0 mol 73 unq 0 iso 0 dist 8.40844 5.33851 9.68526 13.4367 7.26679 15.7123 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 8.40844 13.4367 7.26679 5.33851 9.68526 15.7123 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.40844 5.33851 9.68526 15.7164 9.30776 13.7412 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 8.40844 15.7164 9.30776 5.33851 9.68526 13.7412 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.40844 13.4367 7.26679 15.7164 9.30776 12.016 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 8.40844 15.7164 9.30776 13.4367 7.26679 12.016 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.99156 5.33851 9.72442 16.0086 9.02288 17.8791 numMergedOcc 0
7 mol 73 unq 2 iso 1 dist 6.99156 16.0086 9.02288 5.33851 9.72442 17.8791 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.02351 13.6586 9.68526 10.3774 7.26679 15.7123 numMergedOcc 0
9 mol 73 unq 3 iso 1 dist 7.02351 10.3774 7.26679 13.6586 9.68526 15.7123 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 7.02351 13.6586 9.68526 4.15333 9.30776 13.7412 numMergedOcc 0
11 mol 73 unq 4 iso 1 dist 7.02351 4.15333 9.30776 13.6586 9.68526 13.7412 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 7.02351 10.3774 7.26679 4.15333 9.30776 12.016 numMergedOcc 0
13 mol 73 unq 4 iso 1 dist 7.02351 4.15333 9.30776 10.3774 7.26679 12.016 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 8.66342 16.8585 9.68526 9.64124 7.26679 15.7123 numMergedOcc 0
15 mol 73 unq 5 iso 1 dist 8.66342 9.64124 7.26679 16.8585 9.68526 15.7123 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 8.66342 16.8585 9.68526 16.0481 9.30776 13.7412 numMergedOcc 0
17 mol 73 unq 6 iso 1 dist 8.66342 16.0481 9.30776 16.8585 9.68526 13.7412 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 8.66342 9.64124 7.26679 16.0481 9.30776 12.016 numMergedOcc 0
19 mol 73 unq 6 iso 1 dist 8.66342 16.0481 9.30776 9.64124 7.26679 12.016 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 7.21285 16.8585 9.72442 4.91508 9.02288 17.8791 numMergedOcc 0
21 mol 73 unq 7 iso 1 dist 7.21285 4.91508 9.02288 16.8585 9.72442 17.8791 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 10.9352 7.84888 5.02055 numMergedOcc 0
23 mol 92 unq 0 iso 1 dist 4.85152 10.9352 7.84888 11.1785 9.514 5.02055 numMergedOcc 0
24 mol 102 unq 0 iso 0 dist 7.59973 10.3418 9.43411 13.9809 9.80678 9.15076 numMergedOcc 0
25 mol 102 unq 0 iso 1 dist 7.59973 13.9809 9.80678 10.3418 9.43411 9.15076 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 8.592 4.24853 7.25166 9.52181 8.42445 11.6284 numMergedOcc 0
27 mol 114 unq 0 iso 1 dist 8.592 9.52181 8.42445 4.24853 7.25166 11.6284 numMergedOcc 0
28 mol 130 unq 0 iso 0 dist 8.26291 5.25879 8.54461 10.9365 7.83619 8.38345 numMergedOcc 0
29 mol 130 unq 0 iso 1 dist 8.26291 10.9365 7.83619 5.25879 8.54461 8.38345 numMergedOcc 0
30 mol 130 unq 1 iso 0 dist 7.86001 10.7254 8.54461 5.63567 7.83619 8.38345 numMergedOcc 0
