0 mol 20 unq 0 iso 0 dist 9.22796 9.03714 5.9809 11.9031 5.48225 6.4934 14.2727 7.06175 6.93199 8.77584 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.22796 9.03714 5.9809 14.2727 7.06175 6.93199 11.9031 5.48225 6.4934 8.77584 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.56639 7.35595 5.84066 7.46207 5.56139 8.82012 15.3546 8.25132 9.16962 13.2136 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 9.56639 7.35595 5.84066 15.3546 8.25132 9.16962 7.46207 5.56139 8.82012 13.2136 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.26417 13.1473 6.53824 10.1695 6.19288 8.624 6.68311 4.03844 6.77912 5.36766 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 9.26417 13.1473 6.53824 6.68311 4.03844 6.77912 10.1695 6.19288 8.624 5.36766 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.8326 9.82998 9.4866 6.62246 5.31985 6.21982 12.885 15.4159 8.19682 10.2879 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 8.8326 9.82998 9.4866 12.885 15.4159 8.19682 6.62246 5.31985 6.21982 10.2879 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 7.22752 5.38332 8.38791 8.84523 6.35679 5.87358 9.45397 4.94189 9.20981 4.98336 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 7.22752 5.38332 8.38791 9.45397 4.94189 9.20981 8.84523 6.35679 5.87358 4.98336 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.88175 10.06 6.55202 12.7943 6.30721 7.39889 8.88255 6.9194 9.63176 11.6667 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 6.88175 10.06 6.55202 8.88255 6.9194 9.63176 12.7943 6.30721 7.39889 11.6667 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 6.88175 10.06 6.55202 12.7943 6.30721 7.39889 16.6272 12.4621 7.44174 11.3169 numMergedOcc 0
13 mol 119 unq 1 iso 1 dist 6.88175 10.06 6.55202 16.6272 12.4621 7.44174 12.7943 6.30721 7.39889 11.3169 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 6.88175 10.06 6.55202 8.88255 6.9194 9.63176 16.6272 12.4621 7.44174 12.4603 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 6.88175 10.06 6.55202 16.6272 12.4621 7.44174 8.88255 6.9194 9.63176 12.4603 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.41759 6.63186 5.52149 10.9185 11.5407 8.94837 6.54987 5.91192 7.77454 7.93571 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 6.41759 6.63186 5.52149 6.54987 5.91192 7.77454 10.9185 11.5407 8.94837 7.93571 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 8.14405 6.79302 5.36254 13.3396 7.10286 7.39644 5.68636 4.91785 7.36102 10.7616 numMergedOcc 0
19 mol 155 unq 0 iso 1 dist 8.14405 6.79302 5.36254 5.68636 4.91785 7.36102 13.3396 7.10286 7.39644 10.7616 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 8.51691 9.61315 8.62366 16.9922 12.4131 7.93331 16.0485 12.5815 6.98095 4.83994 numMergedOcc 0
21 mol 173 unq 0 iso 1 dist 8.51691 9.61315 8.62366 16.0485 12.5815 6.98095 16.9922 12.4131 7.93331 4.83994 numMergedOcc 0
22 mol 173 unq 1 iso 0 dist 8.51691 9.61315 8.62366 16.9922 12.4131 7.93331 15.0603 8.63452 8.31897 5.16343 numMergedOcc 0
23 mol 173 unq 1 iso 1 dist 8.51691 9.61315 8.62366 15.0603 8.63452 8.31897 16.9922 12.4131 7.93331 5.16343 numMergedOcc 0
24 mol 173 unq 1 iso 0 dist 8.51691 9.61315 8.62366 16.0485 12.5815 6.98095 15.0603 8.63452 8.31897 8.17887 numMergedOcc 0
