0 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 12.6611 5.11617 4.93188 14.959 8.4051 4.33963 5.54419 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.6642 4.90592 18.5238 13.2229 9.24958 14.959 8.4051 4.33963 7.36323 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 8.81498 9.36461 12.9306 8.52463 6.60423 7.79468 7.29868 6.00575 6.86014 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.3964 8.81498 9.36461 12.9306 8.52463 6.60423 9.85198 8.60554 5.97304 8.86116 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 16.0085 10.9837 8.44506 20.1085 18.1487 13.2876 8.34347 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.66506 5.67493 6.48232 5.79954 5.11416 7.04044 12.8388 9.24757 8.26458 9.96396 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.66506 5.67493 6.48232 5.79954 5.11416 7.04044 9.65653 13.0145 8.35241 9.75218 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.66506 5.67493 6.48232 5.79954 5.11416 7.04044 14.1415 13.8696 15.7304 9.38498 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 6.66506 5.67493 6.48232 10.4766 6.56633 8.73253 12.8388 9.24757 8.26458 6.19304 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 17.8488 11.165 8.00777 14.4957 12.0078 5.08358 7.95579 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.18097 11.155 8.70863 15.5717 9.29301 7.1589 10.5346 9.82915 6.37974 7.97049 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 9.18097 11.155 8.70863 15.5717 9.29301 7.1589 14.4957 12.0078 5.08358 6.19965 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 8.83135 15.3247 8.70863 14.3036 11.165 8.00777 18.8965 12.0078 5.08358 7.95579 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 8.83135 15.3247 8.70863 14.5836 9.29301 7.1589 18.2314 9.82915 6.37974 7.97049 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 8.83135 15.3247 8.70863 14.5836 9.29301 7.1589 18.8965 12.0078 5.08358 6.19965 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 4.86767 8.16908 9.35942 13.4572 12.7083 6.34525 19.2267 19.2926 11.128 7.5732 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.12854 12.2787 8.85881 12.1755 5.22052 5.74857 16.9857 11.0224 6.08806 6.11741 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 8.12854 12.2787 8.85881 12.1755 5.22052 5.74857 17.0079 12.13 7.21418 7.88312 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 8.64019 6.87987 6.03352 10.3269 8.2619 8.93905 8.83592 11.9051 7.27181 8.75408 numMergedOcc 0
19 mol 120 unq 1 iso 0 dist 8.64019 6.87987 6.03352 10.3269 8.2619 8.93905 11.4993 13.082 10.5192 6.44653 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 8.79832 10.1424 5.89564 17.2323 11.8693 7.35824 21.4951 17.6416 12.5754 9.29945 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 8.82861 12.0796 5.91727 7.7292 5.86489 6.85441 13.4646 11.5776 8.17229 7.10633 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 8.82861 12.0796 5.91727 7.7292 5.86489 6.85441 9.54287 7.32294 5.74707 8.51516 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.23057 11.501 9.17946 17.993 13.0658 8.44861 13.7273 9.53629 5.28092 6.03031 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 6.23057 11.501 9.17946 17.0692 14.4523 5.60393 13.7273 9.53629 5.28092 7.26832 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 7.46122 5.41948 5.37796 8.9077 7.11498 5.45036 10.6943 6.59716 6.17628 9.23153 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 7.46122 5.41948 5.37796 8.9077 7.11498 5.45036 15.396 13.1498 10.4136 8.24498 numMergedOcc 0
27 mol 230 unq 0 iso 0 dist 8.85051 5.02022 6.34832 8.33847 5.0515 6.41286 7.37154 10.3657 6.20661 6.7547 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 8.27761 5.68442 6.57921 10.8093 4.9377 7.83711 13.7819 9.40808 8.25884 8.27212 numMergedOcc 0
29 mol 253 unq 0 iso 0 dist 9.29788 4.60689 8.15091 8.53729 5.78064 7.77998 16.1265 13.07 13.6942 9.02271 numMergedOcc 0
30 mol 253 unq 1 iso 0 dist 9.50983 9.18036 8.15091 8.07341 5.78064 7.77998 16.581 13.07 13.6942 9.02271 numMergedOcc 0
