0 mol 48 unq 0 iso 0 dist 7.77714 4.62339 8.96621 3.42062 9.77004 7.84827 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.77714 4.62339 8.96621 13.5492 8.36323 14.1465 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 6.46118 10.0767 8.96621 12.971 9.77004 7.84827 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 6.46118 10.0767 8.96621 4.70736 8.36323 14.1465 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 6.71884 14.1571 9.77301 9.96122 9.07741 9.17803 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 6.71884 14.1571 9.77301 5.32648 8.0388 11.7107 numMergedOcc 0
6 mol 55 unq 2 iso 0 dist 6.71884 14.1571 9.77301 12.7872 9.7883 4.98995 numMergedOcc 0
7 mol 55 unq 3 iso 0 dist 9.25575 5.96368 9.77301 13.0046 9.07741 9.17803 numMergedOcc 0
8 mol 55 unq 4 iso 0 dist 9.25575 5.96368 9.77301 14.8358 8.0388 11.7107 numMergedOcc 0
9 mol 55 unq 5 iso 0 dist 9.25575 5.96368 9.77301 9.78627 9.7883 4.98995 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 7.76044 4.92836 7.07849 6.40052 9.07614 9.15638 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 9.02174 4.65265 7.24538 9.52728 9.45247 7.32685 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 7.95205 4.53184 9.33168 3.83194 8.48433 4.21801 numMergedOcc 0
13 mol 111 unq 1 iso 0 dist 8.38367 5.25493 9.33168 7.42165 7.36025 4.58626 numMergedOcc 0
14 mol 111 unq 2 iso 0 dist 8.38367 5.25493 9.33168 7.93667 9.60251 3.78254 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.18505 7.75644 8.43088 4.88335 9.88156 11.2135 numMergedOcc 0
16 mol 136 unq 0 iso 0 dist 8.7469 12.3204 8.82556 7.8989 8.11959 4.91049 numMergedOcc 0
17 mol 165 unq 0 iso 0 dist 6.35749 5.05659 5.5411 6.65543 9.93641 9.57484 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 6.02559 5.51189 9.2569 3.71345 7.69241 8.5262 numMergedOcc 0
19 mol 176 unq 1 iso 0 dist 6.02559 5.51189 9.2569 12.3716 8.56192 11.846 numMergedOcc 0
20 mol 176 unq 2 iso 0 dist 6.02559 5.51189 9.2569 8.25138 7.77962 9.16728 numMergedOcc 0
21 mol 176 unq 3 iso 0 dist 6.02559 5.51189 9.2569 7.10617 8.6431 9.81633 numMergedOcc 0
22 mol 176 unq 4 iso 0 dist 8.12047 11.6571 9.2569 11.1744 7.69241 8.5262 numMergedOcc 0
23 mol 176 unq 5 iso 0 dist 8.12047 11.6571 9.2569 11.8836 8.56192 11.846 numMergedOcc 0
24 mol 176 unq 6 iso 0 dist 8.12047 11.6571 9.2569 3.52268 7.77962 9.16728 numMergedOcc 0
25 mol 176 unq 7 iso 0 dist 8.12047 11.6571 9.2569 7.39809 8.6431 9.81633 numMergedOcc 0
26 mol 189 unq 0 iso 0 dist 5.7583 5.47511 8.64309 5.8269 8.77758 10.8555 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.47309 5.57 5.90784 3.7422 6.04509 4.04107 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 9.20848 4.12545 6.41452 16.7711 9.8226 13.3487 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 8.42116 13.3046 6.75578 6.38688 9.95749 14.7873 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 8.42116 15.9268 9.29499 6.38688 9.95749 15.1666 numMergedOcc 0
31 mol 257 unq 2 iso 0 dist 8.53984 11.62 6.75578 5.78703 9.95749 14.7873 numMergedOcc 0
32 mol 257 unq 3 iso 0 dist 8.53984 13.4207 9.29499 5.78703 9.95749 15.1666 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 6.98729 7.97745 7.70185 7.93932 8.5948 14.45 numMergedOcc 0
