0 mol 73 unq 0 iso 0 dist 8.40844 5.33851 9.68526 13.4367 7.26679 15.7123 10.1112 8.31041 9.38498 9.96396 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 8.40844 5.33851 9.68526 15.7164 9.30776 13.7412 10.1112 8.31041 9.38498 9.75218 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 8.40844 13.4367 7.26679 5.33851 9.68526 15.7123 10.1112 8.31041 9.96396 9.38498 numMergedOcc 0
3 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 5.33851 9.68526 15.7123 8.124 5.44275 6.19304 10.2049 numMergedOcc 0
4 mol 73 unq 4 iso 0 dist 8.40844 13.4367 7.26679 5.33851 9.68526 15.7123 19.5696 11.2674 8.70481 20.257 numMergedOcc 0
5 mol 73 unq 5 iso 0 dist 8.40844 13.4367 7.26679 15.7164 9.30776 12.016 10.1112 8.31041 9.96396 9.75218 numMergedOcc 0
6 mol 73 unq 6 iso 0 dist 8.40844 13.4367 7.26679 15.7164 9.30776 12.016 8.124 5.44275 6.19304 11.6369 numMergedOcc 0
7 mol 73 unq 7 iso 0 dist 8.40844 13.4367 7.26679 15.7164 9.30776 12.016 19.5696 11.2674 8.70481 10.1207 numMergedOcc 0
8 mol 73 unq 8 iso 0 dist 8.40844 15.7164 9.30776 5.33851 9.68526 13.7412 10.1112 8.31041 9.75218 9.38498 numMergedOcc 0
9 mol 73 unq 9 iso 0 dist 8.40844 15.7164 9.30776 13.4367 7.26679 12.016 10.1112 8.31041 9.75218 9.96396 numMergedOcc 0
10 mol 73 unq 10 iso 0 dist 6.99156 5.33851 9.72442 16.0086 9.02288 17.8791 10.1112 11.7069 9.38498 17.8376 numMergedOcc 0
11 mol 73 unq 11 iso 0 dist 7.02351 13.6586 9.68526 10.3774 7.26679 15.7123 11.0108 8.31041 9.38498 9.96396 numMergedOcc 0
12 mol 73 unq 12 iso 0 dist 7.02351 13.6586 9.68526 4.15333 9.30776 13.7412 11.0108 8.31041 9.38498 9.75218 numMergedOcc 0
13 mol 73 unq 13 iso 0 dist 7.02351 10.3774 7.26679 13.6586 9.68526 15.7123 11.0108 8.31041 9.96396 9.38498 numMergedOcc 0
14 mol 73 unq 14 iso 0 dist 7.02351 10.3774 7.26679 13.6586 9.68526 15.7123 10.9082 5.44275 6.19304 10.2049 numMergedOcc 0
15 mol 73 unq 15 iso 0 dist 7.02351 10.3774 7.26679 13.6586 9.68526 15.7123 8.16299 11.2674 8.70481 20.257 numMergedOcc 0
16 mol 73 unq 16 iso 0 dist 7.02351 10.3774 7.26679 4.15333 9.30776 12.016 11.0108 8.31041 9.96396 9.75218 numMergedOcc 0
17 mol 73 unq 17 iso 0 dist 7.02351 10.3774 7.26679 4.15333 9.30776 12.016 10.9082 5.44275 6.19304 11.6369 numMergedOcc 0
18 mol 73 unq 18 iso 0 dist 7.02351 10.3774 7.26679 4.15333 9.30776 12.016 8.16299 11.2674 8.70481 10.1207 numMergedOcc 0
19 mol 73 unq 19 iso 0 dist 7.02351 4.15333 9.30776 13.6586 9.68526 13.7412 11.0108 8.31041 9.75218 9.38498 numMergedOcc 0
20 mol 73 unq 20 iso 0 dist 7.02351 4.15333 9.30776 10.3774 7.26679 12.016 11.0108 8.31041 9.75218 9.96396 numMergedOcc 0
21 mol 73 unq 21 iso 0 dist 8.66342 16.8585 9.68526 9.64124 7.26679 15.7123 16.3948 8.31041 9.38498 9.96396 numMergedOcc 0
22 mol 73 unq 22 iso 0 dist 8.66342 16.8585 9.68526 16.0481 9.30776 13.7412 16.3948 8.31041 9.38498 9.75218 numMergedOcc 0
23 mol 73 unq 23 iso 0 dist 8.66342 9.64124 7.26679 16.8585 9.68526 15.7123 16.3948 8.31041 9.96396 9.38498 numMergedOcc 0
24 mol 73 unq 24 iso 0 dist 8.66342 9.64124 7.26679 16.8585 9.68526 15.7123 11.801 5.44275 6.19304 10.2049 numMergedOcc 0
25 mol 73 unq 25 iso 0 dist 8.66342 9.64124 7.26679 16.8585 9.68526 15.7123 12.2721 11.2674 8.70481 20.257 numMergedOcc 0
26 mol 73 unq 26 iso 0 dist 8.66342 9.64124 7.26679 16.0481 9.30776 12.016 16.3948 8.31041 9.96396 9.75218 numMergedOcc 0
27 mol 73 unq 27 iso 0 dist 8.66342 9.64124 7.26679 16.0481 9.30776 12.016 11.801 5.44275 6.19304 11.6369 numMergedOcc 0
28 mol 73 unq 28 iso 0 dist 8.66342 9.64124 7.26679 16.0481 9.30776 12.016 12.2721 11.2674 8.70481 10.1207 numMergedOcc 0
29 mol 73 unq 29 iso 0 dist 8.66342 16.0481 9.30776 16.8585 9.68526 13.7412 16.3948 8.31041 9.75218 9.38498 numMergedOcc 0
30 mol 73 unq 30 iso 0 dist 8.66342 16.0481 9.30776 9.64124 7.26679 12.016 16.3948 8.31041 9.75218 9.96396 numMergedOcc 0
