0 mol 4 unq 0 iso 0 dist 7.06429 8.24634 7.14866 9.16617 5.50517 10.6506 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 7.06429 9.16617 5.50517 8.24634 7.14866 10.6506 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 7.06429 8.24634 7.14866 8.87255 4.73956 11.7391 numMergedOcc 0
3 mol 4 unq 1 iso 1 dist 7.06429 8.87255 4.73956 8.24634 7.14866 11.7391 numMergedOcc 0
4 mol 4 unq 1 iso 0 dist 7.06429 9.16617 5.50517 8.87255 4.73956 6.49264 numMergedOcc 0
5 mol 4 unq 1 iso 1 dist 7.06429 8.87255 4.73956 9.16617 5.50517 6.49264 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 9.80484 8.64915 12.643 8.17347 11.2964 5.43306 numMergedOcc 0
7 mol 9 unq 0 iso 1 dist 9.80484 8.17347 11.2964 8.64915 12.643 5.43306 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 9.80484 8.64915 12.643 7.83133 9.00843 11.3401 numMergedOcc 0
9 mol 9 unq 1 iso 1 dist 9.80484 7.83133 9.00843 8.64915 12.643 11.3401 numMergedOcc 0
10 mol 9 unq 1 iso 0 dist 9.80484 8.17347 11.2964 7.83133 9.00843 6.8386 numMergedOcc 0
11 mol 9 unq 1 iso 1 dist 9.80484 7.83133 9.00843 8.17347 11.2964 6.8386 numMergedOcc 0
12 mol 20 unq 0 iso 0 dist 7.16149 7.51452 3.61632 6.03547 4.32143 6.92904 numMergedOcc 0
13 mol 20 unq 0 iso 1 dist 7.16149 6.03547 4.32143 7.51452 3.61632 6.92904 numMergedOcc 0
14 mol 20 unq 1 iso 0 dist 9.4228 6.09764 7.3057 9.20198 13.0142 6.05053 numMergedOcc 0
15 mol 20 unq 1 iso 1 dist 9.4228 9.20198 13.0142 6.09764 7.3057 6.05053 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 6.07553 8.60554 11.3314 8.44664 7.262 14.1496 numMergedOcc 0
17 mol 24 unq 0 iso 1 dist 6.07553 8.44664 7.262 8.60554 11.3314 14.1496 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 6.07553 8.60554 11.3314 9.44691 13.1723 9.62033 numMergedOcc 0
19 mol 24 unq 1 iso 1 dist 6.07553 9.44691 13.1723 8.60554 11.3314 9.62033 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 6.07553 8.44664 7.262 9.44691 13.1723 10.4263 numMergedOcc 0
21 mol 24 unq 1 iso 1 dist 6.07553 9.44691 13.1723 8.44664 7.262 10.4263 numMergedOcc 0
22 mol 24 unq 2 iso 0 dist 8.80127 8.4051 3.4435 8.23446 12.6622 14.1082 numMergedOcc 0
23 mol 24 unq 2 iso 1 dist 8.80127 8.23446 12.6622 8.4051 3.4435 14.1082 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 8.80127 8.4051 3.4435 8.75662 7.63657 9.62033 numMergedOcc 0
25 mol 24 unq 3 iso 1 dist 8.80127 8.75662 7.63657 8.4051 3.4435 9.62033 numMergedOcc 0
26 mol 24 unq 3 iso 0 dist 8.80127 8.23446 12.6622 8.75662 7.63657 11.342 numMergedOcc 0
27 mol 24 unq 3 iso 1 dist 8.80127 8.75662 7.63657 8.23446 12.6622 11.342 numMergedOcc 0
28 mol 24 unq 4 iso 0 dist 6.48457 8.60554 3.4435 8.44664 12.7748 14.1496 numMergedOcc 0
29 mol 24 unq 4 iso 1 dist 6.48457 8.44664 12.7748 8.60554 3.4435 14.1496 numMergedOcc 0
