0 mol 20 unq 0 iso 0 dist 9.22796 9.03714 5.9809 11.9031 5.48225 6.4934 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.22796 9.03714 5.9809 14.2727 7.06175 6.93199 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.56639 7.35595 5.84066 7.46207 5.56139 8.82012 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.56639 7.35595 5.84066 15.3546 8.25132 9.16962 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 9.53382 10.1674 6.78936 17.981 9.11842 9.77484 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.26417 13.1473 6.53824 10.1695 6.19288 8.624 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.26417 13.1473 6.53824 6.68311 4.03844 6.77912 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 8.16985 5.00053 9.14817 6.7212 7.47371 7.321 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 7.81344 5.00053 9.76686 6.7212 9.67587 7.321 numMergedOcc 0
9 mol 72 unq 4 iso 0 dist 7.49245 9.57455 9.76686 13.3713 9.67587 7.321 numMergedOcc 0
10 mol 72 unq 5 iso 0 dist 5.49421 5.00053 9.437 6.7212 7.07356 7.321 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.8326 9.82998 9.4866 6.62246 5.31985 6.21982 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.8326 9.82998 9.4866 12.885 15.4159 8.19682 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 7.22752 5.38332 8.38791 8.84523 6.35679 5.87358 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 7.22752 5.38332 8.38791 9.45397 4.94189 9.20981 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 6.88175 10.06 6.55202 12.7943 6.30721 7.39889 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 6.88175 10.06 6.55202 8.88255 6.9194 9.63176 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 6.88175 10.06 6.55202 16.6272 12.4621 7.44174 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.41759 6.63186 5.52149 10.9185 11.5407 8.94837 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 6.41759 6.63186 5.52149 6.54987 5.91192 7.77454 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 8.14405 7.441 7.29911 5.68636 4.91785 9.38946 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 8.14405 6.79302 5.36254 13.3396 7.10286 7.39644 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 8.14405 6.79302 5.36254 5.68636 4.91785 7.36102 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 8.51691 9.61315 8.62366 16.9922 12.4131 7.93331 numMergedOcc 0
24 mol 173 unq 1 iso 0 dist 8.51691 9.61315 8.62366 16.0485 12.5815 6.98095 numMergedOcc 0
25 mol 173 unq 2 iso 0 dist 8.51691 9.61315 8.62366 15.0603 8.63452 8.31897 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 9.26885 9.24953 6.11135 13.4484 5.97754 5.48258 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 9.26885 11.5934 6.54481 13.4484 5.97754 6.15769 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 6.91906 5.24956 8.70987 11.5105 11.1534 7.46831 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 6.91906 5.24956 8.70987 10.1886 7.19184 8.60247 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 8.57638 8.30209 9.59426 15.3896 13.7327 9.50586 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 8.57638 11.2606 8.61306 17.4727 15.6802 7.17547 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 8.57638 11.2606 8.61306 15.3896 13.7327 7.13323 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 5.88041 5.56344 5.73591 10.6043 5.13732 8.19953 numMergedOcc 0
34 mol 228 unq 0 iso 0 dist 9.96994 11.9786 7.86746 17.5305 9.39743 7.77367 numMergedOcc 0
35 mol 228 unq 1 iso 0 dist 9.96994 11.9786 7.86746 16.089 6.65033 8.20909 numMergedOcc 0
36 mol 228 unq 2 iso 0 dist 9.96994 11.9786 7.86746 12.0258 6.19376 7.94506 numMergedOcc 0
37 mol 228 unq 3 iso 0 dist 9.96994 11.9786 7.86746 19.4086 11.8243 8.15494 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.40158 12.3374 9.38131 15.5179 13.378 5.38637 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 9.40158 12.3374 9.38131 11.6421 10.4966 6.55759 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 9.40158 5.92575 6.85253 7.61478 5.79187 8.96531 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 9.40158 5.92575 6.85253 11.6421 10.4966 7.02475 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 5.41453 11.6924 7.39547 7.64276 5.71717 7.67322 numMergedOcc 0
43 mol 238 unq 5 iso 0 dist 5.41453 5.61491 7.24334 4.87108 6.82305 7.49471 numMergedOcc 0
44 mol 238 unq 6 iso 0 dist 5.41453 5.61491 7.24334 7.64276 5.71717 7.19008 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.2885 5.4536 8.84648 10.367 10.282 7.48005 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 9.2885 5.4536 8.84648 8.57619 4.04513 8.37865 numMergedOcc 0
47 mol 267 unq 0 iso 0 dist 4.42902 6.07755 6.32877 14.0067 11.5903 8.76007 numMergedOcc 0
48 mol 267 unq 1 iso 0 dist 9.5358 13.7223 5.08174 17.1213 9.22276 8.76007 numMergedOcc 0
49 mol 272 unq 0 iso 0 dist 9.21411 8.07198 6.95241 11.8058 5.41667 7.67853 numMergedOcc 0