31 mol 130 unq 1 iso 1 dist 7.86001 5.63567 7.83619 10.7254 8.54461 8.38345 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 5.1557 4.93017 8.48413 6.01403 7.57458 7.81981 numMergedOcc 0
33 mol 142 unq 0 iso 1 dist 5.1557 6.01403 7.57458 4.93017 8.48413 7.81981 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 9.5355 10.106 8.48413 8.68855 7.57458 7.81981 numMergedOcc 0
35 mol 142 unq 1 iso 1 dist 9.5355 8.68855 7.57458 10.106 8.48413 7.81981 numMergedOcc 0
36 mol 207 unq 0 iso 0 dist 4.55528 4.4545 8.09522 5.62653 5.08312 5.99308 numMergedOcc 0
37 mol 207 unq 0 iso 1 dist 4.55528 5.62653 5.08312 4.4545 8.09522 5.99308 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 7.7163 11.8217 9.34636 10.8463 9.79616 4.70378 numMergedOcc 0
39 mol 224 unq 0 iso 1 dist 7.7163 10.8463 9.79616 11.8217 9.34636 4.70378 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 9.06201 11.9904 9.34636 13.0574 9.79616 4.70378 numMergedOcc 0
41 mol 224 unq 1 iso 1 dist 9.06201 13.0574 9.79616 11.9904 9.34636 4.70378 numMergedOcc 0
42 mol 249 unq 0 iso 0 dist 5.66519 6.47697 5.78121 8.68833 7.29898 8.34718 numMergedOcc 0
43 mol 249 unq 0 iso 1 dist 5.66519 8.68833 7.29898 6.47697 5.78121 8.34718 numMergedOcc 0
44 mol 257 unq 0 iso 0 dist 5.65496 6.75122 4.97263 5.99362 5.36776 5.6276 numMergedOcc 0
45 mol 257 unq 0 iso 1 dist 5.65496 5.99362 5.36776 6.75122 4.97263 5.6276 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 16.6792 9.58006 4.69778 numMergedOcc 0
47 mol 259 unq 0 iso 1 dist 9.16791 16.6792 9.58006 12.4673 6.77279 4.69778 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 7.59956 4.89399 7.79904 11.3084 9.02749 12.8986 numMergedOcc 0
49 mol 274 unq 0 iso 1 dist 7.59956 11.3084 9.02749 4.89399 7.79904 12.8986 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 8.05503 10.9974 7.79904 16.897 9.02749 12.8986 numMergedOcc 0
51 mol 274 unq 1 iso 1 dist 8.05503 16.897 9.02749 10.9974 7.79904 12.8986 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 5.59151 7.60191 7.79904 13.8866 9.02749 12.8986 numMergedOcc 0
53 mol 274 unq 2 iso 1 dist 5.59151 13.8866 9.02749 7.60191 7.79904 12.8986 numMergedOcc 0
54 mol 274 unq 3 iso 0 dist 8.17922 10.374 7.80446 7.60191 9.86142 5.34251 numMergedOcc 0
55 mol 274 unq 3 iso 1 dist 8.17922 7.60191 9.86142 10.374 7.80446 5.34251 numMergedOcc 0
56 mol 276 unq 0 iso 0 dist 7.35537 7.16212 7.70061 9.58401 9.05218 8.56707 numMergedOcc 0
57 mol 276 unq 0 iso 1 dist 7.35537 9.58401 9.05218 7.16212 7.70061 8.56707 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 9.42812 10.7202 8.57532 17.0927 9.02914 9.50605 numMergedOcc 0
59 mol 277 unq 0 iso 1 dist 9.42812 17.0927 9.02914 10.7202 8.57532 9.50605 numMergedOcc 0
60 mol 277 unq 1 iso 0 dist 9.42812 10.7202 8.57532 16.2915 6.90434 12.7728 numMergedOcc 0
61 mol 277 unq 1 iso 1 dist 9.42812 16.2915 6.90434 10.7202 8.57532 12.7728 numMergedOcc 0
62 mol 277 unq 1 iso 0 dist 9.42812 17.0927 9.02914 16.2915 6.90434 7.08227 numMergedOcc 0
63 mol 277 unq 1 iso 1 dist 9.42812 16.2915 6.90434 17.0927 9.02914 7.08227 numMergedOcc 0
