0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 5.94084 5.47769 6.58035 12.1189 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.46498 7.63133 5.32694 8.71745 5.74188 10.4155 5.94084 6.58035 5.47769 12.1189 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.46498 8.71745 5.74188 7.63133 5.32694 10.4155 6.73355 8.41862 8.16785 13.0191 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 8.71745 5.46498 5.74188 7.63133 10.4155 5.32694 6.73355 8.16785 8.41862 13.0191 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.20519 6.864 7.07775 4.54938 7.34551 5.80928 5.5841 9.80108 8.58657 9.58539 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 5.5841 8.58657 9.80108 9.58539 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.14627 6.20943 7.82528 10.2708 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.14627 7.82528 6.20943 10.2708 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 6.55187 8.23643 8.73972 14.6255 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 7.82074 4.54938 5.03957 8.4674 10.3915 7.67038 6.55187 8.73972 8.23643 14.6255 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.32874 9.55426 5.90225 6.81627 5.47421 9.7274 6.75888 6.40841 6.31428 10.335 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 9.55426 7.32874 5.90225 6.81627 9.7274 5.47421 6.75888 6.31428 6.40841 10.335 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 6.62496 5.30792 4.81926 6.47744 8.63333 8.89374 11.5023 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 6.35756 6.86465 5.35073 6.62496 4.81926 5.30792 6.47744 8.89374 8.63333 11.5023 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 7.41074 8.70133 4.65521 15.9587 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 7.41074 4.65521 8.70133 15.9587 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 11.6116 9.47876 7.22293 13.6587 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 11.6116 7.22293 9.47876 13.6587 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 4.91401 6.62561 7.63616 10.6107 numMergedOcc 0
19 mol 117 unq 0 iso 1 dist 7.83136 7.90328 7.22206 7.0603 7.21564 9.3584 4.91401 7.63616 6.62561 10.6107 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 8.40312 5.55373 10.7062 6.19596 8.6243 6.91348 12.5969 numMergedOcc 0
21 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 6.19596 6.91348 8.6243 12.5969 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 5.41704 8.79571 5.42582 8.6355 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 5.41704 5.42582 8.79571 8.6355 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 5.41704 8.79571 8.6355 5.42582 numMergedOcc 0
25 mol 134 unq 1 iso 1 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.41704 8.6355 8.79571 5.42582 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 5.41704 5.42582 8.6355 8.79571 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 5.41704 8.6355 5.42582 8.79571 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 7.44554 9.83699 8.38403 8.94056 5.56175 11.2719 6.29785 9.36805 7.55203 13.1853 numMergedOcc 0
29 mol 156 unq 0 iso 1 dist 9.83699 7.44554 8.38403 8.94056 11.2719 5.56175 6.29785 7.55203 9.36805 13.1853 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 8.95269 6.57273 4.70378 5.78342 11.5372 8.49799 5.29877 6.67585 6.65984 10.667 numMergedOcc 0
31 mol 224 unq 0 iso 1 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.29877 6.65984 6.67585 10.667 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 6.43754 8.17891 6.95902 12.4085 numMergedOcc 0
33 mol 227 unq 0 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 6.43754 6.95902 8.17891 12.4085 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 6.43754 8.17891 6.95902 11.004 numMergedOcc 0
35 mol 227 unq 1 iso 1 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 6.43754 6.95902 8.17891 11.004 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 6.43754 8.17891 6.95902 12.8864 numMergedOcc 0
37 mol 227 unq 2 iso 1 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 6.43754 6.95902 8.17891 12.8864 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 8.04483 6.33524 5.39891 8.76532 10.0156 4.66602 6.3384 6.85028 7.32347 10.4802 numMergedOcc 0
39 mol 282 unq 0 iso 1 dist 6.33524 8.04483 5.39891 8.76532 4.66602 10.0156 6.3384 7.32347 6.85028 10.4802 numMergedOcc 0
