0 mol 27 unq 0 iso 0 dist 7.45989 5.23976 8.3189 4.40894 5.02965 5.7372 numMergedOcc 0
1 mol 27 unq 0 iso 1 dist 7.45989 4.40894 5.02965 5.23976 8.3189 5.7372 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.45989 5.23976 8.3189 7.69828 7.49305 4.59871 numMergedOcc 0
3 mol 27 unq 1 iso 1 dist 7.45989 7.69828 7.49305 5.23976 8.3189 4.59871 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.45989 4.40894 5.02965 7.69828 7.49305 4.9754 numMergedOcc 0
5 mol 27 unq 1 iso 1 dist 7.45989 7.69828 7.49305 4.40894 5.02965 4.9754 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.6738 12.0115 9.43487 13.077 9.97052 8.76937 numMergedOcc 0
7 mol 113 unq 0 iso 1 dist 5.6738 13.077 9.97052 12.0115 9.43487 8.76937 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 5.6738 12.0115 9.43487 12.0928 7.3324 14.4973 numMergedOcc 0
9 mol 113 unq 1 iso 1 dist 5.6738 12.0928 7.3324 12.0115 9.43487 14.4973 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 5.6738 13.077 9.97052 12.0928 7.3324 13.7958 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 5.6738 12.0928 7.3324 13.077 9.97052 13.7958 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.17864 9.43335 6.84082 9.71207 8.66256 3.69443 numMergedOcc 0
13 mol 120 unq 0 iso 1 dist 9.17864 9.71207 8.66256 9.43335 6.84082 3.69443 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 9.17864 9.43335 6.84082 12.1938 8.08194 5.43508 numMergedOcc 0
15 mol 120 unq 1 iso 1 dist 9.17864 12.1938 8.08194 9.43335 6.84082 5.43508 numMergedOcc 0
16 mol 120 unq 2 iso 0 dist 9.17864 9.43335 6.84082 16.9923 9.89622 8.26382 numMergedOcc 0
17 mol 120 unq 2 iso 1 dist 9.17864 16.9923 9.89622 9.43335 6.84082 8.26382 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 9.17864 9.71207 8.66256 12.1938 8.08194 9.0891 numMergedOcc 0
19 mol 120 unq 1 iso 1 dist 9.17864 12.1938 8.08194 9.71207 8.66256 9.0891 numMergedOcc 0
20 mol 120 unq 2 iso 0 dist 9.17864 9.71207 8.66256 16.9923 9.89622 9.79343 numMergedOcc 0
21 mol 120 unq 2 iso 1 dist 9.17864 16.9923 9.89622 9.71207 8.66256 9.79343 numMergedOcc 0
22 mol 120 unq 2 iso 0 dist 9.17864 12.1938 8.08194 16.9923 9.89622 8.22472 numMergedOcc 0
23 mol 120 unq 2 iso 1 dist 9.17864 16.9923 9.89622 12.1938 8.08194 8.22472 numMergedOcc 0
24 mol 120 unq 3 iso 0 dist 9.39373 6.90523 6.84082 4.81408 8.66256 3.69443 numMergedOcc 0
25 mol 120 unq 3 iso 1 dist 9.39373 4.81408 8.66256 6.90523 6.84082 3.69443 numMergedOcc 0
26 mol 120 unq 4 iso 0 dist 9.39373 6.90523 6.84082 11.8812 8.08194 5.43508 numMergedOcc 0
27 mol 120 unq 4 iso 1 dist 9.39373 11.8812 8.08194 6.90523 6.84082 5.43508 numMergedOcc 0
28 mol 120 unq 5 iso 0 dist 9.39373 6.90523 6.84082 14.0826 9.89622 8.26382 numMergedOcc 0
29 mol 120 unq 5 iso 1 dist 9.39373 14.0826 9.89622 6.90523 6.84082 8.26382 numMergedOcc 0
30 mol 120 unq 4 iso 0 dist 9.39373 4.81408 8.66256 11.8812 8.08194 9.0891 numMergedOcc 0
31 mol 120 unq 4 iso 1 dist 9.39373 11.8812 8.08194 4.81408 8.66256 9.0891 numMergedOcc 0
32 mol 120 unq 5 iso 0 dist 9.39373 4.81408 8.66256 14.0826 9.89622 9.79343 numMergedOcc 0
33 mol 120 unq 5 iso 1 dist 9.39373 14.0826 9.89622 4.81408 8.66256 9.79343 numMergedOcc 0
34 mol 120 unq 5 iso 0 dist 9.39373 11.8812 8.08194 14.0826 9.89622 8.22472 numMergedOcc 0
35 mol 120 unq 5 iso 1 dist 9.39373 14.0826 9.89622 11.8812 8.08194 8.22472 numMergedOcc 0
36 mol 125 unq 0 iso 0 dist 7.7203 13.1097 9.87276 4.18521 9.97204 12.053 numMergedOcc 0
37 mol 125 unq 0 iso 1 dist 7.7203 4.18521 9.97204 13.1097 9.87276 12.053 numMergedOcc 0
38 mol 219 unq 0 iso 0 dist 9.72263 9.58042 8.15287 12.8131 8.72341 16.2337 numMergedOcc 0
39 mol 219 unq 0 iso 1 dist 9.72263 12.8131 8.72341 9.58042 8.15287 16.2337 numMergedOcc 0
40 mol 219 unq 1 iso 0 dist 9.65487 13.0508 8.15287 10.1996 8.72341 16.2337 numMergedOcc 0
41 mol 219 unq 1 iso 1 dist 9.65487 10.1996 8.72341 13.0508 8.15287 16.2337 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 8.93788 10.204 7.01175 13.1038 7.50074 6.47501 numMergedOcc 0
43 mol 266 unq 0 iso 1 dist 8.93788 13.1038 7.50074 10.204 7.01175 6.47501 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 7.64453 9.99556 6.08044 7.32623 8.8956 6.13067 numMergedOcc 0
45 mol 287 unq 0 iso 1 dist 7.64453 7.32623 8.8956 9.99556 6.08044 6.13067 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 7.64453 9.99556 6.08044 7.32623 8.8956 6.13067 numMergedOcc 0
47 mol 288 unq 0 iso 1 dist 7.64453 7.32623 8.8956 9.99556 6.08044 6.13067 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 7.64453 9.99556 6.08044 7.32623 8.8956 6.13067 numMergedOcc 0
49 mol 289 unq 0 iso 1 dist 7.64453 7.32623 8.8956 9.99556 6.08044 6.13067 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 9.32168 4.34283 9.23149 11.1098 9.61379 13.4368 numMergedOcc 0
51 mol 292 unq 0 iso 1 dist 9.32168 11.1098 9.61379 4.34283 9.23149 13.4368 numMergedOcc 0
