0 mol 7 unq 0 iso 0 dist 7.5298 14.06 7.21217 12.3221 6.09254 7.10621 21.5045 14.899 13.156 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.94874 5.77391 7.21217 11.9671 6.09254 7.10621 18.6509 14.899 13.156 9.67164 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.72142 5.40044 8.47315 6.28033 5.59769 4.7319 6.64634 12.2105 6.86055 7.65889 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 15.1109 11.3479 5.01101 6.42835 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 9.36191 8.63347 4.65873 6.57331 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 9.36191 8.63347 4.65873 8.43054 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.7652 10.323 8.80331 12.348 10.872 5.41726 6.6263 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 12.348 10.872 5.41726 6.75943 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 7.53564 5.90113 9.74445 9.17086 10.323 8.80331 4.9903 10.872 5.41726 6.6263 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 4.9903 10.872 5.41726 6.75943 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 15.2252 10.1662 5.70116 9.73086 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 15.7072 9.71578 6.20232 8.68662 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 15.2252 10.1662 5.70116 7.4369 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 19.7485 15.9711 11.2069 5.5087 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 21.8828 16.9878 10.6713 6.08682 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 8.40844 5.33851 9.68526 10.1112 8.31041 9.38498 15.2252 11.4233 17.4121 9.73086 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 15.2252 11.4233 5.70116 9.73086 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 15.7072 12.3622 6.20232 8.68662 numMergedOcc 0
18 mol 73 unq 8 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 15.2252 11.4233 5.70116 7.4369 numMergedOcc 0
19 mol 73 unq 9 iso 0 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 19.7485 11.9031 11.2069 5.5087 numMergedOcc 0
20 mol 73 unq 10 iso 0 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 21.8828 14.3253 10.6713 6.08682 numMergedOcc 0
21 mol 73 unq 11 iso 0 dist 8.40844 15.7164 9.30776 10.1112 8.31041 9.75218 15.2252 11.4233 14.844 9.73086 numMergedOcc 0
22 mol 73 unq 12 iso 0 dist 6.99156 5.33851 9.72442 10.1112 11.7069 9.38498 15.2252 14.3455 17.4121 9.73086 numMergedOcc 0
23 mol 73 unq 13 iso 0 dist 7.02351 13.6586 9.68526 11.0108 8.31041 9.38498 14.601 11.4233 17.4121 9.73086 numMergedOcc 0
24 mol 73 unq 14 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 14.601 11.4233 5.70116 9.73086 numMergedOcc 0
25 mol 73 unq 15 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 16.3286 12.3622 6.20232 8.68662 numMergedOcc 0
26 mol 73 unq 16 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 14.601 11.4233 5.70116 7.4369 numMergedOcc 0
27 mol 73 unq 17 iso 0 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 6.52486 11.9031 11.2069 5.5087 numMergedOcc 0
28 mol 73 unq 18 iso 0 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 10.9731 14.3253 10.6713 6.08682 numMergedOcc 0
29 mol 73 unq 19 iso 0 dist 7.02351 4.15333 9.30776 11.0108 8.31041 9.75218 14.601 11.4233 14.844 9.73086 numMergedOcc 0
30 mol 73 unq 20 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 14.8619 10.1662 5.70116 9.73086 numMergedOcc 0
31 mol 73 unq 21 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 13.9138 9.71578 6.20232 8.68662 numMergedOcc 0
32 mol 73 unq 22 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 14.8619 10.1662 5.70116 7.4369 numMergedOcc 0
33 mol 73 unq 23 iso 0 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 15.9581 15.9711 11.2069 5.5087 numMergedOcc 0
34 mol 73 unq 24 iso 0 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 17.4657 16.9878 10.6713 6.08682 numMergedOcc 0
35 mol 73 unq 25 iso 0 dist 8.66342 16.8585 9.68526 16.3948 8.31041 9.38498 14.8619 11.4233 17.4121 9.73086 numMergedOcc 0
36 mol 73 unq 26 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 14.8619 11.4233 5.70116 9.73086 numMergedOcc 0
37 mol 73 unq 27 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 13.9138 12.3622 6.20232 8.68662 numMergedOcc 0
38 mol 73 unq 28 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 14.8619 11.4233 5.70116 7.4369 numMergedOcc 0
39 mol 73 unq 29 iso 0 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 15.9581 11.9031 11.2069 5.5087 numMergedOcc 0
40 mol 73 unq 30 iso 0 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 17.4657 14.3253 10.6713 6.08682 numMergedOcc 0
41 mol 73 unq 31 iso 0 dist 8.66342 16.0481 9.30776 16.3948 8.31041 9.75218 14.8619 11.4233 14.844 9.73086 numMergedOcc 0
42 mol 73 unq 32 iso 0 dist 7.21285 16.8585 9.72442 16.3948 11.7069 9.38498 14.8619 14.3455 17.4121 9.73086 numMergedOcc 0
43 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 10.442 14.3548 7.20875 8.84018 numMergedOcc 0
44 mol 117 unq 1 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 7.5937 13.8641 10.5783 6.10127 numMergedOcc 0
45 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 8.08934 13.2718 3.55765 8.19331 numMergedOcc 0
46 mol 117 unq 3 iso 0 dist 8.30003 5.21051 9.85576 10.5123 9.53886 7.0603 8.08934 13.2718 3.55765 8.85711 numMergedOcc 0
47 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 11.6899 10.3465 5.39112 6.59889 numMergedOcc 0
48 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 8.21842 8.78112 4.84714 8.9192 numMergedOcc 0
49 mol 152 unq 2 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 11.6899 10.3465 5.39112 6.70693 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 4.35909 5.32859 7.44191 11.0615 9.60754 8.03334 10.3533 11.3022 6.50233 9.76212 numMergedOcc 0
51 mol 181 unq 1 iso 0 dist 5.77393 5.32859 6.00053 11.0615 11.1879 8.03334 10.3533 12.4544 6.50233 9.76212 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.92572 11.1592 5.0317 5.23634 numMergedOcc 0
53 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.92572 11.1592 5.0317 6.91318 numMergedOcc 0
54 mol 239 unq 0 iso 0 dist 4.21935 4.77446 6.37342 6.83046 5.29737 6.16342 8.15025 7.69491 10.6736 6.73665 numMergedOcc 0
55 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 13.0796 5.26867 7.19638 7.44658 4.54745 7.40852 7.15764 numMergedOcc 0
56 mol 252 unq 1 iso 0 dist 9.42193 14.864 9.73021 13.4304 5.26867 7.19638 8.846 4.54745 7.40852 7.15764 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 13.8844 5.71237 8.13497 15.9381 12.5187 12.2293 9.46361 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 15.9381 12.5187 11.6988 9.46361 numMergedOcc 0
59 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 17.625 13.565 10.067 5.85442 numMergedOcc 0
60 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 15.9381 12.5187 11.6988 6.95511 numMergedOcc 0
