0 mol 11 unq 0 iso 0 dist 5.95165 10.5071 8.68293 9.80646 6.84216 14.8738 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.95165 9.80646 6.84216 10.5071 8.68293 14.8738 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.7435 9.79134 8.01262 8.98102 6.58046 13.3327 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 5.7435 8.98102 6.58046 9.79134 8.01262 13.3327 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.7522 3.30063 7.98005 8.44515 8.31381 6.92384 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 9.7522 8.44515 8.31381 3.30063 7.98005 6.92384 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.23023 15.9532 7.91148 14.6188 6.59794 3.24688 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 9.23023 14.6188 6.59794 15.9532 7.91148 3.24688 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.23023 15.9532 7.91148 15.1992 8.34957 4.60796 numMergedOcc 0
9 mol 78 unq 1 iso 1 dist 9.23023 15.1992 8.34957 15.9532 7.91148 4.60796 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.23023 14.6188 6.59794 15.1992 8.34957 7.19832 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 9.23023 15.1992 8.34957 14.6188 6.59794 7.19832 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.72689 3.48087 9.07128 10.0091 6.65615 7.57886 numMergedOcc 0
13 mol 88 unq 0 iso 1 dist 9.72689 10.0091 6.65615 3.48087 9.07128 7.57886 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 7.74197 12.4888 9.07128 6.15983 6.65615 7.57886 numMergedOcc 0
15 mol 88 unq 1 iso 1 dist 7.74197 6.15983 6.65615 12.4888 9.07128 7.57886 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.35636 3.98588 8.11702 12.1455 7.44558 9.99088 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 8.35636 12.1455 7.44558 3.98588 8.11702 9.99088 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 8.89481 5.96967 7.02367 7.52951 9.30832 10.8127 numMergedOcc 0
19 mol 113 unq 0 iso 1 dist 8.89481 7.52951 9.30832 5.96967 7.02367 10.8127 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 7.04864 4.74539 6.42623 11.4443 8.95899 8.68088 numMergedOcc 0
21 mol 120 unq 0 iso 1 dist 7.04864 11.4443 8.95899 4.74539 6.42623 8.68088 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 9.28278 3.54691 7.97548 5.56761 9.64164 5.83342 numMergedOcc 0
23 mol 129 unq 0 iso 1 dist 9.28278 5.56761 9.64164 3.54691 7.97548 5.83342 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 9.63873 14.9742 9.90947 13.5948 8.16252 3.25368 numMergedOcc 0
25 mol 163 unq 0 iso 1 dist 9.63873 13.5948 8.16252 14.9742 9.90947 3.25368 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 8.14096 3.86842 9.86868 7.27404 6.83528 9.71457 numMergedOcc 0
27 mol 167 unq 0 iso 1 dist 8.14096 7.27404 6.83528 3.86842 9.86868 9.71457 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 8.43038 13.2021 9.86868 3.92405 6.83528 9.71457 numMergedOcc 0
29 mol 167 unq 1 iso 1 dist 8.43038 3.92405 6.83528 13.2021 9.86868 9.71457 numMergedOcc 0
30 mol 167 unq 2 iso 0 dist 9.87966 15.8191 9.86868 6.18329 6.83528 9.71457 numMergedOcc 0
31 mol 167 unq 2 iso 1 dist 9.87966 6.18329 6.83528 15.8191 9.86868 9.71457 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 8.5119 6.03974 6.1896 8.65933 6.09255 6.94905 numMergedOcc 0
33 mol 218 unq 0 iso 1 dist 8.5119 8.65933 6.09255 6.03974 6.1896 6.94905 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 8.91612 9.82989 8.94786 10.2284 9.1927 6.8233 numMergedOcc 0
35 mol 253 unq 0 iso 1 dist 8.91612 10.2284 9.1927 9.82989 8.94786 6.8233 numMergedOcc 0
36 mol 253 unq 1 iso 0 dist 8.91612 9.82989 8.94786 9.31054 9.60694 15.2509 numMergedOcc 0
37 mol 253 unq 1 iso 1 dist 8.91612 9.31054 9.60694 9.82989 8.94786 15.2509 numMergedOcc 0
38 mol 253 unq 2 iso 0 dist 8.91612 9.82989 8.94786 13.0515 9.27311 17.0369 numMergedOcc 0
39 mol 253 unq 2 iso 1 dist 8.91612 13.0515 9.27311 9.82989 8.94786 17.0369 numMergedOcc 0
40 mol 253 unq 1 iso 0 dist 8.91612 10.2284 9.1927 9.31054 9.60694 11.5519 numMergedOcc 0
41 mol 253 unq 1 iso 1 dist 8.91612 9.31054 9.60694 10.2284 9.1927 11.5519 numMergedOcc 0
42 mol 253 unq 2 iso 0 dist 8.91612 10.2284 9.1927 13.0515 9.27311 13.6905 numMergedOcc 0
43 mol 253 unq 2 iso 1 dist 8.91612 13.0515 9.27311 10.2284 9.1927 13.6905 numMergedOcc 0
44 mol 253 unq 2 iso 0 dist 8.91612 9.31054 9.60694 13.0515 9.27311 5.35859 numMergedOcc 0
45 mol 253 unq 2 iso 1 dist 8.91612 13.0515 9.27311 9.31054 9.60694 5.35859 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 9.12507 10.6139 9.18798 9.58753 8.25897 4.6865 numMergedOcc 0
47 mol 259 unq 0 iso 1 dist 9.12507 9.58753 8.25897 10.6139 9.18798 4.6865 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 8.49076 7.72539 8.12739 8.78528 6.09853 5.57024 numMergedOcc 0
49 mol 274 unq 0 iso 1 dist 8.49076 8.78528 6.09853 7.72539 8.12739 5.57024 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 9.29635 7.31817 4.9764 3.91224 6.36559 3.41319 numMergedOcc 0
51 mol 277 unq 0 iso 1 dist 9.29635 3.91224 6.36559 7.31817 4.9764 3.41319 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 9.20416 3.64117 6.69619 7.30677 4.49592 3.75963 numMergedOcc 0
53 mol 292 unq 0 iso 1 dist 9.20416 7.30677 4.49592 3.64117 6.69619 3.75963 numMergedOcc 0
54 mol 292 unq 1 iso 0 dist 7.53641 6.97445 6.69619 5.33412 4.49592 3.75963 numMergedOcc 0
55 mol 292 unq 1 iso 1 dist 7.53641 5.33412 4.49592 6.97445 6.69619 3.75963 numMergedOcc 0
