0 mol 28 unq 0 iso 0 dist 8.76224 7.77448 9.2146 11.7233 8.53424 16.4255 13.0183 7.08766 16.0765 3.70336 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 8.76224 7.77448 9.2146 13.0183 7.08766 16.0765 11.7233 8.53424 16.4255 3.70336 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.76224 7.77448 9.2146 11.7233 8.53424 16.4255 10.9699 4.82199 13.6412 5.1533 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 8.76224 7.77448 9.2146 10.9699 4.82199 13.6412 11.7233 8.53424 16.4255 5.1533 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 8.76224 7.77448 9.2146 13.0183 7.08766 16.0765 10.9699 4.82199 13.6412 3.0988 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 8.76224 7.77448 9.2146 10.9699 4.82199 13.6412 13.0183 7.08766 16.0765 3.0988 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.54314 7.78684 8.78414 9.09265 8.14512 4.73277 7.57764 9.13228 10.1907 13.0286 numMergedOcc 0
7 mol 63 unq 0 iso 1 dist 9.54314 7.78684 8.78414 7.57764 9.13228 10.1907 9.09265 8.14512 4.73277 13.0286 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.46582 11.3491 9.57759 9.68005 7.66068 9.50354 14.6547 9.5043 12.0331 6.98219 numMergedOcc 0
9 mol 76 unq 0 iso 1 dist 6.46582 11.3491 9.57759 14.6547 9.5043 12.0331 9.68005 7.66068 9.50354 6.98219 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 6.46582 11.3491 9.57759 9.68005 7.66068 9.50354 14.1202 8.34132 9.2434 8.74837 numMergedOcc 0
11 mol 76 unq 1 iso 1 dist 6.46582 11.3491 9.57759 14.1202 8.34132 9.2434 9.68005 7.66068 9.50354 8.74837 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 6.46582 11.3491 9.57759 14.6547 9.5043 12.0331 14.1202 8.34132 9.2434 4.82479 numMergedOcc 0
13 mol 76 unq 1 iso 1 dist 6.46582 11.3491 9.57759 14.1202 8.34132 9.2434 14.6547 9.5043 12.0331 4.82479 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 6.73466 3.44873 9.38837 4.15443 9.07629 4.83106 5.83035 8.61143 4.315 8.09729 numMergedOcc 0
15 mol 78 unq 0 iso 1 dist 6.73466 3.44873 9.38837 5.83035 8.61143 4.315 4.15443 9.07629 4.83106 8.09729 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 6.73466 10.3854 9.80913 4.15443 9.07629 9.40741 5.83035 8.61143 9.00868 8.09729 numMergedOcc 0
17 mol 78 unq 1 iso 1 dist 6.73466 10.3854 9.80913 5.83035 8.61143 9.00868 4.15443 9.07629 9.40741 8.09729 numMergedOcc 0
18 mol 83 unq 0 iso 0 dist 9.94528 6.51558 5.35861 5.31562 7.50925 3.62753 9.24212 6.96722 3.65203 6.91034 numMergedOcc 0
19 mol 83 unq 0 iso 1 dist 9.94528 6.51558 5.35861 9.24212 6.96722 3.65203 5.31562 7.50925 3.62753 6.91034 numMergedOcc 0
20 mol 83 unq 1 iso 0 dist 8.94777 9.07479 5.35861 8.56578 7.50925 3.62753 12.1198 6.96722 3.65203 6.91034 numMergedOcc 0
21 mol 83 unq 1 iso 1 dist 8.94777 9.07479 5.35861 12.1198 6.96722 3.65203 8.56578 7.50925 3.62753 6.91034 numMergedOcc 0
22 mol 83 unq 2 iso 0 dist 9.47551 5.46512 5.35861 7.14423 7.50925 3.62753 3.76903 6.96722 3.65203 6.91034 numMergedOcc 0