30 mol 24 unq 5 iso 0 dist 6.48457 8.60554 3.4435 9.44691 7.63657 9.62033 numMergedOcc 0
31 mol 24 unq 5 iso 1 dist 6.48457 9.44691 7.63657 8.60554 3.4435 9.62033 numMergedOcc 0
32 mol 24 unq 5 iso 0 dist 6.48457 8.44664 12.7748 9.44691 7.63657 10.4263 numMergedOcc 0
33 mol 24 unq 5 iso 1 dist 6.48457 9.44691 7.63657 8.44664 12.7748 10.4263 numMergedOcc 0
34 mol 68 unq 0 iso 0 dist 7.09757 7.26024 3.72006 6.36086 5.2359 6.00618 numMergedOcc 0
35 mol 68 unq 0 iso 1 dist 7.09757 6.36086 5.2359 7.26024 3.72006 6.00618 numMergedOcc 0
36 mol 113 unq 0 iso 0 dist 5.94552 8.8822 13.1665 9.66219 12.3067 4.09459 numMergedOcc 0
37 mol 113 unq 0 iso 1 dist 5.94552 9.66219 12.3067 8.8822 13.1665 4.09459 numMergedOcc 0
38 mol 126 unq 0 iso 0 dist 9.65888 6.29233 10.3153 5.42406 6.73369 4.32209 numMergedOcc 0
39 mol 126 unq 0 iso 1 dist 9.65888 5.42406 6.73369 6.29233 10.3153 4.32209 numMergedOcc 0
40 mol 182 unq 0 iso 0 dist 9.07173 6.73956 9.39191 7.09394 3.6277 6.27728 numMergedOcc 0
41 mol 182 unq 0 iso 1 dist 9.07173 7.09394 3.6277 6.73956 9.39191 6.27728 numMergedOcc 0
42 mol 206 unq 0 iso 0 dist 9.73419 6.16414 7.87274 7.33701 12.04 6.46458 numMergedOcc 0
43 mol 206 unq 0 iso 1 dist 9.73419 7.33701 12.04 6.16414 7.87274 6.46458 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 9.73419 6.16414 7.87274 8.0871 15.182 9.9892 numMergedOcc 0
45 mol 206 unq 1 iso 1 dist 9.73419 8.0871 15.182 6.16414 7.87274 9.9892 numMergedOcc 0
46 mol 206 unq 1 iso 0 dist 9.73419 7.33701 12.04 8.0871 15.182 4.38701 numMergedOcc 0
47 mol 206 unq 1 iso 1 dist 9.73419 8.0871 15.182 7.33701 12.04 4.38701 numMergedOcc 0
48 mol 206 unq 2 iso 0 dist 9.99824 6.16414 6.55611 7.33701 7.22859 6.46458 numMergedOcc 0
49 mol 206 unq 2 iso 1 dist 9.99824 7.33701 7.22859 6.16414 6.55611 6.46458 numMergedOcc 0
50 mol 206 unq 3 iso 0 dist 9.99824 6.16414 6.55611 8.0871 9.80396 9.9892 numMergedOcc 0
51 mol 206 unq 3 iso 1 dist 9.99824 8.0871 9.80396 6.16414 6.55611 9.9892 numMergedOcc 0
52 mol 206 unq 3 iso 0 dist 9.99824 7.33701 7.22859 8.0871 9.80396 4.38701 numMergedOcc 0
53 mol 206 unq 3 iso 1 dist 9.99824 8.0871 9.80396 7.33701 7.22859 4.38701 numMergedOcc 0
54 mol 222 unq 0 iso 0 dist 8.36659 7.67576 5.5933 9.82371 10.9135 11.3283 numMergedOcc 0
55 mol 222 unq 0 iso 1 dist 8.36659 9.82371 10.9135 7.67576 5.5933 11.3283 numMergedOcc 0
56 mol 222 unq 1 iso 0 dist 9.18913 7.67576 13.2849 9.82371 14.5433 11.3283 numMergedOcc 0
57 mol 222 unq 1 iso 1 dist 9.18913 9.82371 14.5433 7.67576 13.2849 11.3283 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 9.18589 6.30154 14.0878 7.32499 11.7131 10.0708 numMergedOcc 0
59 mol 234 unq 0 iso 1 dist 9.18589 7.32499 11.7131 6.30154 14.0878 10.0708 numMergedOcc 0
