0 mol 0 unq 0 iso 0 dist 6.26831 5.24778 6.64713 11.8368 6.90471 9.00092 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 5.78148 4.56335 7.98679 11.9082 12.9956 7.53416 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 6.26071 8.87621 7.98679 14.8878 12.9956 7.53416 numMergedOcc 0
3 mol 13 unq 2 iso 0 dist 8.43325 12.9999 7.98679 17.267 12.9956 7.53416 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.60423 8.52463 9.36461 12.5088 13.8334 6.61696 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.60423 8.52463 9.36461 7.95042 4.47891 5.80953 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.83786 14.6654 9.36461 19.1544 13.8334 6.61696 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 7.83786 14.6654 9.36461 11.6516 4.47891 5.80953 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 4.93188 5.11617 4.90592 5.68215 8.10397 6.61696 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 4.93188 5.11617 4.90592 10.9113 9.57743 5.80953 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 4.93188 10.8238 8.16324 9.33482 5.11135 9.586 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 9.24958 13.2229 4.90592 17.003 8.10397 6.61696 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 9.24958 13.2229 4.90592 16.707 9.57743 5.80953 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 9.24958 6.7828 8.16324 7.27472 5.11135 9.586 numMergedOcc 0
14 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 13.6545 13.4114 6.7142 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 6.77886 10.0962 6.99108 15.5626 9.20886 9.54323 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 11.7132 6.0309 7.58739 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 7.27383 5.85698 6.62229 14.4498 11.5843 9.01564 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 7.27383 5.85698 6.62229 10.6166 7.05093 7.11065 numMergedOcc 0
19 mol 60 unq 0 iso 0 dist 9.96399 11.2415 4.65127 12.8147 5.71764 6.63448 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 7.55695 5.94827 4.65127 8.4312 5.71764 6.63448 numMergedOcc 0
21 mol 60 unq 2 iso 0 dist 8.82176 5.32257 4.65127 7.48086 5.71764 6.63448 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 7.04044 5.11416 6.48232 12.2276 10.9746 8.96616 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 7.04044 5.11416 6.48232 9.73086 7.8972 6.14542 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 8.73253 6.56633 6.48232 8.68662 10.9746 8.96616 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 8.73253 6.56633 6.48232 7.4369 7.8972 6.14542 numMergedOcc 0
26 mol 76 unq 0 iso 0 dist 7.27693 6.45686 9.75201 9.85905 6.48293 7.46095 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 8.00777 11.165 8.70863 15.9486 12.7386 5.05893 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 8.00777 11.165 8.70863 16.3916 14.1999 5.71866 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 7.1589 9.29301 8.70863 13.3997 12.7386 5.05893 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 7.1589 9.29301 8.70863 14.6517 14.1999 5.71866 numMergedOcc 0
31 mol 96 unq 0 iso 0 dist 5.92032 5.04559 7.3964 11.4929 11.182 9.13187 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 8.729 5.39346 9.77017 10.2348 8.59786 8.72725 numMergedOcc 0
33 mol 112 unq 1 iso 0 dist 8.729 5.39346 9.77017 9.95699 9.00531 6.11407 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 9.66543 4.935 9.0176 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 8.20836 4.57832 9.30061 7.21868 4.935 9.0176 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 6.69515 10.1386 4.46777 8.07097 5.25982 5.92302 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 6.69515 7.42649 6.94988 8.07097 5.25982 5.29898 numMergedOcc 0
38 mol 141 unq 2 iso 0 dist 7.86572 10.1432 4.46777 11.5913 5.25982 5.92302 numMergedOcc 0
39 mol 141 unq 3 iso 0 dist 7.86572 9.43674 6.94988 11.5913 5.25982 5.29898 numMergedOcc 0
40 mol 162 unq 0 iso 0 dist 8.00506 9.0783 8.21989 14.2948 11.1329 8.33407 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 9.56197 9.74148 7.46987 16.711 9.40383 9.45907 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 7.24795 7.30024 7.46987 8.73533 9.40383 9.45907 numMergedOcc 0
43 mol 186 unq 2 iso 0 dist 8.64409 11.6919 7.46987 17.684 9.40383 9.45907 numMergedOcc 0
44 mol 186 unq 3 iso 0 dist 7.60202 5.3967 7.46987 13.8845 9.40383 9.45907 numMergedOcc 0
45 mol 186 unq 4 iso 0 dist 9.83476 10.5063 4.5271 14.3269 5.40422 6.56416 numMergedOcc 0
46 mol 186 unq 5 iso 0 dist 9.83476 10.5063 4.5271 7.2793 6.38897 6.88127 numMergedOcc 0
47 mol 204 unq 0 iso 0 dist 6.85441 5.86489 5.91727 7.9133 9.54203 9.48625 numMergedOcc 0
48 mol 210 unq 0 iso 0 dist 7.63018 7.67559 6.78579 8.63693 6.75621 9.68477 numMergedOcc 0
49 mol 225 unq 0 iso 0 dist 6.6561 7.17211 8.20162 11.8802 11.6976 7.7086 numMergedOcc 0
50 mol 225 unq 1 iso 0 dist 8.87609 5.76292 9.23935 12.2719 6.05548 9.82043 numMergedOcc 0
51 mol 225 unq 2 iso 0 dist 8.87609 8.21235 7.77552 12.2719 6.05548 8.22922 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 7.83711 4.9377 6.57921 6.71524 8.03712 9.9183 numMergedOcc 0
53 mol 252 unq 0 iso 0 dist 6.86945 6.35641 7.39391 7.15764 4.34126 8.09509 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 9.56685 5.29529 8.2997 12.8334 14.9951 8.60027 numMergedOcc 0
55 mol 277 unq 0 iso 0 dist 6.57903 6.28695 7.85414 9.57499 14.6871 9.26157 numMergedOcc 0
56 mol 277 unq 1 iso 0 dist 9.65707 4.39413 7.85414 10.4733 14.6871 9.26157 numMergedOcc 0
