0 mol 0 unq 0 iso 0 dist 8.24206 6.19218 9.98828 7.79534 6.63977 4.76647 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 6.19218 8.24206 9.98828 7.79534 4.76647 6.63977 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 6.31161 9.46719 6.8073 6.62574 12.2137 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 6.31161 6.04551 9.46719 6.8073 12.2137 6.62574 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.04551 6.31161 9.46719 5.60663 9.48836 5.2902 numMergedOcc 0
5 mol 48 unq 1 iso 1 dist 6.31161 6.04551 9.46719 5.60663 5.2902 9.48836 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.36915 6.01454 8.29103 6.42242 13.1229 6.98858 numMergedOcc 0
7 mol 48 unq 2 iso 1 dist 6.01454 8.36915 8.29103 6.42242 6.98858 13.1229 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.12199 7.90837 8.22066 5.74593 7.27534 9.58876 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 7.90837 7.12199 8.22066 5.74593 9.58876 7.27534 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.12199 7.90837 8.22066 8.02376 9.23369 5.64135 numMergedOcc 0
11 mol 92 unq 1 iso 1 dist 7.90837 7.12199 8.22066 8.02376 5.64135 9.23369 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 9.56884 8.67865 14.4981 6.15654 7.21296 9.52463 numMergedOcc 0
13 mol 92 unq 2 iso 1 dist 8.67865 9.56884 14.4981 6.15654 9.52463 7.21296 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 9.56884 8.67865 14.4981 7.89887 9.18931 6.07224 numMergedOcc 0
15 mol 92 unq 3 iso 1 dist 8.67865 9.56884 14.4981 7.89887 6.07224 9.18931 numMergedOcc 0
16 mol 92 unq 4 iso 0 dist 9.56884 8.40148 7.79762 6.15654 7.21296 9.30089 numMergedOcc 0
17 mol 92 unq 4 iso 1 dist 8.40148 9.56884 7.79762 6.15654 9.30089 7.21296 numMergedOcc 0
18 mol 92 unq 5 iso 0 dist 9.56884 8.40148 7.79762 7.89887 9.18931 5.77554 numMergedOcc 0
19 mol 92 unq 5 iso 1 dist 8.40148 9.56884 7.79762 7.89887 5.77554 9.18931 numMergedOcc 0
20 mol 92 unq 4 iso 0 dist 8.67865 8.40148 10.1168 6.15654 9.52463 9.30089 numMergedOcc 0
21 mol 92 unq 4 iso 1 dist 8.40148 8.67865 10.1168 6.15654 9.30089 9.52463 numMergedOcc 0
22 mol 92 unq 5 iso 0 dist 8.67865 8.40148 10.1168 7.89887 6.07224 5.77554 numMergedOcc 0
23 mol 92 unq 5 iso 1 dist 8.40148 8.67865 10.1168 7.89887 5.77554 6.07224 numMergedOcc 0
24 mol 102 unq 0 iso 0 dist 8.63522 5.43401 3.9342 9.2062 6.69798 5.6591 numMergedOcc 0
25 mol 102 unq 0 iso 1 dist 5.43401 8.63522 3.9342 9.2062 5.6591 6.69798 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 7.85526 5.33543 5.63574 7.50264 9.66528 5.45341 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 5.33543 7.85526 5.63574 7.50264 5.45341 9.66528 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 9.45847 7.895 17.2664 4.88303 13.3059 5.18787 numMergedOcc 0
29 mol 184 unq 0 iso 1 dist 7.895 9.45847 17.2664 4.88303 5.18787 13.3059 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 7.38622 8.82165 4.87816 9.30761 7.75447 6.38935 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 8.82165 7.38622 4.87816 9.30761 6.38935 7.75447 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 8.51118 6.5 7.28269 9.87211 4.91904 6.79468 numMergedOcc 0
33 mol 197 unq 0 iso 1 dist 6.5 8.51118 7.28269 9.87211 6.79468 4.91904 numMergedOcc 0
34 mol 197 unq 1 iso 0 dist 8.51118 6.5 7.28269 6.3997 7.59634 5.31205 numMergedOcc 0
35 mol 197 unq 1 iso 1 dist 6.5 8.51118 7.28269 6.3997 5.31205 7.59634 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 8.75712 11.317 5.72178 numMergedOcc 0
37 mol 220 unq 0 iso 1 dist 7.20255 7.57712 5.88344 8.75712 5.72178 11.317 numMergedOcc 0
38 mol 220 unq 1 iso 0 dist 7.57716 8.98362 13.3644 8.32948 4.45003 14.9758 numMergedOcc 0
39 mol 220 unq 1 iso 1 dist 8.98362 7.57716 13.3644 8.32948 14.9758 4.45003 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 9.09835 7.21466 5.24285 9.85821 15.7033 11.3034 numMergedOcc 0
41 mol 239 unq 0 iso 1 dist 7.21466 9.09835 5.24285 9.85821 11.3034 15.7033 numMergedOcc 0
42 mol 241 unq 0 iso 0 dist 7.41298 9.99337 6.59047 9.30143 6.97807 9.37079 numMergedOcc 0
43 mol 241 unq 0 iso 1 dist 9.99337 7.41298 6.59047 9.30143 9.37079 6.97807 numMergedOcc 0
44 mol 257 unq 0 iso 0 dist 6.51449 9.50221 11.6752 8.64133 11.0338 8.81343 numMergedOcc 0
45 mol 257 unq 0 iso 1 dist 9.50221 6.51449 11.6752 8.64133 8.81343 11.0338 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 8.61786 8.42706 11.4983 9.54381 5.4894 15.3099 numMergedOcc 0
47 mol 266 unq 0 iso 1 dist 8.42706 8.61786 11.4983 9.54381 15.3099 5.4894 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 6.44266 8.75703 10.3541 9.35929 10.3973 5.43792 numMergedOcc 0
49 mol 274 unq 0 iso 1 dist 8.75703 6.44266 10.3541 9.35929 5.43792 10.3973 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 5.78017 8.78203 10.71 9.29922 13.4771 12.7014 numMergedOcc 0
51 mol 279 unq 0 iso 1 dist 8.78203 5.78017 10.71 9.29922 12.7014 13.4771 numMergedOcc 0
52 mol 280 unq 0 iso 0 dist 8.57733 9.05509 6.17591 7.42529 11.1898 11.0648 numMergedOcc 0
53 mol 280 unq 0 iso 1 dist 9.05509 8.57733 6.17591 7.42529 11.0648 11.1898 numMergedOcc 0
54 mol 285 unq 0 iso 0 dist 8.70702 9.43706 14.1636 9.26309 15.698 13.927 numMergedOcc 0
55 mol 285 unq 0 iso 1 dist 9.43706 8.70702 14.1636 9.26309 13.927 15.698 numMergedOcc 0
56 mol 285 unq 1 iso 0 dist 8.70702 9.3482 14.0317 9.26309 15.698 4.79097 numMergedOcc 0
57 mol 285 unq 1 iso 1 dist 9.3482 8.70702 14.0317 9.26309 4.79097 15.698 numMergedOcc 0
58 mol 285 unq 1 iso 0 dist 9.43706 9.3482 16.6298 9.26309 13.927 4.79097 numMergedOcc 0
59 mol 285 unq 1 iso 1 dist 9.3482 9.43706 16.6298 9.26309 4.79097 13.927 numMergedOcc 0
