0 mol 78 unq 0 iso 0 dist 9.53794 7.32064 16.4946 5.24136 14.0662 3.46043 numMergedOcc 0
1 mol 78 unq 0 iso 1 dist 9.53794 5.24136 14.0662 7.32064 16.4946 3.46043 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 9.53794 7.32064 16.4946 6.44687 10.1424 10.589 numMergedOcc 0
3 mol 78 unq 1 iso 1 dist 9.53794 6.44687 10.1424 7.32064 16.4946 10.589 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.53794 7.32064 16.4946 5.85007 13.583 8.2592 numMergedOcc 0
5 mol 78 unq 2 iso 1 dist 9.53794 5.85007 13.583 7.32064 16.4946 8.2592 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.53794 5.24136 14.0662 6.44687 10.1424 7.14539 numMergedOcc 0
7 mol 78 unq 1 iso 1 dist 9.53794 6.44687 10.1424 5.24136 14.0662 7.14539 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 9.53794 5.24136 14.0662 5.85007 13.583 8.20564 numMergedOcc 0
9 mol 78 unq 2 iso 1 dist 9.53794 5.85007 13.583 5.24136 14.0662 8.20564 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 9.53794 6.44687 10.1424 5.85007 13.583 11.4675 numMergedOcc 0
11 mol 78 unq 2 iso 1 dist 9.53794 5.85007 13.583 6.44687 10.1424 11.4675 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 9.84346 7.32064 13.8703 5.24136 13.4395 3.46043 numMergedOcc 0
13 mol 78 unq 3 iso 1 dist 9.84346 5.24136 13.4395 7.32064 13.8703 3.46043 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 9.84346 7.32064 13.8703 6.44687 14.488 10.589 numMergedOcc 0
15 mol 78 unq 4 iso 1 dist 9.84346 6.44687 14.488 7.32064 13.8703 10.589 numMergedOcc 0
16 mol 78 unq 5 iso 0 dist 9.84346 7.32064 13.8703 5.85007 11.9719 8.2592 numMergedOcc 0
17 mol 78 unq 5 iso 1 dist 9.84346 5.85007 11.9719 7.32064 13.8703 8.2592 numMergedOcc 0
18 mol 78 unq 4 iso 0 dist 9.84346 5.24136 13.4395 6.44687 14.488 7.14539 numMergedOcc 0
19 mol 78 unq 4 iso 1 dist 9.84346 6.44687 14.488 5.24136 13.4395 7.14539 numMergedOcc 0
20 mol 78 unq 5 iso 0 dist 9.84346 5.24136 13.4395 5.85007 11.9719 8.20564 numMergedOcc 0
21 mol 78 unq 5 iso 1 dist 9.84346 5.85007 11.9719 5.24136 13.4395 8.20564 numMergedOcc 0
22 mol 78 unq 5 iso 0 dist 9.84346 6.44687 14.488 5.85007 11.9719 11.4675 numMergedOcc 0
23 mol 78 unq 5 iso 1 dist 9.84346 5.85007 11.9719 6.44687 14.488 11.4675 numMergedOcc 0
24 mol 78 unq 6 iso 0 dist 9.46472 4.62314 13.8703 4.41745 13.4395 3.46043 numMergedOcc 0
25 mol 78 unq 6 iso 1 dist 9.46472 4.41745 13.4395 4.62314 13.8703 3.46043 numMergedOcc 0
26 mol 78 unq 7 iso 0 dist 9.46472 4.62314 13.8703 6.35234 11.9719 8.2592 numMergedOcc 0
27 mol 78 unq 7 iso 1 dist 9.46472 6.35234 11.9719 4.62314 13.8703 8.2592 numMergedOcc 0
28 mol 78 unq 7 iso 0 dist 9.46472 4.41745 13.4395 6.35234 11.9719 8.20564 numMergedOcc 0
