0 mol 43 unq 0 iso 0 dist 9.76585 6.95983 8.84944 8.34053 5.51659 4.64937 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.76585 11.3999 7.21995 8.34053 5.51659 7.95541 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 7.50273 8.80801 6.39496 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.14072 9.90363 5.06188 7.34462 8.5859 6.47086 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.82294 7.89444 5.66803 11.1294 7.03264 10.8544 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.82294 18.0124 8.85416 11.1294 7.03264 10.8964 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.9268 8.75242 5.79195 4.58564 6.00667 7.72261 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 6.9268 8.75242 5.79195 11.647 8.00919 4.27464 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 6.9268 14.0828 9.2759 4.58564 6.00667 15.0617 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 6.9268 14.0828 9.2759 11.647 8.00919 14.8239 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 6.9268 15.4372 8.76088 4.58564 6.00667 13.0543 numMergedOcc 0
11 mol 133 unq 5 iso 0 dist 6.9268 15.4372 8.76088 11.647 8.00919 8.08082 numMergedOcc 0
12 mol 133 unq 6 iso 0 dist 8.19166 6.45333 5.79195 9.97131 6.00667 7.72261 numMergedOcc 0
13 mol 133 unq 7 iso 0 dist 8.19166 6.45333 5.79195 10.6876 8.00919 4.27464 numMergedOcc 0
14 mol 133 unq 8 iso 0 dist 8.19166 11.5586 9.2759 9.97131 6.00667 15.0617 numMergedOcc 0
15 mol 133 unq 9 iso 0 dist 8.19166 11.5586 9.2759 10.6876 8.00919 14.8239 numMergedOcc 0
16 mol 133 unq 10 iso 0 dist 8.19166 14.3705 8.76088 9.97131 6.00667 13.0543 numMergedOcc 0
17 mol 133 unq 11 iso 0 dist 8.19166 14.3705 8.76088 10.6876 8.00919 8.08082 numMergedOcc 0
18 mol 139 unq 0 iso 0 dist 9.71665 5.61614 9.70154 7.41954 8.66615 10.5769 numMergedOcc 0
19 mol 139 unq 1 iso 0 dist 9.71665 4.94393 8.78382 7.41954 8.66615 6.5333 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.66811 7.14779 9.65031 4.36844 6.89622 5.05633 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 9.66811 9.85198 8.51844 4.36844 6.89622 6.97725 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 8.57666 10.4645 7.03107 7.44933 5.25888 4.44885 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 8.57666 6.623 7.30813 7.44933 5.25888 4.81365 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 7.67623 10.7145 8.29364 4.79561 6.0033 6.26917 numMergedOcc 0
25 mol 183 unq 1 iso 0 dist 7.67623 10.7145 8.29364 12.6794 9.51612 9.55477 numMergedOcc 0
26 mol 183 unq 2 iso 0 dist 7.99897 4.0252 8.29364 5.24909 6.0033 6.26917 numMergedOcc 0
27 mol 183 unq 3 iso 0 dist 7.99897 4.0252 8.29364 12.1535 9.51612 9.55477 numMergedOcc 0
28 mol 183 unq 4 iso 0 dist 7.58913 5.66126 8.29364 5.7389 6.0033 6.26917 numMergedOcc 0
29 mol 183 unq 5 iso 0 dist 7.58913 5.66126 8.29364 4.07773 9.51612 9.55477 numMergedOcc 0
30 mol 183 unq 6 iso 0 dist 6.0782 5.66126 8.97652 5.7389 9.01322 6.26917 numMergedOcc 0
31 mol 183 unq 7 iso 0 dist 6.0782 5.66126 8.97652 4.07773 5.89091 9.55477 numMergedOcc 0
32 mol 195 unq 0 iso 0 dist 9.04342 4.03375 5.61326 6.6228 6.77515 6.15002 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 7.08083 6.46773 4.36421 5.32039 9.16249 6.3445 numMergedOcc 0
34 mol 233 unq 0 iso 0 dist 8.01777 12.4724 6.9103 9.75072 8.63219 6.41161 numMergedOcc 0
35 mol 250 unq 0 iso 0 dist 9.88044 7.15398 8.51703 9.21639 8.98805 11.7643 numMergedOcc 0
36 mol 250 unq 1 iso 0 dist 9.88044 6.13352 5.07895 9.21639 8.98805 5.64152 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 8.53084 4.80942 7.53199 9.04475 9.12231 5.02914 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 8.53084 11.0749 8.58092 9.04475 9.12231 5.52381 numMergedOcc 0
39 mol 258 unq 2 iso 0 dist 8.53084 5.81432 7.40014 9.04475 9.12231 6.0296 numMergedOcc 0
40 mol 258 unq 3 iso 0 dist 5.9223 10.1932 7.53199 11.6457 9.12231 5.02914 numMergedOcc 0
41 mol 258 unq 4 iso 0 dist 5.9223 9.26732 8.58092 11.6457 9.12231 5.52381 numMergedOcc 0
42 mol 258 unq 5 iso 0 dist 5.9223 6.72414 7.40014 11.6457 9.12231 6.0296 numMergedOcc 0
43 mol 265 unq 0 iso 0 dist 8.5774 7.53666 7.52632 12.963 9.74602 5.57706 numMergedOcc 0
44 mol 265 unq 1 iso 0 dist 9.94957 4.47698 7.52632 4.86847 9.74602 5.57706 numMergedOcc 0
45 mol 265 unq 2 iso 0 dist 8.01664 5.62902 7.52632 9.6804 9.74602 5.57706 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 4.0473 7.96955 9.54337 numMergedOcc 0
47 mol 266 unq 1 iso 0 dist 7.3055 14.487 9.39714 4.0473 7.96955 15.1918 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 7.3388 5.66584 6.96774 7.51649 8.05825 4.38561 numMergedOcc 0
49 mol 288 unq 0 iso 0 dist 7.3388 5.66584 6.96774 7.51649 8.05825 4.38561 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 7.3388 5.66584 6.96774 7.51649 8.05825 4.38561 numMergedOcc 0