23 mol 83 unq 2 iso 1 dist 9.47551 5.46512 5.35861 3.76903 6.96722 3.65203 7.14423 7.50925 3.62753 6.91034 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 7.96893 8.60362 8.67025 3.74516 5.31126 9.59189 7.32784 4.49669 10.1118 5.7147 numMergedOcc 0
25 mol 113 unq 0 iso 1 dist 7.96893 8.60362 8.67025 7.32784 4.49669 10.1118 3.74516 5.31126 9.59189 5.7147 numMergedOcc 0
26 mol 113 unq 1 iso 0 dist 7.96893 8.60362 8.67025 3.74516 5.31126 9.59189 8.46561 6.00221 8.19901 8.09465 numMergedOcc 0
27 mol 113 unq 1 iso 1 dist 7.96893 8.60362 8.67025 8.46561 6.00221 8.19901 3.74516 5.31126 9.59189 8.09465 numMergedOcc 0
28 mol 113 unq 1 iso 0 dist 7.96893 8.60362 8.67025 7.32784 4.49669 10.1118 8.46561 6.00221 8.19901 3.74304 numMergedOcc 0
29 mol 113 unq 1 iso 1 dist 7.96893 8.60362 8.67025 8.46561 6.00221 8.19901 7.32784 4.49669 10.1118 3.74304 numMergedOcc 0
30 mol 120 unq 0 iso 0 dist 8.03124 4.22448 9.98772 6.03314 9.31385 3.28697 4.74539 6.98791 4.5296 5.7181 numMergedOcc 0
31 mol 120 unq 0 iso 1 dist 8.03124 4.22448 9.98772 4.74539 6.98791 4.5296 6.03314 9.31385 3.28697 5.7181 numMergedOcc 0
32 mol 168 unq 0 iso 0 dist 6.48066 9.43003 7.0961 3.56227 5.86767 6.06538 3.96437 5.28353 10.919 6.37254 numMergedOcc 0
33 mol 168 unq 0 iso 1 dist 6.48066 9.43003 7.0961 3.96437 5.28353 10.919 3.56227 5.86767 6.06538 6.37254 numMergedOcc 0
34 mol 168 unq 1 iso 0 dist 6.48066 8.01699 8.21227 3.56227 5.86767 9.99868 3.96437 5.28353 6.91388 6.37254 numMergedOcc 0
35 mol 168 unq 1 iso 1 dist 6.48066 8.01699 8.21227 3.96437 5.28353 6.91388 3.56227 5.86767 9.99868 6.37254 numMergedOcc 0
36 mol 168 unq 2 iso 0 dist 6.48066 9.98239 6.53038 3.56227 5.86767 10.7133 3.96437 5.28353 6.65321 6.37254 numMergedOcc 0
37 mol 168 unq 2 iso 1 dist 6.48066 9.98239 6.53038 3.96437 5.28353 6.65321 3.56227 5.86767 10.7133 6.37254 numMergedOcc 0
38 mol 169 unq 0 iso 0 dist 7.78577 8.55252 8.6961 3.69097 5.10589 9.60496 7.14832 4.63336 10.5251 5.23644 numMergedOcc 0
39 mol 169 unq 0 iso 1 dist 7.78577 8.55252 8.6961 7.14832 4.63336 10.5251 3.69097 5.10589 9.60496 5.23644 numMergedOcc 0
40 mol 169 unq 1 iso 0 dist 7.78577 8.55252 8.6961 3.69097 5.10589 9.60496 8.01356 6.10715 8.67112 7.52063 numMergedOcc 0
41 mol 169 unq 1 iso 1 dist 7.78577 8.55252 8.6961 8.01356 6.10715 8.67112 3.69097 5.10589 9.60496 7.52063 numMergedOcc 0
42 mol 169 unq 1 iso 0 dist 7.78577 8.55252 8.6961 7.14832 4.63336 10.5251 8.01356 6.10715 8.67112 3.74306 numMergedOcc 0
43 mol 169 unq 1 iso 1 dist 7.78577 8.55252 8.6961 8.01356 6.10715 8.67112 7.14832 4.63336 10.5251 3.74306 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 7.69952 6.21273 8.17928 3.42324 4.87942 4.79079 8.26669 7.25595 3.60793 6.13455 numMergedOcc 0
45 mol 186 unq 0 iso 1 dist 7.69952 6.21273 8.17928 8.26669 7.25595 3.60793 3.42324 4.87942 4.79079 6.13455 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 9.14525 5.22626 8.92135 13.1776 7.25595 14.4913 4.10348 9.94825 5.43612 12.8007 numMergedOcc 0