25 mol 173 unq 1 iso 1 dist 8.51691 9.61315 8.62366 15.0603 8.63452 8.31897 16.0485 12.5815 6.98095 8.17887 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 6.91906 5.24956 8.70987 11.5105 11.1534 7.46831 10.1886 7.19184 8.60247 10.3105 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 6.91906 5.24956 8.70987 10.1886 7.19184 8.60247 11.5105 11.1534 7.46831 10.3105 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 8.57638 11.2606 8.61306 17.4727 15.6802 7.17547 15.3896 13.7327 7.13323 7.83217 numMergedOcc 0
29 mol 218 unq 0 iso 1 dist 8.57638 11.2606 8.61306 15.3896 13.7327 7.13323 17.4727 15.6802 7.17547 7.83217 numMergedOcc 0
30 mol 228 unq 0 iso 0 dist 9.96994 11.9786 7.86746 17.5305 9.39743 7.77367 16.089 6.65033 8.20909 5.42695 numMergedOcc 0
31 mol 228 unq 0 iso 1 dist 9.96994 11.9786 7.86746 16.089 6.65033 8.20909 17.5305 9.39743 7.77367 5.42695 numMergedOcc 0
32 mol 228 unq 1 iso 0 dist 9.96994 11.9786 7.86746 17.5305 9.39743 7.77367 12.0258 6.19376 7.94506 11.3702 numMergedOcc 0
33 mol 228 unq 1 iso 1 dist 9.96994 11.9786 7.86746 12.0258 6.19376 7.94506 17.5305 9.39743 7.77367 11.3702 numMergedOcc 0
34 mol 228 unq 2 iso 0 dist 9.96994 11.9786 7.86746 17.5305 9.39743 7.77367 19.4086 11.8243 8.15494 6.001 numMergedOcc 0
35 mol 228 unq 2 iso 1 dist 9.96994 11.9786 7.86746 19.4086 11.8243 8.15494 17.5305 9.39743 7.77367 6.001 numMergedOcc 0
36 mol 228 unq 1 iso 0 dist 9.96994 11.9786 7.86746 16.089 6.65033 8.20909 12.0258 6.19376 7.94506 7.22215 numMergedOcc 0
37 mol 228 unq 1 iso 1 dist 9.96994 11.9786 7.86746 12.0258 6.19376 7.94506 16.089 6.65033 8.20909 7.22215 numMergedOcc 0
38 mol 228 unq 2 iso 0 dist 9.96994 11.9786 7.86746 16.089 6.65033 8.20909 19.4086 11.8243 8.15494 6.44695 numMergedOcc 0
39 mol 228 unq 2 iso 1 dist 9.96994 11.9786 7.86746 19.4086 11.8243 8.15494 16.089 6.65033 8.20909 6.44695 numMergedOcc 0
40 mol 228 unq 2 iso 0 dist 9.96994 11.9786 7.86746 12.0258 6.19376 7.94506 19.4086 11.8243 8.15494 10.3635 numMergedOcc 0
41 mol 228 unq 2 iso 1 dist 9.96994 11.9786 7.86746 19.4086 11.8243 8.15494 12.0258 6.19376 7.94506 10.3635 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.40158 12.3374 9.38131 15.5179 13.378 5.38637 11.6421 10.4966 6.55759 5.42006 numMergedOcc 0
43 mol 238 unq 0 iso 1 dist 9.40158 12.3374 9.38131 11.6421 10.4966 6.55759 15.5179 13.378 5.38637 5.42006 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 9.40158 5.92575 6.85253 7.61478 5.79187 8.96531 11.6421 10.4966 7.02475 12.9854 numMergedOcc 0
45 mol 238 unq 1 iso 1 dist 9.40158 5.92575 6.85253 11.6421 10.4966 7.02475 7.61478 5.79187 8.96531 12.9854 numMergedOcc 0
46 mol 238 unq 2 iso 0 dist 5.41453 5.61491 7.24334 4.87108 6.82305 7.49471 7.64276 5.71717 7.19008 5.34096 numMergedOcc 0
47 mol 238 unq 2 iso 1 dist 5.41453 5.61491 7.24334 7.64276 5.71717 7.19008 4.87108 6.82305 7.49471 5.34096 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 9.2885 5.4536 8.84648 10.367 10.282 7.48005 8.57619 4.04513 8.37865 12.5353 numMergedOcc 0
49 mol 259 unq 0 iso 1 dist 9.2885 5.4536 8.84648 8.57619 4.04513 8.37865 10.367 10.282 7.48005 12.5353 numMergedOcc 0
