0 mol 19 unq 0 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.18512 6.92532 6.36455 6.39966 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 5.18512 6.36455 6.92532 6.39966 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.33963 4.93188 9.24958 4.90592 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 4.33963 9.24958 4.93188 4.90592 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 4.33963 4.93188 9.24958 9.32328 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 4.33963 9.24958 4.93188 9.32328 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 4.33963 4.93188 9.24958 8.16324 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 4.33963 9.24958 4.93188 8.16324 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 8.95682 6.18002 8.38399 9.06158 9.93832 8.60739 14.2655 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 6.20293 8.80331 8.13395 8.95682 8.38399 6.18002 9.06158 8.60739 9.93832 14.2655 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 8.26458 7.04044 8.73253 6.48232 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 8.26458 8.73253 7.04044 6.48232 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.54568 10.2865 8.09967 5.08358 8.00777 7.1589 12.1999 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.54568 8.09967 10.2865 5.08358 7.1589 8.00777 12.1999 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 9.90168 7.7567 8.23791 5.89022 8.86329 8.71039 5.56627 numMergedOcc 0
15 mol 131 unq 0 iso 1 dist 7.12972 8.40312 5.55373 9.90168 8.23791 7.7567 5.89022 8.71039 8.86329 5.56627 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 7.12972 6.85062 6.63273 9.90168 8.23791 13.7237 9.32969 6.92648 9.29384 8.50562 numMergedOcc 0
17 mol 131 unq 1 iso 1 dist 6.85062 7.12972 6.63273 9.90168 13.7237 8.23791 9.32969 9.29384 6.92648 8.50562 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.30357 10.4977 12.3086 5.82636 6.2319 9.97732 10.6589 numMergedOcc 0
19 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.30357 12.3086 10.4977 5.82636 9.97732 6.2319 10.6589 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 8.61587 12.4274 10.9151 5.82636 6.2319 9.97732 13.5954 numMergedOcc 0
21 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 8.61587 10.9151 12.4274 5.82636 9.97732 6.2319 13.5954 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 9.72611 5.6044 12.9468 5.93488 6.51749 7.20392 7.11785 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 9.09537 5.98885 10.1912 9.72611 12.9468 5.6044 5.93488 7.20392 6.51749 7.11785 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 5.93488 6.51749 7.20392 10.8541 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 5.93488 7.20392 6.51749 10.8541 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 6.03688 8.15057 12.4957 5.28092 8.44861 5.60393 11.2584 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 7.26832 6.03031 7.38516 6.03688 12.4957 8.15057 5.28092 5.60393 8.44861 11.2584 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 11.0628 8.38865 5.4694 14.3567 numMergedOcc 0
29 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 11.0628 5.4694 8.38865 14.3567 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 11.0628 8.38865 5.4694 12.135 numMergedOcc 0
31 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 11.0628 5.4694 8.38865 12.135 numMergedOcc 0
