0 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 8.70141 4.33963 4.93188 12.1061 8.4051 5.11617 4.90592 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 8.70141 4.33963 4.93188 6.81998 8.75662 10.8238 8.16324 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 8.70141 4.33963 9.24958 12.1061 8.4051 13.2229 4.90592 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 8.70141 4.33963 9.24958 6.81998 8.75662 6.7828 8.16324 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.11056 10.4744 8.86116 10.9853 5.97304 6.60423 14.5388 12.9284 4.32034 9.69752 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.11056 10.4744 8.86116 10.9853 5.97304 6.60423 11.095 8.60554 8.52463 9.36461 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.88695 5.3315 8.34347 13.1078 13.2876 8.44506 16.0656 18.1487 10.9837 9.5053 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 11.4371 5.08358 8.00777 17.6093 12.0078 11.165 8.70863 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 11.4371 5.08358 7.1589 17.6093 12.0078 9.29301 8.70863 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 11.0268 7.88312 11.1443 7.21418 5.74857 13.9604 12.13 5.22052 8.85881 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 9.15988 3.78311 7.77116 4.01593 6.52773 7.20179 8.8562 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 5.63005 10.5268 8.73993 9.15988 3.78311 7.77116 13.1254 9.23858 9.89358 7.91683 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 11.14 6.67948 8.03372 7.03404 6.28565 4.55551 9.94578 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 10.1423 5.89022 8.86329 12.0595 11.8327 10.3369 8.92828 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 6.31125 5.6098 8.40312 10.1423 5.89022 8.86329 11.127 9.90168 7.7567 5.56627 numMergedOcc 0
15 mol 131 unq 2 iso 0 dist 6.31125 4.29914 7.12972 10.1423 5.89022 8.71039 12.0595 11.8327 7.92788 8.92828 numMergedOcc 0
16 mol 131 unq 3 iso 0 dist 6.31125 4.29914 7.12972 10.1423 5.89022 8.71039 11.127 9.90168 8.23791 5.56627 numMergedOcc 0
17 mol 131 unq 4 iso 0 dist 6.31125 4.29914 7.12972 10.5132 9.32969 6.92648 12.0595 11.8327 7.92788 5.44303 numMergedOcc 0
18 mol 131 unq 5 iso 0 dist 6.31125 4.29914 7.12972 10.5132 9.32969 6.92648 11.127 9.90168 8.23791 8.50562 numMergedOcc 0
19 mol 131 unq 6 iso 0 dist 6.31125 5.59449 6.85062 10.5132 9.32969 9.29384 12.0595 11.8327 13.1439 5.44303 numMergedOcc 0
20 mol 131 unq 7 iso 0 dist 6.31125 5.59449 6.85062 10.5132 9.32969 9.29384 11.127 9.90168 13.7237 8.50562 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 10.6084 5.28092 8.44861 12.8802 9.53629 13.0658 9.17946 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 10.6084 5.28092 5.60393 12.8802 9.53629 14.4523 9.17946 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 10.1474 8.25884 7.83711 6.36084 9.40808 4.9377 6.57921 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 5.73834 6.48867 6.60405 11.329 7.42673 6.70815 16.8966 15.8417 10.8558 9.91199 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 11.329 7.42673 7.99477 16.8966 15.8417 13.2927 9.91199 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 9.96394 11.5918 8.33638 16.9819 8.7909 8.46061 17.7875 13.0773 6.32008 9.18635 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 7.65671 5.90436 9.56685 4.36131 8.52587 5.29529 8.2997 numMergedOcc 0
