0 mol 1 unq 0 iso 0 dist 8.93851 9.40282 9.98089 9.35554 15.6106 13.3466 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 8.93851 9.35554 15.6106 9.40282 9.98089 13.3466 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 8.85912 6.99793 11.1664 6.71345 4.77991 11.6284 numMergedOcc 0
3 mol 114 unq 0 iso 1 dist 8.85912 6.71345 4.77991 6.99793 11.1664 11.6284 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.58727 8.66715 5.34829 9.00172 9.67676 8.18495 numMergedOcc 0
5 mol 133 unq 0 iso 1 dist 8.58727 9.00172 9.67676 8.66715 5.34829 8.18495 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.61597 8.66715 13.3831 9.00172 9.74121 8.18495 numMergedOcc 0
7 mol 133 unq 1 iso 1 dist 8.61597 9.00172 9.74121 8.66715 13.3831 8.18495 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.11189 8.31276 14.5913 5.79157 11.9734 11.6064 numMergedOcc 0
9 mol 134 unq 0 iso 1 dist 8.11189 5.79157 11.9734 8.31276 14.5913 11.6064 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.11189 8.31276 14.5913 5.50687 5.57177 13.7309 numMergedOcc 0
11 mol 134 unq 1 iso 1 dist 8.11189 5.50687 5.57177 8.31276 14.5913 13.7309 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 8.11189 8.31276 14.5913 7.30919 10.8108 14.069 numMergedOcc 0
13 mol 134 unq 2 iso 1 dist 8.11189 7.30919 10.8108 8.31276 14.5913 14.069 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.11189 5.79157 11.9734 5.50687 5.57177 7.09823 numMergedOcc 0
15 mol 134 unq 1 iso 1 dist 8.11189 5.50687 5.57177 5.79157 11.9734 7.09823 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 8.11189 5.79157 11.9734 7.30919 10.8108 8.25185 numMergedOcc 0
17 mol 134 unq 2 iso 1 dist 8.11189 7.30919 10.8108 5.79157 11.9734 8.25185 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 8.11189 5.50687 5.57177 7.30919 10.8108 6.90348 numMergedOcc 0
19 mol 134 unq 2 iso 1 dist 8.11189 7.30919 10.8108 5.50687 5.57177 6.90348 numMergedOcc 0
20 mol 172 unq 0 iso 0 dist 8.87108 7.63635 5.62946 9.94649 8.80037 10.4836 numMergedOcc 0
21 mol 172 unq 0 iso 1 dist 8.87108 9.94649 8.80037 7.63635 5.62946 10.4836 numMergedOcc 0
22 mol 172 unq 1 iso 0 dist 6.16303 7.63635 9.23387 9.94649 8.10512 10.4836 numMergedOcc 0
23 mol 172 unq 1 iso 1 dist 6.16303 9.94649 8.10512 7.63635 9.23387 10.4836 numMergedOcc 0
24 mol 172 unq 2 iso 0 dist 9.4868 7.63635 9.71293 9.94649 13.2121 10.4836 numMergedOcc 0
25 mol 172 unq 2 iso 1 dist 9.4868 9.94649 13.2121 7.63635 9.71293 10.4836 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 7.95458 5.82039 4.1887 6.22964 10.2285 7.08143 numMergedOcc 0
27 mol 206 unq 0 iso 1 dist 7.95458 6.22964 10.2285 5.82039 4.1887 7.08143 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 7.197 6.32302 5.88282 6.88694 10.3429 5.57838 numMergedOcc 0
29 mol 229 unq 0 iso 1 dist 7.197 6.88694 10.3429 6.32302 5.88282 5.57838 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 5.36183 7.79723 5.59015 8.14526 4.77325 5.01979 numMergedOcc 0
31 mol 249 unq 0 iso 1 dist 5.36183 8.14526 4.77325 7.79723 5.59015 5.01979 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 9.17075 6.95233 11.9164 9.61741 17.5279 13.0015 numMergedOcc 0
33 mol 266 unq 0 iso 1 dist 9.17075 9.61741 17.5279 6.95233 11.9164 13.0015 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.17075 6.95233 11.9164 5.61056 14.6838 7.49927 numMergedOcc 0
35 mol 266 unq 1 iso 1 dist 9.17075 5.61056 14.6838 6.95233 11.9164 7.49927 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 9.17075 9.61741 17.5279 5.61056 14.6838 7.0568 numMergedOcc 0
37 mol 266 unq 1 iso 1 dist 9.17075 5.61056 14.6838 9.61741 17.5279 7.0568 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 8.43383 9.98268 7.26724 6.83147 5.44847 5.87439 numMergedOcc 0
39 mol 284 unq 0 iso 1 dist 8.43383 6.83147 5.44847 9.98268 7.26724 5.87439 numMergedOcc 0
40 mol 284 unq 1 iso 0 dist 8.43383 9.98268 7.26724 7.43241 13.8726 17.2899 numMergedOcc 0
41 mol 284 unq 1 iso 1 dist 8.43383 7.43241 13.8726 9.98268 7.26724 17.2899 numMergedOcc 0
42 mol 284 unq 1 iso 0 dist 8.43383 6.83147 5.44847 7.43241 13.8726 13.5089 numMergedOcc 0
43 mol 284 unq 1 iso 1 dist 8.43383 7.43241 13.8726 6.83147 5.44847 13.5089 numMergedOcc 0
44 mol 284 unq 2 iso 0 dist 8.89995 9.98268 10.0891 6.83147 4.76222 5.87439 numMergedOcc 0
45 mol 284 unq 2 iso 1 dist 8.89995 6.83147 4.76222 9.98268 10.0891 5.87439 numMergedOcc 0
46 mol 284 unq 3 iso 0 dist 8.89995 9.98268 10.0891 7.43241 13.4636 17.2899 numMergedOcc 0
47 mol 284 unq 3 iso 1 dist 8.89995 7.43241 13.4636 9.98268 10.0891 17.2899 numMergedOcc 0
48 mol 284 unq 3 iso 0 dist 8.89995 6.83147 4.76222 7.43241 13.4636 13.5089 numMergedOcc 0
49 mol 284 unq 3 iso 1 dist 8.89995 7.43241 13.4636 6.83147 4.76222 13.5089 numMergedOcc 0
