8.88798 5.93488 9.72611 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 9.15386 6.51749 7.64267 5.6044 10.428 7.11785 5.98885 5.16002 5.93488 9.72611 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 7.10633 6.85441 8.17229 5.86489 11.5776 5.91727 8.51516 10.8344 5.74707 7.32294 numMergedOcc 0
41 mol 220 unq 0 iso 0 dist 8.24498 5.45036 10.4136 7.11498 13.1498 5.37796 9.23153 10.5449 6.17628 6.59716 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 10.5803 6.56633 5.8023 8.50102 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 11.3168 11.3308 10.4342 6.39866 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 8.49997 9.56685 12.106 5.29529 11.6126 8.2997 7.56915 6.33073 5.90436 8.52587 numMergedOcc 0
45 mol 274 unq 2 iso 0 dist 8.49997 9.56685 12.106 5.29529 11.6126 8.2997 11.3168 14.9562 10.4342 6.39866 numMergedOcc 0
