0 mol 26 unq 0 iso 0 dist 9.15677 14.8485 7.34549 12.9455 7.98005 8.82979 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 14.8485 7.34549 14.2359 8.31381 3.63999 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.15677 16.9454 8.09068 12.9455 7.98005 12.3884 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.15677 16.9454 8.09068 14.2359 8.31381 11.7163 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.15677 17.4951 9.72289 12.9455 7.98005 15.7944 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 9.15677 17.4951 9.72289 14.2359 8.31381 13.5789 numMergedOcc 0
6 mol 26 unq 6 iso 0 dist 9.61029 11.9913 7.34549 5.34406 7.98005 8.82979 numMergedOcc 0
7 mol 26 unq 7 iso 0 dist 9.61029 11.9913 7.34549 11.3355 8.31381 3.63999 numMergedOcc 0
8 mol 26 unq 8 iso 0 dist 9.61029 11.6671 8.09068 5.34406 7.98005 12.3884 numMergedOcc 0
9 mol 26 unq 9 iso 0 dist 9.61029 11.6671 8.09068 11.3355 8.31381 11.7163 numMergedOcc 0
10 mol 26 unq 10 iso 0 dist 9.61029 15.9266 9.72289 5.34406 7.98005 15.7944 numMergedOcc 0
11 mol 26 unq 11 iso 0 dist 9.61029 15.9266 9.72289 11.3355 8.31381 13.5789 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 6.27528 7.65009 9.37524 4.29847 9.83836 6.94096 numMergedOcc 0
13 mol 69 unq 1 iso 0 dist 6.27528 7.65009 9.37524 8.0664 9.58351 4.54109 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 7.80757 5.53214 9.45835 13.7086 7.91148 13.4907 numMergedOcc 0
15 mol 78 unq 1 iso 0 dist 7.80757 5.53214 9.45835 10.9209 6.59794 10.4533 numMergedOcc 0
16 mol 78 unq 2 iso 0 dist 7.80757 5.53214 9.45835 15.7494 8.34957 16.0314 numMergedOcc 0
17 mol 78 unq 3 iso 0 dist 9.2835 14.7492 9.45835 12.7015 7.91148 13.4907 numMergedOcc 0
18 mol 78 unq 4 iso 0 dist 9.2835 14.7492 9.45835 12.9102 6.59794 10.4533 numMergedOcc 0
19 mol 78 unq 5 iso 0 dist 9.2835 14.7492 9.45835 10.2933 8.34957 16.0314 numMergedOcc 0
20 mol 78 unq 6 iso 0 dist 5.02591 10.6915 9.45835 11.1086 7.91148 13.4907 numMergedOcc 0
21 mol 78 unq 7 iso 0 dist 5.02591 10.6915 9.45835 10.2834 6.59794 10.4533 numMergedOcc 0
22 mol 78 unq 8 iso 0 dist 5.02591 10.6915 9.45835 10.0935 8.34957 16.0314 numMergedOcc 0
23 mol 110 unq 0 iso 0 dist 6.59361 7.35494 8.1306 3.32173 9.10911 9.44658 numMergedOcc 0
24 mol 122 unq 0 iso 0 dist 5.09114 11.2576 8.054 4.92712 4.42563 10.2953 numMergedOcc 0
25 mol 123 unq 0 iso 0 dist 8.87148 6.90284 9.99727 8.75597 8.111 3.61945 numMergedOcc 0
26 mol 123 unq 1 iso 0 dist 9.26057 4.43198 9.99727 6.36283 8.111 3.61945 numMergedOcc 0
27 mol 127 unq 0 iso 0 dist 9.79448 7.11155 8.09965 10.4591 5.39356 5.12492 numMergedOcc 0
28 mol 127 unq 1 iso 0 dist 9.79448 7.11155 8.09965 12.2845 9.92746 9.6877 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 4.93984 7.78944 9.21386 7.95112 9.86868 7.52035 numMergedOcc 0
30 mol 167 unq 1 iso 0 dist 4.93984 7.78944 9.21386 4.03388 6.83528 5.95451 numMergedOcc 0
31 mol 196 unq 0 iso 0 dist 6.60651 10.2953 7.84536 7.94541 4.67869 5.97525 numMergedOcc 0
32 mol 196 unq 1 iso 0 dist 6.60651 11.554 7.07723 7.94541 4.67869 4.22321 numMergedOcc 0
33 mol 196 unq 2 iso 0 dist 6.60651 6.29554 6.40064 7.94541 4.67869 3.9465 numMergedOcc 0
34 mol 198 unq 0 iso 0 dist 5.80867 7.54337 9.98332 6.36333 6.77156 7.79482 numMergedOcc 0
35 mol 198 unq 1 iso 0 dist 5.80867 7.54337 9.98332 3.69483 7.97894 8.97088 numMergedOcc 0
36 mol 198 unq 2 iso 0 dist 5.80867 7.54337 9.98332 9.0575 8.08471 15.9886 numMergedOcc 0
37 mol 198 unq 3 iso 0 dist 9.4363 17.0845 9.98332 13.9439 6.77156 7.79482 numMergedOcc 0
38 mol 198 unq 4 iso 0 dist 9.4363 17.0845 9.98332 11.1303 7.97894 8.97088 numMergedOcc 0
39 mol 198 unq 5 iso 0 dist 9.4363 17.0845 9.98332 5.89703 8.08471 15.9886 numMergedOcc 0
40 mol 206 unq 0 iso 0 dist 8.59262 8.99076 7.51923 11.326 6.23183 5.69659 numMergedOcc 0
41 mol 213 unq 0 iso 0 dist 6.82185 7.67515 7.22234 7.38644 8.82761 12.1593 numMergedOcc 0
42 mol 213 unq 1 iso 0 dist 6.82185 6.97521 5.86501 7.38644 8.82761 12.8419 numMergedOcc 0
43 mol 213 unq 2 iso 0 dist 6.82881 7.67515 8.48081 7.85961 9.09354 5.16198 numMergedOcc 0
44 mol 213 unq 3 iso 0 dist 6.82881 7.67515 8.48081 7.38644 4.66576 12.1593 numMergedOcc 0
45 mol 265 unq 0 iso 0 dist 5.81421 10.6585 7.83102 3.55274 9.28128 13.3937 numMergedOcc 0
