0 mol 1 unq 0 iso 0 dist 5.55208 9.40282 5.84337 9.35554 10.1549 13.3466 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 5.55208 9.35554 10.1549 9.40282 5.84337 13.3466 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 6.5933 9.40282 9.7992 9.35554 11.2541 13.3466 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 6.5933 9.35554 11.2541 9.40282 9.7992 13.3466 numMergedOcc 0
4 mol 1 unq 2 iso 0 dist 7.46191 9.40282 12.0014 9.35554 7.79638 13.3466 numMergedOcc 0
5 mol 1 unq 2 iso 1 dist 7.46191 9.35554 7.79638 9.40282 12.0014 13.3466 numMergedOcc 0
6 mol 18 unq 0 iso 0 dist 6.60128 8.81762 8.45128 5.32149 9.88653 7.14832 numMergedOcc 0
7 mol 18 unq 0 iso 1 dist 6.60128 5.32149 9.88653 8.81762 8.45128 7.14832 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.36315 6.84521 14.141 8.90024 16.9053 5.06502 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 9.36315 8.90024 16.9053 6.84521 14.141 5.06502 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 9.36315 6.84521 14.141 6.78532 11.5022 5.89973 numMergedOcc 0
11 mol 43 unq 1 iso 1 dist 9.36315 6.78532 11.5022 6.84521 14.141 5.89973 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 9.36315 8.90024 16.9053 6.78532 11.5022 6.45462 numMergedOcc 0
13 mol 43 unq 1 iso 1 dist 9.36315 6.78532 11.5022 8.90024 16.9053 6.45462 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 8.09741 9.25901 6.60114 7.96299 7.39819 9.36098 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 8.09741 7.96299 7.39819 9.25901 6.60114 9.36098 numMergedOcc 0
16 mol 90 unq 1 iso 0 dist 8.43532 9.25901 7.28798 7.96299 12.4809 9.36098 numMergedOcc 0
17 mol 90 unq 1 iso 1 dist 8.43532 7.96299 12.4809 9.25901 7.28798 9.36098 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 5.55005 9.23803 9.64513 8.05028 6.4683 6.94915 numMergedOcc 0
19 mol 109 unq 0 iso 1 dist 5.55005 8.05028 6.4683 9.23803 9.64513 6.94915 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 9.15244 7.9895 10.4764 6.53913 7.79718 9.36756 numMergedOcc 0
21 mol 167 unq 0 iso 1 dist 9.15244 6.53913 7.79718 7.9895 10.4764 9.36756 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 8.08948 7.9895 5.09673 6.53913 12.3929 9.36756 numMergedOcc 0
23 mol 167 unq 1 iso 1 dist 8.08948 6.53913 12.3929 7.9895 5.09673 9.36756 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.69565 6.0639 4.77798 6.91355 9.72802 6.85436 numMergedOcc 0
25 mol 186 unq 0 iso 1 dist 9.69565 6.91355 9.72802 6.0639 4.77798 6.85436 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 6.21062 8.14464 4.77967 9.93754 15.6895 16.5576 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 6.21062 9.93754 15.6895 8.14464 4.77967 16.5576 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 7.26267 8.14464 12.1867 9.93754 5.92569 16.5576 numMergedOcc 0
29 mol 225 unq 1 iso 1 dist 7.26267 9.93754 5.92569 8.14464 12.1867 16.5576 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 6.35418 9.07222 11.7774 9.09998 11.1911 5.84541 numMergedOcc 0
31 mol 236 unq 0 iso 1 dist 6.35418 9.09998 11.1911 9.07222 11.7774 5.84541 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 9.7833 9.2067 7.14483 9.16078 5.55495 5.30627 numMergedOcc 0
33 mol 258 unq 0 iso 1 dist 9.7833 9.16078 5.55495 9.2067 7.14483 5.30627 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 7.21215 6.95233 8.34545 9.61741 16.1108 13.0015 numMergedOcc 0
35 mol 266 unq 0 iso 1 dist 7.21215 9.61741 16.1108 6.95233 8.34545 13.0015 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 7.21215 6.95233 8.34545 5.61056 9.99445 7.49927 numMergedOcc 0
37 mol 266 unq 1 iso 1 dist 7.21215 5.61056 9.99445 6.95233 8.34545 7.49927 numMergedOcc 0
38 mol 266 unq 1 iso 0 dist 7.21215 9.61741 16.1108 5.61056 9.99445 7.0568 numMergedOcc 0
39 mol 266 unq 1 iso 1 dist 7.21215 5.61056 9.99445 9.61741 16.1108 7.0568 numMergedOcc 0
