0 mol 43 unq 0 iso 0 dist 7.53564 7.62469 6.44784 5.90113 9.74445 10.0804 6.1032 10.7958 6.57978 9.86609 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 13.6586 9.68526 14.8693 8.50831 10.2907 7.9575 16.1136 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 8.50831 10.2907 7.9575 15.0358 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 7.02351 6.7939 5.4653 4.15333 9.30776 10.5158 8.50831 10.2907 7.9575 12.2621 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 7.02351 6.85356 4.63063 13.6586 9.68526 11.7079 8.50831 10.2907 5.88827 16.1136 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 7.02351 6.85356 4.63063 13.6586 9.68526 11.7079 14.8359 13.177 9.66175 20.2198 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 7.02351 6.85356 4.63063 10.3774 7.26679 10.396 8.50831 10.2907 5.88827 15.0358 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 7.02351 6.85356 4.63063 10.3774 7.26679 10.396 14.8359 13.177 9.66175 15.5048 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 7.02351 6.85356 4.63063 4.15333 9.30776 10.4252 8.50831 10.2907 5.88827 12.2621 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 7.02351 6.85356 4.63063 4.15333 9.30776 10.4252 14.8359 13.177 9.66175 18.9609 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 10.3098 13.9682 7.9575 15.0358 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 7.53504 7.32265 8.30433 9.64124 6.89722 10.396 10.3098 13.9682 5.88827 15.0358 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 7.53504 7.32265 8.30433 9.64124 6.89722 10.396 6.35914 13.3668 9.66175 15.5048 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 8.66342 5.68894 5.4653 16.8585 9.68526 14.8693 10.3098 10.2907 7.9575 16.1136 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 10.3098 10.2907 7.9575 15.0358 numMergedOcc 0
15 mol 73 unq 14 iso 0 dist 8.66342 5.68894 5.4653 16.0481 9.30776 10.5158 10.3098 10.2907 7.9575 12.2621 numMergedOcc 0
16 mol 73 unq 15 iso 0 dist 8.66342 7.32265 4.63063 16.8585 9.68526 11.7079 10.3098 10.2907 5.88827 16.1136 numMergedOcc 0
17 mol 73 unq 16 iso 0 dist 8.66342 7.32265 4.63063 16.8585 9.68526 11.7079 6.35914 13.177 9.66175 20.2198 numMergedOcc 0
18 mol 73 unq 17 iso 0 dist 8.66342 7.32265 4.63063 9.64124 7.26679 10.396 10.3098 10.2907 5.88827 15.0358 numMergedOcc 0
19 mol 73 unq 18 iso 0 dist 8.66342 7.32265 4.63063 9.64124 7.26679 10.396 6.35914 13.177 9.66175 15.5048 numMergedOcc 0
20 mol 73 unq 19 iso 0 dist 8.66342 7.32265 4.63063 16.0481 9.30776 10.4252 10.3098 10.2907 5.88827 12.2621 numMergedOcc 0
21 mol 73 unq 20 iso 0 dist 8.66342 7.32265 4.63063 16.0481 9.30776 10.4252 6.35914 13.177 9.66175 18.9609 numMergedOcc 0
22 mol 73 unq 21 iso 0 dist 7.21285 5.68894 7.09483 16.8585 9.72442 14.8693 10.3098 10.1296 7.9575 16.1136 numMergedOcc 0
23 mol 73 unq 22 iso 0 dist 7.21285 5.68894 7.09483 4.91508 9.02288 5.36012 10.3098 10.1296 7.9575 6.28792 numMergedOcc 0
24 mol 73 unq 23 iso 0 dist 7.21285 7.32265 4.68175 16.8585 9.72442 11.7079 10.3098 10.1296 5.88827 16.1136 numMergedOcc 0
25 mol 73 unq 24 iso 0 dist 7.21285 7.32265 4.68175 16.8585 9.72442 11.7079 6.35914 11.0617 9.66175 20.2198 numMergedOcc 0
26 mol 73 unq 25 iso 0 dist 7.21285 7.32265 4.68175 4.91508 9.02288 6.3777 10.3098 10.1296 5.88827 6.28792 numMergedOcc 0
27 mol 73 unq 26 iso 0 dist 7.21285 7.32265 4.68175 4.91508 9.02288 6.3777 6.35914 11.0617 9.66175 4.4893 numMergedOcc 0
28 mol 73 unq 27 iso 0 dist 6.95094 5.68894 11.341 4.91508 9.58544 5.36012 10.3098 12.855 7.9575 6.28792 numMergedOcc 0
29 mol 73 unq 28 iso 0 dist 6.95094 7.32265 10.0459 4.91508 9.58544 6.3777 10.3098 12.855 5.88827 6.28792 numMergedOcc 0
30 mol 73 unq 29 iso 0 dist 6.95094 7.32265 10.0459 4.91508 9.58544 6.3777 6.35914 8.14547 9.66175 4.4893 numMergedOcc 0
31 mol 101 unq 0 iso 0 dist 5.51185 7.11476 4.84084 9.11989 8.77773 13.2895 4.80201 8.91685 8.2549 13.7019 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 10.106 8.48413 13.55 5.19808 5.79144 6.81144 7.69917 numMergedOcc 0
33 mol 142 unq 1 iso 0 dist 9.5355 7.21779 7.46089 8.68855 7.57458 10.1001 5.19808 5.79144 6.81144 4.05822 numMergedOcc 0
34 mol 174 unq 0 iso 0 dist 8.67807 8.15275 5.46023 11.932 8.76218 12.1323 6.77289 12.3657 8.63713 17.4371 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 8.21112 6.02053 8.82544 7.42296 7.07183 11.6539 6.20494 9.88692 4.93303 12.6762 numMergedOcc 0
36 mol 205 unq 1 iso 0 dist 8.21112 6.02053 8.82544 7.42296 7.07183 11.6539 8.39697 13.464 9.95859 10.5786 numMergedOcc 0
37 mol 205 unq 2 iso 0 dist 7.06533 7.41663 8.82544 8.60418 7.07183 11.6539 5.10421 9.88692 4.93303 12.6762 numMergedOcc 0
38 mol 205 unq 3 iso 0 dist 7.06533 7.41663 8.82544 8.60418 7.07183 11.6539 12.776 13.464 9.95859 10.5786 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 9.06201 8.96263 9.9943 11.9904 9.34636 7.49783 6.81831 12.6716 7.80646 14.4014 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 9.06201 8.96263 9.9943 13.0574 9.79616 11.5265 6.81831 12.6716 7.80646 17.2666 numMergedOcc 0
41 mol 224 unq 2 iso 0 dist 9.06201 7.35677 7.83342 11.9904 9.34636 10.6915 6.81831 12.6716 5.95109 14.4014 numMergedOcc 0
42 mol 224 unq 3 iso 0 dist 9.06201 7.35677 7.83342 13.0574 9.79616 13.7347 6.81831 12.6716 5.95109 17.2666 numMergedOcc 0
43 mol 226 unq 0 iso 0 dist 9.05082 8.24741 12.3913 10.78 9.5723 9.14028 10.4 18.9238 9.84378 17.0074 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 8.78008 7.80073 8.20191 10.9742 9.37996 15.5483 7.79949 9.94177 9.58325 10.718 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 7.83878 7.51278 4.13513 5.68749 7.66519 8.98788 10.0975 13.6446 9.99025 13.5822 numMergedOcc 0
