0 mol 24 unq 0 iso 0 dist 5.11382 11.1055 8.25818 14.6211 10.5243 9.7649 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 9.7649 10.5243 8.25818 14.6211 11.1055 5.11382 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.11382 11.1055 8.25818 13.9169 10.2093 6.5268 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.5268 10.2093 8.25818 13.9169 11.1055 5.11382 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.35997 6.66835 4.75881 11.054 5.29955 7.68019 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 7.68019 5.29955 4.75881 11.054 6.66835 6.35997 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.77802 3.42062 9.05737 8.38139 5.7037 9.07283 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 9.07283 5.7037 9.05737 8.38139 3.42062 6.77802 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 7.49792 3.70802 4.46067 8.19721 4.29679 6.51901 numMergedOcc 0
9 mol 62 unq 0 iso 1 dist 6.51901 4.29679 4.46067 8.19721 3.70802 7.49792 numMergedOcc 0
10 mol 62 unq 1 iso 0 dist 7.49792 3.70802 4.46067 11.6607 8.07308 9.1926 numMergedOcc 0
11 mol 62 unq 1 iso 1 dist 9.1926 8.07308 4.46067 11.6607 3.70802 7.49792 numMergedOcc 0
12 mol 62 unq 2 iso 0 dist 6.58981 3.66673 4.46067 6.84323 4.29679 6.51901 numMergedOcc 0
13 mol 62 unq 2 iso 1 dist 6.51901 4.29679 4.46067 6.84323 3.66673 6.58981 numMergedOcc 0
14 mol 62 unq 3 iso 0 dist 6.58981 3.66673 4.46067 7.24768 8.07308 9.1926 numMergedOcc 0
15 mol 62 unq 3 iso 1 dist 9.1926 8.07308 4.46067 7.24768 3.66673 6.58981 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.56288 7.14242 6.67137 7.52742 3.81285 8.15861 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 8.15861 3.81285 6.67137 7.52742 7.14242 6.56288 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 5.97559 7.14242 7.04244 7.52742 6.17121 8.15861 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 8.15861 6.17121 7.04244 7.52742 7.14242 5.97559 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 8.23294 3.27874 5.20429 9.00874 8.70619 8.92653 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 8.92653 8.70619 5.20429 9.00874 3.27874 8.23294 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 8.2702 3.27874 8.71366 9.00874 3.89959 8.92653 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 8.92653 3.89959 8.71366 9.00874 3.27874 8.2702 numMergedOcc 0
24 mol 111 unq 0 iso 0 dist 6.33923 3.83194 4.91212 5.68841 7.42165 8.51084 numMergedOcc 0
25 mol 111 unq 0 iso 1 dist 8.51084 7.42165 4.91212 5.68841 3.83194 6.33923 numMergedOcc 0
26 mol 111 unq 1 iso 0 dist 6.33923 5.56913 9.34782 5.68841 7.42165 5.53271 numMergedOcc 0
27 mol 111 unq 1 iso 1 dist 5.53271 7.42165 9.34782 5.68841 5.56913 6.33923 numMergedOcc 0
28 mol 111 unq 2 iso 0 dist 9.9801 3.83194 9.74162 5.68841 7.93667 8.51084 numMergedOcc 0
29 mol 111 unq 2 iso 1 dist 8.51084 7.93667 9.74162 5.68841 3.83194 9.9801 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 7.15344 11.8793 8.54737 12.7803 6.29741 8.09863 numMergedOcc 0
31 mol 204 unq 0 iso 1 dist 8.09863 6.29741 8.54737 12.7803 11.8793 7.15344 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 9.98617 11.8793 7.64057 12.7803 3.88406 8.09863 numMergedOcc 0
33 mol 204 unq 1 iso 1 dist 8.09863 3.88406 7.64057 12.7803 11.8793 9.98617 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 5.28746 13.005 9.9965 14.9675 12.3524 7.43884 numMergedOcc 0
35 mol 266 unq 0 iso 1 dist 7.43884 12.3524 9.9965 14.9675 13.005 5.28746 numMergedOcc 0
36 mol 281 unq 0 iso 0 dist 9.05453 16.2801 7.90368 9.18565 3.86368 7.43535 numMergedOcc 0
37 mol 281 unq 0 iso 1 dist 7.43535 3.86368 7.90368 9.18565 16.2801 9.05453 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.1525 9.84883 9.14217 numMergedOcc 0
39 mol 287 unq 0 iso 1 dist 9.14217 9.84883 4.68668 18.1525 11.4589 8.4625 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.1525 9.84883 9.14217 numMergedOcc 0
41 mol 288 unq 0 iso 1 dist 9.14217 9.84883 4.68668 18.1525 11.4589 8.4625 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.1525 9.84883 9.14217 numMergedOcc 0
43 mol 289 unq 0 iso 1 dist 9.14217 9.84883 4.68668 18.1525 11.4589 8.4625 numMergedOcc 0
