0 mol 21 unq 0 iso 0 dist 9.19322 7.31253 10.4247 6.3338 14.2848 9.23319 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.66461 7.77714 5.82846 3.42062 12.6509 9.77004 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.66461 7.77714 5.82846 13.5492 12.303 8.36323 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.81136 6.46118 5.82846 12.971 12.6509 9.77004 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.81136 6.46118 5.82846 4.70736 12.303 8.36323 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.12873 9.97224 5.23555 3.30756 7.93498 9.2934 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.43893 6.22956 5.73441 3.51784 11.6944 7.22914 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.43893 6.22956 5.73441 8.5469 14.0627 8.66795 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.01608 8.38367 6.75301 7.42165 11.9106 7.36025 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 9.01608 8.38367 6.75301 7.93667 14.4676 9.60251 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.89564 6.77889 4.1643 5.906 7.75833 6.94015 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.13344 9.18505 5.16554 4.88335 6.67937 9.88156 numMergedOcc 0
12 mol 136 unq 0 iso 0 dist 5.00698 8.7469 12.9876 7.8989 12.7237 8.11959 numMergedOcc 0
13 mol 136 unq 1 iso 0 dist 8.99371 8.7469 10.8346 7.8989 10.4569 8.11959 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 9.24242 6.02559 5.22451 3.71345 8.79752 7.69241 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 9.24242 6.02559 5.22451 12.3716 12.4032 8.56192 numMergedOcc 0
16 mol 176 unq 2 iso 0 dist 9.24242 6.02559 5.22451 8.25138 7.29985 7.77962 numMergedOcc 0
17 mol 176 unq 3 iso 0 dist 9.24242 6.02559 5.22451 7.10617 7.58281 8.6431 numMergedOcc 0
18 mol 176 unq 4 iso 0 dist 6.74185 8.12047 5.22451 11.1744 8.79752 7.69241 numMergedOcc 0
19 mol 176 unq 5 iso 0 dist 6.74185 8.12047 5.22451 11.8836 12.4032 8.56192 numMergedOcc 0
20 mol 176 unq 6 iso 0 dist 6.74185 8.12047 5.22451 3.52268 7.29985 7.77962 numMergedOcc 0
21 mol 176 unq 7 iso 0 dist 6.74185 8.12047 5.22451 7.39809 7.58281 8.6431 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 9.83904 5.34832 6.71483 10.8625 15.2705 8.98606 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.72113 9.26913 4.96821 4.90099 5.97886 6.92364 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 9.99396 9.47309 14.7487 3.7422 10.0566 6.04509 numMergedOcc 0
25 mol 251 unq 0 iso 0 dist 7.73217 5.63943 7.92068 3.46172 8.15014 6.63516 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.70632 7.87939 15.9394 5.36106 14.0055 9.92035 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 9.04355 7.78656 4.38561 4.12505 9.31611 9.7875 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 8.50508 7.78656 10.9625 4.12505 6.25845 9.7875 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 9.04355 7.78656 4.38561 4.12505 9.31611 9.7875 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 8.50508 7.78656 10.9625 4.12505 6.25845 9.7875 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 9.04355 7.78656 4.38561 4.12505 9.31611 9.7875 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 8.50508 7.78656 10.9625 4.12505 6.25845 9.7875 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 6.91689 9.83077 6.01509 13.986 11.4838 7.89784 numMergedOcc 0