29 mol 78 unq 7 iso 1 dist 9.46472 6.35234 11.9719 4.41745 13.4395 8.20564 numMergedOcc 0
30 mol 81 unq 0 iso 0 dist 5.96486 5.73799 3.71228 8.38883 7.58448 10.1134 numMergedOcc 0
31 mol 81 unq 0 iso 1 dist 5.96486 8.38883 7.58448 5.73799 3.71228 10.1134 numMergedOcc 0
32 mol 95 unq 0 iso 0 dist 8.36326 9.70292 10.1179 9.59704 11.97 9.43547 numMergedOcc 0
33 mol 95 unq 0 iso 1 dist 8.36326 9.59704 11.97 9.70292 10.1179 9.43547 numMergedOcc 0
34 mol 168 unq 0 iso 0 dist 9.76722 9.23064 9.43003 7.30338 8.01699 13.6611 numMergedOcc 0
35 mol 168 unq 0 iso 1 dist 9.76722 7.30338 8.01699 9.23064 9.43003 13.6611 numMergedOcc 0
36 mol 196 unq 0 iso 0 dist 8.86439 8.76076 12.519 4.36496 6.6569 7.12401 numMergedOcc 0
37 mol 196 unq 0 iso 1 dist 8.86439 4.36496 6.6569 8.76076 12.519 7.12401 numMergedOcc 0
38 mol 196 unq 1 iso 0 dist 8.86439 8.76076 12.519 7.34995 5.29359 13.9022 numMergedOcc 0
39 mol 196 unq 1 iso 1 dist 8.86439 7.34995 5.29359 8.76076 12.519 13.9022 numMergedOcc 0
40 mol 196 unq 1 iso 0 dist 8.86439 4.36496 6.6569 7.34995 5.29359 6.81108 numMergedOcc 0
41 mol 196 unq 1 iso 1 dist 8.86439 7.34995 5.29359 4.36496 6.6569 6.81108 numMergedOcc 0
42 mol 225 unq 0 iso 0 dist 8.99496 9.27308 3.90755 7.25438 11.662 9.25318 numMergedOcc 0
43 mol 225 unq 0 iso 1 dist 8.99496 7.25438 11.662 9.27308 3.90755 9.25318 numMergedOcc 0
44 mol 233 unq 0 iso 0 dist 7.74693 8.7831 4.98419 9.61071 7.08719 3.55463 numMergedOcc 0
45 mol 233 unq 0 iso 1 dist 7.74693 9.61071 7.08719 8.7831 4.98419 3.55463 numMergedOcc 0
46 mol 233 unq 1 iso 0 dist 7.74693 8.7831 4.98419 7.1229 10.7478 8.23358 numMergedOcc 0
47 mol 233 unq 1 iso 1 dist 7.74693 7.1229 10.7478 8.7831 4.98419 8.23358 numMergedOcc 0
48 mol 233 unq 1 iso 0 dist 7.74693 9.61071 7.08719 7.1229 10.7478 6.91967 numMergedOcc 0
49 mol 233 unq 1 iso 1 dist 7.74693 7.1229 10.7478 9.61071 7.08719 6.91967 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 5.30455 4.95855 6.09466 7.72489 7.9016 3.51848 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 5.30455 7.72489 7.9016 4.95855 6.09466 3.51848 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 7.34794 4.95855 5.49348 7.72489 5.13138 3.51848 numMergedOcc 0
53 mol 259 unq 1 iso 1 dist 7.34794 7.72489 5.13138 4.95855 5.49348 3.51848 numMergedOcc 0
54 mol 283 unq 0 iso 0 dist 8.36393 7.81241 5.14231 9.52445 4.25884 3.46787 numMergedOcc 0
55 mol 283 unq 0 iso 1 dist 8.36393 9.52445 4.25884 7.81241 5.14231 3.46787 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 8.12306 8.69325 7.22841 5.09181 6.01574 6.22779 numMergedOcc 0
57 mol 285 unq 0 iso 1 dist 8.12306 5.09181 6.01574 8.69325 7.22841 6.22779 numMergedOcc 0