47 mol 186 unq 1 iso 1 dist 9.14525 5.22626 8.92135 4.10348 9.94825 5.43612 13.1776 7.25595 14.4913 12.8007 numMergedOcc 0
48 mol 204 unq 0 iso 0 dist 9.12524 9.69119 8.23717 5.8523 8.32259 5.80328 10.6525 8.54737 3.68217 8.59834 numMergedOcc 0
49 mol 204 unq 0 iso 1 dist 9.12524 9.69119 8.23717 10.6525 8.54737 3.68217 5.8523 8.32259 5.80328 8.59834 numMergedOcc 0
50 mol 254 unq 0 iso 0 dist 7.89302 5.06168 5.6417 5.81468 7.85841 8.8967 8.51317 9.20109 10.929 3.15539 numMergedOcc 0
51 mol 254 unq 0 iso 1 dist 7.89302 5.06168 5.6417 8.51317 9.20109 10.929 5.81468 7.85841 8.8967 3.15539 numMergedOcc 0
52 mol 254 unq 1 iso 0 dist 7.89302 6.25965 7.42831 5.81468 7.85841 9.42679 8.51317 9.20109 10.706 3.15539 numMergedOcc 0
53 mol 254 unq 1 iso 1 dist 7.89302 6.25965 7.42831 8.51317 9.20109 10.706 5.81468 7.85841 9.42679 3.15539 numMergedOcc 0
54 mol 260 unq 0 iso 0 dist 7.88108 9.0549 8.51564 3.43711 7.04263 8.22506 8.84611 6.48099 3.68866 8.76827 numMergedOcc 0
55 mol 260 unq 0 iso 1 dist 7.88108 9.0549 8.51564 8.84611 6.48099 3.68866 3.43711 7.04263 8.22506 8.76827 numMergedOcc 0
56 mol 266 unq 0 iso 0 dist 9.35293 10.858 8.20376 7.2339 6.96692 3.68488 12.15 8.25286 3.14784 5.76129 numMergedOcc 0
57 mol 266 unq 0 iso 1 dist 9.35293 10.858 8.20376 12.15 8.25286 3.14784 7.2339 6.96692 3.68488 5.76129 numMergedOcc 0
58 mol 266 unq 1 iso 0 dist 9.35293 10.858 8.20376 7.2339 6.96692 3.68488 14.8334 9.9965 5.95721 8.75066 numMergedOcc 0
59 mol 266 unq 1 iso 1 dist 9.35293 10.858 8.20376 14.8334 9.9965 5.95721 7.2339 6.96692 3.68488 8.75066 numMergedOcc 0
60 mol 266 unq 1 iso 0 dist 9.35293 10.858 8.20376 12.15 8.25286 3.14784 14.8334 9.9965 5.95721 3.00605 numMergedOcc 0
61 mol 266 unq 1 iso 1 dist 9.35293 10.858 8.20376 14.8334 9.9965 5.95721 12.15 8.25286 3.14784 3.00605 numMergedOcc 0
62 mol 266 unq 2 iso 0 dist 7.93375 7.54309 8.20376 3.87565 6.96692 3.68488 9.25882 8.25286 3.14784 5.76129 numMergedOcc 0
63 mol 266 unq 2 iso 1 dist 7.93375 7.54309 8.20376 9.25882 8.25286 3.14784 3.87565 6.96692 3.68488 5.76129 numMergedOcc 0
64 mol 266 unq 3 iso 0 dist 7.93375 7.54309 8.20376 3.87565 6.96692 3.68488 12.1357 9.9965 5.95721 8.75066 numMergedOcc 0
65 mol 266 unq 3 iso 1 dist 7.93375 7.54309 8.20376 12.1357 9.9965 5.95721 3.87565 6.96692 3.68488 8.75066 numMergedOcc 0
66 mol 266 unq 3 iso 0 dist 7.93375 7.54309 8.20376 9.25882 8.25286 3.14784 12.1357 9.9965 5.95721 3.00605 numMergedOcc 0
67 mol 266 unq 3 iso 1 dist 7.93375 7.54309 8.20376 12.1357 9.9965 5.95721 9.25882 8.25286 3.14784 3.00605 numMergedOcc 0
68 mol 285 unq 0 iso 0 dist 6.73396 6.01574 7.73438 7.01472 5.88958 10.5542 11.0045 7.78121 12.5361 4.87372 numMergedOcc 0
69 mol 285 unq 0 iso 1 dist 6.73396 6.01574 7.73438 11.0045 7.78121 12.5361 7.01472 5.88958 10.5542 4.87372 numMergedOcc 0
