0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 10.3237 7.88043 10.2446 3.52338 7.78327 13.5229 10.6558 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 13 8.80762 12.3097 3.52338 7.78327 13.5229 13.5227 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 14.6525 8.44506 13.2876 3.30063 7.98005 12.5438 12.4814 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.7522 15.0931 8.34347 14.6525 8.44506 13.2876 8.44515 8.31381 8.39015 15.4838 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 4.81974 7.33422 6.82174 12.1387 8.04242 5.76272 9.09756 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 4.81974 7.33422 7.91778 12.1387 8.04242 8.18948 9.09756 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 4.81974 7.33422 10.121 12.1387 8.04242 14.113 9.09756 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 8.89866 7.26086 7.32662 4.48773 7.92856 8.29813 8.67903 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 8.89866 7.26086 13.4985 4.48773 7.92856 13.2057 8.67903 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 8.89866 7.26086 6.934 4.48773 7.92856 12.7473 8.67903 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 4.50572 6.88489 5.08437 7.87523 7.26086 7.32662 3.8493 7.92856 8.29813 8.67903 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 7.87523 7.26086 13.4985 3.8493 7.92856 13.2057 8.67903 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 4.50572 9.82583 6.10456 7.87523 7.26086 6.934 3.8493 7.92856 12.7473 8.67903 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 7.04864 4.5543 8.75408 4.63594 8.93905 7.27181 4.74539 6.42623 5.6295 9.23272 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 7.04864 4.5543 8.75408 4.63594 8.93905 7.27181 11.4443 8.95899 8.97962 14.3708 numMergedOcc 0
15 mol 120 unq 2 iso 0 dist 7.04864 6.81949 6.44653 4.63594 8.93905 10.5192 4.74539 6.42623 3.824 9.23272 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 7.04864 6.81949 6.44653 4.63594 8.93905 10.5192 11.4443 8.95899 4.96885 14.3708 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.99491 9.29384 9.32969 3.97269 8.80895 11.6692 9.6795 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 6.29937 8.41611 12.7056 9.81306 8.99891 9.14188 7.87644 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 6.49958 7.63338 12.8872 9.81306 8.99891 9.14188 13.5899 numMergedOcc 0
20 mol 143 unq 2 iso 0 dist 8.30654 11.3469 5.99315 6.80782 9.03707 7.76364 9.81306 8.99891 9.14188 9.13604 numMergedOcc 0
21 mol 143 unq 3 iso 0 dist 8.30654 11.3469 5.99315 5.82537 7.25673 9.23795 9.81306 8.99891 9.14188 12.6218 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 4.84709 4.55245 8.82096 6.83037 8.46327 10.2399 6.62122 9.06459 4.15355 13.3401 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 8.31676 9.66465 6.89124 9.82989 8.94786 8.57513 3.15936 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 8.91612 5.11865 6.73034 8.31676 9.66465 6.89124 10.2284 9.1927 6.0222 5.26612 numMergedOcc 0
25 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 8.31676 9.66465 6.89124 9.31054 9.60694 6.93212 13.8016 numMergedOcc 0
26 mol 253 unq 3 iso 0 dist 8.91612 5.11865 6.73034 8.31676 9.66465 6.89124 13.0515 9.27311 10.2118 16.4545 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 9.73983 4.49913 8.45658 3.67304 8.60026 6.04016 10.4014 8.24356 11.4108 11.1232 numMergedOcc 0