31 mol 73 unq 31 iso 0 dist 7.21285 16.8585 9.72442 4.91508 9.02288 17.8791 16.3948 11.7069 9.38498 17.8376 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 10.9352 7.84888 5.02055 11.1915 11.8037 7.4729 11.862 numMergedOcc 0
33 mol 102 unq 0 iso 0 dist 7.59973 13.9809 9.80678 10.3418 9.43411 9.15076 12.1389 5.54551 7.36792 12.0341 numMergedOcc 0
34 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 4.24853 7.25166 11.6284 11.8382 7.18757 7.5732 12.6649 numMergedOcc 0
35 mol 130 unq 0 iso 0 dist 8.26291 10.9365 7.83619 5.25879 8.54461 8.38345 13.2314 10.0837 9.28393 14.387 numMergedOcc 0
36 mol 130 unq 1 iso 0 dist 7.86001 5.63567 7.83619 10.7254 8.54461 8.38345 12.6804 10.0837 9.28393 14.387 numMergedOcc 0
37 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 4.93017 8.48413 7.81981 14.3662 13.1936 9.2313 14.7391 numMergedOcc 0
38 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 4.93017 8.48413 7.81981 13.2109 12.288 7.73169 15.1873 numMergedOcc 0
39 mol 142 unq 2 iso 0 dist 5.1557 6.01403 7.57458 4.93017 8.48413 7.81981 13.7988 14.2067 8.96657 16.6217 numMergedOcc 0
40 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 10.106 8.48413 7.81981 7.15087 13.1936 9.2313 14.7391 numMergedOcc 0
41 mol 142 unq 4 iso 0 dist 9.5355 8.68855 7.57458 10.106 8.48413 7.81981 10.5719 12.288 7.73169 15.1873 numMergedOcc 0
42 mol 142 unq 5 iso 0 dist 9.5355 8.68855 7.57458 10.106 8.48413 7.81981 15.3413 14.2067 8.96657 16.6217 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 7.7163 11.8217 9.34636 10.8463 9.79616 4.70378 7.07564 5.63485 8.95269 6.57273 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 7.7163 10.8463 9.79616 11.8217 9.34636 4.70378 7.07564 5.63485 6.57273 8.95269 numMergedOcc 0
45 mol 224 unq 2 iso 0 dist 7.7163 10.8463 9.79616 11.8217 9.34636 4.70378 12.0295 9.36962 6.60589 9.99123 numMergedOcc 0
46 mol 224 unq 3 iso 0 dist 9.06201 11.9904 9.34636 13.0574 9.79616 4.70378 10.9817 5.63485 8.95269 6.57273 numMergedOcc 0
47 mol 224 unq 4 iso 0 dist 9.06201 13.0574 9.79616 11.9904 9.34636 4.70378 10.9817 5.63485 6.57273 8.95269 numMergedOcc 0
48 mol 224 unq 5 iso 0 dist 9.06201 13.0574 9.79616 11.9904 9.34636 4.70378 15.8289 9.36962 6.60589 9.99123 numMergedOcc 0
49 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 6.47697 5.78121 8.34718 10.291 6.6173 7.57994 11.7594 numMergedOcc 0
50 mol 249 unq 1 iso 0 dist 5.66519 8.68833 7.29898 6.47697 5.78121 8.34718 12.7977 8.95486 6.18582 12.2913 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 16.6792 9.58006 4.69778 14.3065 7.55268 8.53687 10.5767 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 9.16791 12.4673 6.77279 16.6792 9.58006 4.69778 13.8844 5.71237 8.13497 7.88519 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 12.4673 6.77279 4.69778 13.8844 5.71237 7.88519 8.13497 numMergedOcc 0
54 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 12.4673 6.77279 4.69778 18.1068 9.10984 7.84554 9.95973 numMergedOcc 0
55 mol 259 unq 4 iso 0 dist 9.16791 16.6792 9.58006 12.4673 6.77279 4.69778 18.6945 11.8501 7.46176 10.3935 numMergedOcc 0
56 mol 259 unq 5 iso 0 dist 9.16791 16.6792 9.58006 12.4673 6.77279 4.69778 22.9986 13.9868 9.18903 12.6839 numMergedOcc 0
57 mol 274 unq 0 iso 0 dist 8.17922 10.374 7.80446 7.60191 9.86142 5.34251 13.261 6.57235 9.10818 13.0736 numMergedOcc 0
58 mol 276 unq 0 iso 0 dist 7.35537 9.58401 9.05218 7.16212 7.70061 8.56707 12.5562 5.72513 9.8993 10.033 numMergedOcc 0
59 mol 276 unq 1 iso 0 dist 7.35537 9.58401 9.05218 7.16212 7.70061 8.56707 13.4249 8.86096 6.87396 12.6292 numMergedOcc 0
60 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 10.7202 8.57532 12.7728 20.3589 13.2927 9.7748 19.7909 numMergedOcc 0
61 mol 277 unq 1 iso 0 dist 9.42812 16.2915 6.90434 17.0927 9.02914 7.08227 20.3589 13.2927 9.7748 16.3537 numMergedOcc 0
