0 mol 41 unq 0 iso 0 dist 9.0378 6.73446 9.59131 11.6011 8.0072 9.00425 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.24056 10.1729 9.47718 8.40922 8.55202 5.91159 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.40754 8.80305 9.53794 9.93158 7.32064 16.4946 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 6.40754 8.80305 9.53794 8.1899 5.24136 14.0662 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 6.40754 8.80305 9.53794 8.24003 6.44687 10.1424 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 6.40754 8.80305 9.53794 11.5941 5.85007 13.583 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 6.40754 7.75819 9.84346 9.93158 7.32064 13.8703 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 6.40754 7.75819 9.84346 8.1899 5.24136 13.4395 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 6.40754 7.75819 9.84346 8.24003 6.44687 14.488 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 6.40754 7.75819 9.84346 11.5941 5.85007 11.9719 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 6.47746 7.75819 9.46472 9.93158 4.62314 13.8703 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 6.47746 7.75819 9.46472 8.1899 4.41745 13.4395 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 6.47746 7.75819 9.46472 11.5941 6.35234 11.9719 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 7.04867 5.76324 9.53794 12.8321 7.32064 16.4946 numMergedOcc 0
14 mol 78 unq 12 iso 0 dist 7.04867 5.76324 9.53794 9.87985 5.24136 14.0662 numMergedOcc 0
15 mol 78 unq 13 iso 0 dist 7.04867 5.76324 9.53794 5.16521 6.44687 10.1424 numMergedOcc 0
16 mol 78 unq 14 iso 0 dist 7.04867 5.76324 9.53794 12.6325 5.85007 13.583 numMergedOcc 0
17 mol 78 unq 15 iso 0 dist 7.04867 11.1185 9.84346 12.8321 7.32064 13.8703 numMergedOcc 0
18 mol 78 unq 16 iso 0 dist 7.04867 11.1185 9.84346 9.87985 5.24136 13.4395 numMergedOcc 0
19 mol 78 unq 17 iso 0 dist 7.04867 11.1185 9.84346 5.16521 6.44687 14.488 numMergedOcc 0
20 mol 78 unq 18 iso 0 dist 7.04867 11.1185 9.84346 12.6325 5.85007 11.9719 numMergedOcc 0
21 mol 78 unq 19 iso 0 dist 6.50374 4.4986 9.53794 13.3381 7.32064 16.4946 numMergedOcc 0
22 mol 78 unq 20 iso 0 dist 6.50374 4.4986 9.53794 11.5375 5.24136 14.0662 numMergedOcc 0
23 mol 78 unq 21 iso 0 dist 6.50374 4.4986 9.53794 9.94415 6.44687 10.1424 numMergedOcc 0
24 mol 78 unq 22 iso 0 dist 6.50374 4.4986 9.53794 9.61131 5.85007 13.583 numMergedOcc 0
25 mol 78 unq 23 iso 0 dist 6.50374 6.70054 9.84346 13.3381 7.32064 13.8703 numMergedOcc 0
26 mol 78 unq 24 iso 0 dist 6.50374 6.70054 9.84346 11.5375 5.24136 13.4395 numMergedOcc 0
27 mol 78 unq 25 iso 0 dist 6.50374 6.70054 9.84346 9.94415 6.44687 14.488 numMergedOcc 0
28 mol 78 unq 26 iso 0 dist 6.50374 6.70054 9.84346 9.61131 5.85007 11.9719 numMergedOcc 0
29 mol 78 unq 27 iso 0 dist 8.92691 6.70054 9.46472 13.3381 4.62314 13.8703 numMergedOcc 0
30 mol 78 unq 28 iso 0 dist 8.92691 6.70054 9.46472 11.5375 4.41745 13.4395 numMergedOcc 0
31 mol 78 unq 29 iso 0 dist 8.92691 6.70054 9.46472 9.61131 6.35234 11.9719 numMergedOcc 0
32 mol 83 unq 0 iso 0 dist 7.66384 11.7871 7.97999 10.3518 7.84642 3.72263 numMergedOcc 0
33 mol 95 unq 0 iso 0 dist 7.56534 13.1033 8.36326 9.58465 9.70292 10.1179 numMergedOcc 0
34 mol 95 unq 1 iso 0 dist 7.56534 13.1033 8.36326 4.62357 9.59704 11.97 numMergedOcc 0
35 mol 169 unq 0 iso 0 dist 6.54331 9.19866 8.44483 3.90092 6.00783 8.55252 numMergedOcc 0
36 mol 169 unq 1 iso 0 dist 6.54331 8.85647 9.79864 3.90092 6.00783 5.37021 numMergedOcc 0
37 mol 169 unq 2 iso 0 dist 6.54331 11.1002 9.73241 3.90092 6.00783 8.90362 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 6.78221 10.9773 8.86439 4.51152 8.76076 12.519 numMergedOcc 0
39 mol 196 unq 1 iso 0 dist 6.78221 10.9773 8.86439 4.57223 4.36496 6.6569 numMergedOcc 0
40 mol 196 unq 2 iso 0 dist 6.78221 10.9773 8.86439 10.9728 7.34995 5.29359 numMergedOcc 0
41 mol 196 unq 3 iso 0 dist 8.80251 9.56058 8.86439 8.21692 8.76076 12.519 numMergedOcc 0
42 mol 196 unq 4 iso 0 dist 8.80251 9.56058 8.86439 8.44723 4.36496 6.6569 numMergedOcc 0
43 mol 196 unq 5 iso 0 dist 8.80251 9.56058 8.86439 12.5062 7.34995 5.29359 numMergedOcc 0
44 mol 196 unq 6 iso 0 dist 4.95396 5.37934 8.86439 9.94384 8.76076 12.519 numMergedOcc 0
45 mol 196 unq 7 iso 0 dist 4.95396 5.37934 8.86439 5.20273 4.36496 6.6569 numMergedOcc 0
46 mol 196 unq 8 iso 0 dist 4.95396 5.37934 8.86439 6.65683 7.34995 5.29359 numMergedOcc 0
47 mol 196 unq 9 iso 0 dist 7.1099 12.406 8.86439 11.5688 8.76076 12.519 numMergedOcc 0
48 mol 196 unq 10 iso 0 dist 7.1099 12.406 8.86439 10.2537 4.36496 6.6569 numMergedOcc 0
49 mol 196 unq 11 iso 0 dist 7.1099 12.406 8.86439 12.4444 7.34995 5.29359 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 6.98119 4.26087 5.29561 8.44571 9.85909 6.05991 numMergedOcc 0
51 mol 232 unq 1 iso 0 dist 6.98119 8.43971 9.16638 8.44571 9.85909 15.9224 numMergedOcc 0
52 mol 233 unq 0 iso 0 dist 9.63246 3.81516 7.74693 6.78907 8.7831 4.98419 numMergedOcc 0
53 mol 233 unq 1 iso 0 dist 9.63246 3.81516 7.74693 9.89249 9.61071 7.08719 numMergedOcc 0
54 mol 233 unq 2 iso 0 dist 9.63246 3.81516 7.74693 13.3008 7.1229 10.7478 numMergedOcc 0
55 mol 266 unq 0 iso 0 dist 5.19666 5.75486 5.43053 6.48184 9.29745 9.31454 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 5.57053 6.5189 8.12306 5.36963 8.69325 7.22841 numMergedOcc 0
57 mol 285 unq 1 iso 0 dist 5.57053 6.5189 8.12306 6.62906 5.09181 6.01574 numMergedOcc 0
