0 mol 7 unq 0 iso 0 dist 7.11539 8.50044 14.3765 6.44558 6.14469 10.0629 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.52857 6.6691 13.5371 10.1802 5.76024 15.9459 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.52857 6.6691 13.5371 11.8349 7.92714 17.9512 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.52857 6.6691 13.5371 13.1322 8.47217 17.0976 numMergedOcc 0
4 mol 12 unq 3 iso 0 dist 9.52857 9.23807 13.0686 10.1802 5.76024 16.5186 numMergedOcc 0
5 mol 12 unq 4 iso 0 dist 9.52857 9.23807 13.0686 11.8349 7.92714 19.0855 numMergedOcc 0
6 mol 12 unq 5 iso 0 dist 9.52857 9.23807 13.0686 13.1322 8.47217 16.4151 numMergedOcc 0
7 mol 17 unq 0 iso 0 dist 7.8304 5.74567 7.31113 4.47542 7.25951 7.92012 numMergedOcc 0
8 mol 17 unq 1 iso 0 dist 5.74567 7.8304 7.31113 4.47542 7.92012 7.25951 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.72627 7.68741 6.70789 4.39227 8.03296 5.82754 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 5.72627 7.68741 6.70789 8.32896 9.26979 9.05679 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 5.72627 9.86085 7.15067 4.39227 8.03296 10.0459 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 5.72627 9.86085 7.15067 8.32896 9.26979 13.9817 numMergedOcc 0
13 mol 79 unq 4 iso 0 dist 5.72627 9.76351 7.7277 4.39227 8.03296 8.87742 numMergedOcc 0
14 mol 79 unq 5 iso 0 dist 5.72627 9.76351 7.7277 8.32896 9.26979 4.93468 numMergedOcc 0
15 mol 79 unq 6 iso 0 dist 7.68741 5.72627 6.70789 4.39227 5.82754 8.03296 numMergedOcc 0
16 mol 79 unq 7 iso 0 dist 7.68741 5.72627 6.70789 8.32896 9.05679 9.26979 numMergedOcc 0
17 mol 79 unq 8 iso 0 dist 7.68741 9.86085 5.79604 4.39227 5.82754 10.0459 numMergedOcc 0
18 mol 79 unq 9 iso 0 dist 7.68741 9.86085 5.79604 8.32896 9.05679 13.9817 numMergedOcc 0
19 mol 79 unq 10 iso 0 dist 7.68741 9.76351 7.2005 4.39227 5.82754 8.87742 numMergedOcc 0
20 mol 79 unq 11 iso 0 dist 7.68741 9.76351 7.2005 8.32896 9.05679 4.93468 numMergedOcc 0
21 mol 79 unq 12 iso 0 dist 9.76351 5.72627 7.7277 16.5814 9.78384 16.7587 numMergedOcc 0
22 mol 79 unq 13 iso 0 dist 9.76351 5.72627 7.7277 4.39227 8.87742 8.03296 numMergedOcc 0
23 mol 79 unq 14 iso 0 dist 9.76351 5.72627 7.7277 8.32896 4.93468 9.26979 numMergedOcc 0
24 mol 79 unq 15 iso 0 dist 9.76351 7.68741 7.2005 16.5814 9.78384 15.6918 numMergedOcc 0
25 mol 79 unq 16 iso 0 dist 9.76351 7.68741 7.2005 4.39227 8.87742 5.82754 numMergedOcc 0
26 mol 79 unq 17 iso 0 dist 9.76351 7.68741 7.2005 8.32896 4.93468 9.05679 numMergedOcc 0
27 mol 79 unq 18 iso 0 dist 9.76351 9.86085 11.4869 16.5814 9.78384 20.9232 numMergedOcc 0
28 mol 79 unq 19 iso 0 dist 9.76351 9.86085 11.4869 4.39227 8.87742 10.0459 numMergedOcc 0
29 mol 79 unq 20 iso 0 dist 9.76351 9.86085 11.4869 8.32896 4.93468 13.9817 numMergedOcc 0
30 mol 125 unq 0 iso 0 dist 9.94322 9.7728 4.38093 6.67445 6.11502 6.33431 numMergedOcc 0
31 mol 125 unq 1 iso 0 dist 9.7728 9.94322 4.38093 6.67445 6.33431 6.11502 numMergedOcc 0
32 mol 125 unq 2 iso 0 dist 8.35871 6.75122 4.38093 8.12341 6.11502 6.33431 numMergedOcc 0
33 mol 125 unq 3 iso 0 dist 6.75122 8.35871 4.38093 8.12341 6.33431 6.11502 numMergedOcc 0
34 mol 128 unq 0 iso 0 dist 9.05678 8.73383 10.8727 7.14818 7.48321 10.8772 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 8.81111 5.66405 6.59975 11.3783 6.75376 9.10042 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 5.66405 8.81111 6.59975 11.3783 9.10042 6.75376 numMergedOcc 0
37 mol 141 unq 2 iso 0 dist 5.66405 8.81111 6.59975 11.1002 9.75059 10.215 numMergedOcc 0
38 mol 141 unq 3 iso 0 dist 5.66405 8.81111 6.59975 5.63251 6.83404 12.514 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 8.75305 5.13522 6.12113 5.6621 8.21184 5.9976 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 8.75305 5.13522 6.12113 6.65278 5.41575 6.86566 numMergedOcc 0
41 mol 156 unq 2 iso 0 dist 5.13522 8.75305 6.12113 5.6621 5.9976 8.21184 numMergedOcc 0
42 mol 156 unq 3 iso 0 dist 5.13522 8.75305 6.12113 6.65278 6.86566 5.41575 numMergedOcc 0
43 mol 162 unq 0 iso 0 dist 5.99212 9.00731 5.76082 6.27876 9.7361 14.0568 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 9.2933 8.77781 9.53592 5.10499 7.22883 11.8112 numMergedOcc 0
45 mol 192 unq 0 iso 0 dist 8.14859 8.29166 13.9837 14.4054 8.26288 18.2529 numMergedOcc 0
46 mol 192 unq 1 iso 0 dist 8.14859 8.29166 13.9837 9.72372 6.60053 17.0613 numMergedOcc 0
47 mol 192 unq 2 iso 0 dist 8.14859 5.62421 4.20321 14.4054 8.26288 10.5991 numMergedOcc 0
48 mol 192 unq 3 iso 0 dist 8.14859 5.62421 4.20321 9.72372 6.60053 9.36796 numMergedOcc 0
49 mol 192 unq 4 iso 0 dist 5.62421 8.29166 9.92978 9.72372 9.36796 17.0613 numMergedOcc 0
50 mol 192 unq 5 iso 0 dist 5.62421 8.14859 4.20321 9.72372 9.36796 6.60053 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 6.80544 9.49129 6.25098 4.04422 5.92374 10.6756 numMergedOcc 0
52 mol 273 unq 0 iso 0 dist 9.16554 8.83491 9.36595 11.4694 7.16346 14.9622 numMergedOcc 0
