0 mol 11 unq 0 iso 0 dist 9.09091 3.66215 9.81983 5.43238 7.5901 4.79838 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.33027 3.85603 8.0991 11.4795 6.45654 9.25424 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.33027 7.03719 9.95093 11.4795 6.45654 7.69101 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 9.33027 7.03719 9.95093 13.2701 7.35043 9.57665 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 8.2946 4.42374 8.0991 7.71914 6.45654 9.25424 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 8.2946 3.69607 9.95093 7.71914 6.45654 7.69101 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 8.2946 3.69607 9.95093 10.583 7.35043 9.57665 numMergedOcc 0
7 mol 34 unq 6 iso 0 dist 7.32707 3.85603 8.80175 11.4795 11.9626 9.25424 numMergedOcc 0
8 mol 34 unq 7 iso 0 dist 9.25346 4.42374 8.80175 7.71914 11.9626 9.25424 numMergedOcc 0
9 mol 34 unq 8 iso 0 dist 7.90574 3.85603 8.61637 11.4795 14.7283 9.25424 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 7.34031 4.28224 7.11491 9.54797 12.9941 7.16443 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 8.58829 12.2529 8.56365 9.76285 4.40229 4.53565 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 8.58829 5.98272 7.47783 9.76285 4.40229 8.53722 numMergedOcc 0
13 mol 48 unq 3 iso 0 dist 8.58829 7.83821 8.74151 9.76285 4.40229 6.15814 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 8.58829 5.51708 8.69662 9.76285 4.40229 7.70284 numMergedOcc 0
15 mol 48 unq 5 iso 0 dist 7.281 4.12075 7.1829 9.76285 13.0328 7.08628 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 7.6481 10.5052 6.41008 15.9804 8.88332 8.98478 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 9.11258 4.43437 6.41008 7.01363 8.88332 8.98478 numMergedOcc 0
18 mol 61 unq 0 iso 0 dist 7.46994 10.3452 9.83914 11.022 5.11693 9.40835 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 9.63599 12.7451 7.56495 14.0061 4.52595 7.90338 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 9.63599 13.0682 7.63923 14.0061 4.52595 7.08462 numMergedOcc 0
21 mol 79 unq 2 iso 0 dist 5.9249 4.39784 5.79139 9.15469 4.94373 7.08462 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 7.87237 8.42733 8.33791 14.0061 7.82761 9.11491 numMergedOcc 0
23 mol 79 unq 4 iso 0 dist 7.87237 4.89844 7.38548 9.15469 8.45612 5.82384 numMergedOcc 0
24 mol 79 unq 5 iso 0 dist 7.87237 4.89844 7.38548 9.86441 4.58851 7.15907 numMergedOcc 0
25 mol 79 unq 6 iso 0 dist 8.01743 7.82927 7.56495 9.86441 4.52595 7.90338 numMergedOcc 0
26 mol 79 unq 7 iso 0 dist 8.01743 5.01567 7.63923 9.86441 4.52595 7.08462 numMergedOcc 0
27 mol 135 unq 0 iso 0 dist 9.15377 12.1938 7.02963 16.9682 11.52 9.94534 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 9.19117 6.54263 4.51777 6.74517 8.00091 7.6077 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 6.26365 3.63393 4.51777 10.6794 8.00091 7.6077 numMergedOcc 0
30 mol 175 unq 2 iso 0 dist 7.04177 3.63393 4.9606 10.6794 9.86823 7.6077 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 5.95304 10.4087 9.20617 9.40622 6.03415 7.61421 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 7.69296 11.4548 8.41013 13.7654 10.8576 7.72298 numMergedOcc 0
33 mol 250 unq 0 iso 0 dist 6.28538 3.70231 9.25035 8.86638 7.73342 8.73744 numMergedOcc 0
34 mol 250 unq 1 iso 0 dist 6.28538 3.70231 9.25035 5.94383 5.66455 6.61917 numMergedOcc 0
35 mol 254 unq 0 iso 0 dist 8.94909 5.67608 9.50951 6.03988 6.6011 6.12653 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 6.43034 6.50127 6.23115 11.3339 5.7252 8.13595 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 7.36811 9.63038 9.01437 12.4738 11.177 6.25334 numMergedOcc 0
