0 mol 28 unq 0 iso 0 dist 9.56722 12.1174 8.76224 10.8301 8.53424 11.7233 10.0008 7.08766 13.0183 3.70336 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 9.56722 12.1174 8.76224 10.0008 7.08766 13.0183 10.8301 8.53424 11.7233 3.70336 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.56722 12.1174 8.76224 10.8301 8.53424 11.7233 7.55139 4.82199 10.9699 5.1533 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 9.56722 12.1174 8.76224 7.55139 4.82199 10.9699 10.8301 8.53424 11.7233 5.1533 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.56722 12.1174 8.76224 10.0008 7.08766 13.0183 7.55139 4.82199 10.9699 3.0988 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 9.56722 12.1174 8.76224 7.55139 4.82199 10.9699 10.0008 7.08766 13.0183 3.0988 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.63792 4.35001 6.46582 8.58059 7.66068 9.68005 14.7497 9.5043 14.6547 6.98219 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 8.63792 4.35001 6.46582 14.7497 9.5043 14.6547 8.58059 7.66068 9.68005 6.98219 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.63792 4.35001 6.46582 8.58059 7.66068 9.68005 14.3572 8.34132 14.1202 8.74837 numMergedOcc 0
9 mol 76 unq 1 iso 1 dist 8.63792 4.35001 6.46582 14.3572 8.34132 14.1202 8.58059 7.66068 9.68005 8.74837 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.63792 4.35001 6.46582 14.7497 9.5043 14.6547 14.3572 8.34132 14.1202 4.82479 numMergedOcc 0
11 mol 76 unq 1 iso 1 dist 8.63792 4.35001 6.46582 14.3572 8.34132 14.1202 14.7497 9.5043 14.6547 4.82479 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 8.39335 12.3044 6.73466 11.779 9.07629 4.15443 13.0405 8.61143 5.83035 8.09729 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 8.39335 12.3044 6.73466 13.0405 8.61143 5.83035 11.779 9.07629 4.15443 8.09729 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.46616 11.533 7.39028 3.79265 9.51764 9.3283 13.1376 9.29327 3.98588 10.241 numMergedOcc 0
15 mol 109 unq 0 iso 1 dist 9.46616 11.533 7.39028 13.1376 9.29327 3.98588 3.79265 9.51764 9.3283 10.241 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 9.44 15.0126 7.96893 12.8761 5.31126 3.74516 7.68828 4.49669 7.32784 5.7147 numMergedOcc 0
17 mol 113 unq 0 iso 1 dist 9.44 15.0126 7.96893 7.68828 4.49669 7.32784 12.8761 5.31126 3.74516 5.7147 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 9.44 15.0126 7.96893 12.8761 5.31126 3.74516 8.44413 6.00221 8.46561 8.09465 numMergedOcc 0
19 mol 113 unq 1 iso 1 dist 9.44 15.0126 7.96893 8.44413 6.00221 8.46561 12.8761 5.31126 3.74516 8.09465 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 9.44 15.0126 7.96893 7.68828 4.49669 7.32784 8.44413 6.00221 8.46561 3.74304 numMergedOcc 0
21 mol 113 unq 1 iso 1 dist 9.44 15.0126 7.96893 8.44413 6.00221 8.46561 7.68828 4.49669 7.32784 3.74304 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 8.44206 10.1556 8.03124 10.0743 9.31385 6.03314 5.56137 6.98791 4.74539 5.7181 numMergedOcc 0
23 mol 120 unq 0 iso 1 dist 8.44206 10.1556 8.03124 5.56137 6.98791 4.74539 10.0743 9.31385 6.03314 5.7181 numMergedOcc 0
24 mol 120 unq 1 iso 0 dist 9.78884 12.3435 8.03124 10.2233 9.31385 6.03314 7.75617 6.98791 4.74539 5.7181 numMergedOcc 0
25 mol 120 unq 1 iso 1 dist 9.78884 12.3435 8.03124 7.75617 6.98791 4.74539 10.2233 9.31385 6.03314 5.7181 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 7.15344 3.89328 9.12524 6.82158 8.32259 5.8523 11.8793 8.54737 10.6525 8.59834 numMergedOcc 0
27 mol 204 unq 0 iso 1 dist 7.15344 3.89328 9.12524 11.8793 8.54737 10.6525 6.82158 8.32259 5.8523 8.59834 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 9.11501 12.3297 7.88108 9.99682 7.04263 3.43711 7.52009 6.48099 8.84611 8.76827 numMergedOcc 0
29 mol 260 unq 0 iso 1 dist 9.11501 12.3297 7.88108 7.52009 6.48099 8.84611 9.99682 7.04263 3.43711 8.76827 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 5.28746 7.5048 9.35293 9.23405 6.96692 7.2339 11.313 8.25286 12.15 5.76129 numMergedOcc 0
31 mol 266 unq 0 iso 1 dist 5.28746 7.5048 9.35293 11.313 8.25286 12.15 9.23405 6.96692 7.2339 5.76129 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 5.28746 7.5048 9.35293 9.23405 6.96692 7.2339 13.005 9.9965 14.8334 8.75066 numMergedOcc 0
33 mol 266 unq 1 iso 1 dist 5.28746 7.5048 9.35293 13.005 9.9965 14.8334 9.23405 6.96692 7.2339 8.75066 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 5.28746 7.5048 9.35293 11.313 8.25286 12.15 13.005 9.9965 14.8334 3.00605 numMergedOcc 0
35 mol 266 unq 1 iso 1 dist 5.28746 7.5048 9.35293 13.005 9.9965 14.8334 11.313 8.25286 12.15 3.00605 numMergedOcc 0
36 mol 266 unq 2 iso 0 dist 5.28746 8.13064 7.93375 9.23405 6.96692 3.87565 11.313 8.25286 9.25882 5.76129 numMergedOcc 0
37 mol 266 unq 2 iso 1 dist 5.28746 8.13064 7.93375 11.313 8.25286 9.25882 9.23405 6.96692 3.87565 5.76129 numMergedOcc 0
38 mol 266 unq 3 iso 0 dist 5.28746 8.13064 7.93375 9.23405 6.96692 3.87565 13.005 9.9965 12.1357 8.75066 numMergedOcc 0
39 mol 266 unq 3 iso 1 dist 5.28746 8.13064 7.93375 13.005 9.9965 12.1357 9.23405 6.96692 3.87565 8.75066 numMergedOcc 0
40 mol 266 unq 3 iso 0 dist 5.28746 8.13064 7.93375 11.313 8.25286 9.25882 13.005 9.9965 12.1357 3.00605 numMergedOcc 0
41 mol 266 unq 3 iso 1 dist 5.28746 8.13064 7.93375 13.005 9.9965 12.1357 11.313 8.25286 9.25882 3.00605 numMergedOcc 0
42 mol 281 unq 0 iso 0 dist 9.05453 9.92739 6.82918 16.2801 7.90368 13.5758 9.81081 6.69267 7.74065 12.7734 numMergedOcc 0
43 mol 281 unq 0 iso 1 dist 9.05453 9.92739 6.82918 9.81081 6.69267 7.74065 16.2801 7.90368 13.5758 12.7734 numMergedOcc 0
