0 mol 10 unq 0 iso 0 dist 6.74091 7.75994 9.96463 8.12738 8.44792 15.5107 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.74091 7.75994 9.96463 4.06691 4.94198 8.34543 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 6.74091 7.75994 9.96463 10.1984 9.62353 5.06302 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 6.30807 11.2046 7.2159 9.29547 5.80534 5.09775 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 6.30807 8.40606 8.93093 9.29547 5.80534 5.46756 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 5.78968 4.72428 9.3913 3.86946 8.7531 5.47272 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 5.78968 4.72428 9.3913 10.4041 7.25138 12.5032 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.16558 5.23343 6.23298 7.68524 8.4702 11.6017 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.61468 5.71434 6.02034 13.4907 8.48827 13.1307 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 8.61468 5.71434 6.02034 10.4533 7.14048 10.7383 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 6.27186 5.71434 6.77808 13.4907 8.03895 13.1307 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 6.27186 5.71434 6.77808 10.4533 5.68873 10.7383 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.04935 13.9849 8.71103 8.47393 7.06029 8.14479 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.02644 5.17083 5.57712 5.74216 8.14427 10.2236 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 8.52947 5.38184 7.62629 10.8428 5.10693 7.08249 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 8.52947 5.38184 7.62629 12.1443 6.58814 8.37319 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 8.52947 5.38184 7.62629 6.46649 6.13459 9.47729 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 8.52947 5.38184 7.62629 7.18673 7.54391 8.88832 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 8.84466 13.2527 7.62629 13.6305 5.10693 7.08249 numMergedOcc 0
19 mol 93 unq 5 iso 0 dist 8.84466 13.2527 7.62629 14.1431 6.58814 8.37319 numMergedOcc 0
20 mol 93 unq 6 iso 0 dist 8.84466 13.2527 7.62629 3.99275 6.13459 9.47729 numMergedOcc 0
21 mol 93 unq 7 iso 0 dist 8.84466 13.2527 7.62629 6.46195 7.54391 8.88832 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 9.31927 4.23705 9.12964 5.90666 9.18784 7.47617 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 9.86691 5.48547 6.85651 5.27905 4.82356 3.75786 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 5.59311 7.75644 9.21256 4.88335 8.22722 11.2135 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 5.7232 7.75644 6.23615 4.88335 8.52036 11.2135 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 6.28769 5.54447 6.00651 7.56825 8.76449 6.99467 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 6.28769 5.54447 6.00651 5.56838 8.36182 4.53687 numMergedOcc 0
28 mol 147 unq 2 iso 0 dist 6.28769 3.87868 8.52428 7.56825 8.76449 10.4515 numMergedOcc 0
29 mol 147 unq 3 iso 0 dist 6.28769 3.87868 8.52428 5.56838 8.36182 9.02691 numMergedOcc 0
30 mol 151 unq 0 iso 0 dist 8.25396 9.10018 9.74969 5.81096 6.12972 4.17025 numMergedOcc 0
31 mol 183 unq 0 iso 0 dist 8.53483 5.85166 5.83335 13.7852 7.16035 9.54202 numMergedOcc 0
32 mol 183 unq 1 iso 0 dist 8.53483 5.85166 5.83335 9.09406 6.2675 4.96829 numMergedOcc 0
33 mol 183 unq 2 iso 0 dist 8.53483 18.0876 9.92635 13.7852 7.16035 10.7786 numMergedOcc 0
34 mol 183 unq 3 iso 0 dist 8.53483 18.0876 9.92635 9.09406 6.2675 14.145 numMergedOcc 0
35 mol 183 unq 4 iso 0 dist 8.58404 5.78444 5.83335 11.9399 7.16035 9.54202 numMergedOcc 0
36 mol 183 unq 5 iso 0 dist 8.58404 5.78444 5.83335 9.29513 6.2675 4.96829 numMergedOcc 0
37 mol 183 unq 6 iso 0 dist 8.58404 13.2035 9.92635 11.9399 7.16035 10.7786 numMergedOcc 0
38 mol 183 unq 7 iso 0 dist 8.58404 13.2035 9.92635 9.29513 6.2675 14.145 numMergedOcc 0
39 mol 183 unq 8 iso 0 dist 8.1126 5.7856 9.86506 11.9399 9.61725 16.7354 numMergedOcc 0
40 mol 183 unq 9 iso 0 dist 8.1126 5.7856 9.86506 9.29513 9.52042 13.683 numMergedOcc 0
41 mol 183 unq 10 iso 0 dist 8.1126 5.78444 7.86724 11.9399 9.61725 9.54202 numMergedOcc 0
42 mol 183 unq 11 iso 0 dist 8.1126 5.78444 7.86724 9.29513 9.52042 4.96829 numMergedOcc 0
43 mol 183 unq 12 iso 0 dist 8.1126 13.2035 7.85507 11.9399 9.61725 10.7786 numMergedOcc 0
44 mol 183 unq 13 iso 0 dist 8.1126 13.2035 7.85507 9.29513 9.52042 14.145 numMergedOcc 0
45 mol 243 unq 0 iso 0 dist 6.81644 8.07142 9.19579 5.38511 6.46793 12.5873 numMergedOcc 0
46 mol 269 unq 0 iso 0 dist 9.48928 5.57188 7.1068 9.80131 9.18157 4.41005 numMergedOcc 0
47 mol 294 unq 0 iso 0 dist 8.88961 7.11058 5.27236 11.7154 7.48987 4.99494 numMergedOcc 0
48 mol 294 unq 1 iso 0 dist 8.88961 7.11058 5.27236 9.30905 8.35637 9.15036 numMergedOcc 0
