0 mol 58 unq 0 iso 0 dist 9.33535 7.08557 8.26899 9.53718 7.03126 5.61579 17.7263 14.2885 10.947 9.68228 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 8.26899 7.08557 9.33535 5.61579 7.03126 9.53718 10.947 14.2885 17.7263 9.68228 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 8.624 5.36766 6.77912 5.72408 9.37102 10.0679 9.99431 6.31884 10.4226 8.8184 numMergedOcc 0
3 mol 72 unq 0 iso 1 dist 6.77912 5.36766 8.624 10.0679 9.37102 5.72408 10.4226 6.31884 9.99431 8.8184 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.624 5.36766 6.77912 5.72408 9.37102 10.0679 10.0983 4.64409 10.4676 7.93683 numMergedOcc 0
5 mol 72 unq 1 iso 1 dist 6.77912 5.36766 8.624 10.0679 9.37102 5.72408 10.4676 4.64409 10.0983 7.93683 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 8.624 5.36766 6.77912 3.94376 5.4605 5.69391 9.99431 6.31884 10.4226 6.1906 numMergedOcc 0
7 mol 72 unq 2 iso 1 dist 6.77912 5.36766 8.624 5.69391 5.4605 3.94376 10.4226 6.31884 9.99431 6.1906 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 8.624 5.36766 6.77912 3.94376 5.4605 5.69391 10.0983 4.64409 10.4676 6.7272 numMergedOcc 0
9 mol 72 unq 3 iso 1 dist 6.77912 5.36766 8.624 5.69391 5.4605 3.94376 10.4676 4.64409 10.0983 6.7272 numMergedOcc 0
10 mol 72 unq 4 iso 0 dist 8.624 5.36766 6.77912 6.19288 6.53824 4.03844 9.99431 6.31884 10.4226 7.67686 numMergedOcc 0
11 mol 72 unq 4 iso 1 dist 6.77912 5.36766 8.624 4.03844 6.53824 6.19288 10.4226 6.31884 9.99431 7.67686 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 6.21982 10.2879 8.19682 5.31985 9.4866 15.4159 12.0091 10.6948 18.5663 9.40363 numMergedOcc 0
13 mol 76 unq 0 iso 1 dist 8.19682 10.2879 6.21982 15.4159 9.4866 5.31985 18.5663 10.6948 12.0091 9.40363 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 5.87358 4.98336 9.20981 6.35679 8.38791 4.94189 11.6478 8.08303 12.8339 8.86037 numMergedOcc 0
15 mol 109 unq 0 iso 1 dist 9.20981 4.98336 5.87358 4.94189 8.38791 6.35679 12.8339 8.08303 11.6478 8.86037 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 14.443 9.08536 9.68677 15.1819 8.58342 14.0269 6.13374 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 9.68677 9.08536 14.443 14.0269 8.58342 15.1819 6.13374 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 7.39889 11.3169 7.44174 14.443 9.08536 6.20019 15.1819 8.58342 6.19042 6.13374 numMergedOcc 0
19 mol 119 unq 1 iso 1 dist 7.44174 11.3169 7.39889 6.20019 9.08536 14.443 6.19042 8.58342 15.1819 6.13374 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.63176 12.4603 7.44174 9.68677 9.08536 6.20019 14.0269 8.58342 6.19042 6.13374 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 7.44174 12.4603 9.63176 6.20019 9.08536 9.68677 6.19042 8.58342 14.0269 6.13374 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 6.19042 9.22558 8.43904 6.20019 6.13374 4.39676 7.44174 8.58342 13.4411 9.08536 numMergedOcc 0
23 mol 119 unq 2 iso 1 dist 8.43904 9.22558 6.19042 4.39676 6.13374 6.20019 13.4411 8.58342 7.44174 9.08536 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 7.63293 7.05845 11.903 14.3738 10.2334 17.4028 8.18023 numMergedOcc 0
25 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 11.903 7.05845 7.63293 17.4028 10.2334 14.3738 8.18023 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 7.39644 10.7616 7.36102 7.10286 5.36254 4.91785 11.5473 5.68272 9.38946 7.29911 numMergedOcc 0
27 mol 155 unq 0 iso 1 dist 7.36102 10.7616 7.39644 4.91785 5.36254 7.10286 9.38946 5.68272 11.5473 7.29911 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 8.45368 13.7995 9.59129 4.72944 5.461 10.1881 11.0791 6.04429 6.0965 8.65196 numMergedOcc 0
29 mol 213 unq 0 iso 1 dist 9.59129 13.7995 8.45368 10.1881 5.461 4.72944 6.0965 6.04429 11.0791 8.65196 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.17547 7.83217 7.13323 15.6802 8.61306 13.7327 9.29802 4.63933 9.50586 9.59426 numMergedOcc 0
31 mol 218 unq 0 iso 1 dist 7.13323 7.83217 7.17547 13.7327 8.61306 15.6802 9.50586 4.63933 9.29802 9.59426 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 6.25105 5.88703 7.85175 5.53885 7.36208 3.95629 10.3388 5.32617 9.5707 8.27411 numMergedOcc 0
33 mol 234 unq 0 iso 1 dist 7.85175 5.88703 6.25105 3.95629 7.36208 5.53885 9.5707 5.32617 10.3388 8.27411 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 5.38637 5.42006 6.55759 13.378 9.38131 10.4966 9.98024 6.44245 7.02475 6.85253 numMergedOcc 0
35 mol 238 unq 0 iso 1 dist 6.55759 5.42006 5.38637 10.4966 9.38131 13.378 7.02475 6.44245 9.98024 6.85253 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 5.38637 5.42006 6.55759 13.378 9.38131 10.4966 14.7057 13.7867 11.3465 9.08687 numMergedOcc 0
37 mol 238 unq 1 iso 1 dist 6.55759 5.42006 5.38637 10.4966 9.38131 13.378 11.3465 13.7867 14.7057 9.08687 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 8.96531 12.9854 7.02475 5.79187 6.85253 10.4966 13.9201 6.44245 6.55759 9.38131 numMergedOcc 0
39 mol 238 unq 2 iso 1 dist 7.02475 12.9854 8.96531 10.4966 6.85253 5.79187 6.55759 6.44245 13.9201 9.38131 numMergedOcc 0
40 mol 238 unq 3 iso 0 dist 8.96531 12.9854 7.02475 5.79187 6.85253 10.4966 10.5309 13.0634 11.3465 9.08687 numMergedOcc 0
41 mol 238 unq 3 iso 1 dist 7.02475 12.9854 8.96531 10.4966 6.85253 5.79187 11.3465 13.0634 10.5309 9.08687 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 7.49471 5.34096 7.19008 12.7938 5.43613 11.0772 10.9946 6.34909 11.3465 7.06768 numMergedOcc 0
43 mol 238 unq 4 iso 1 dist 7.19008 5.34096 7.49471 11.0772 5.43613 12.7938 11.3465 6.34909 10.9946 7.06768 numMergedOcc 0
44 mol 238 unq 5 iso 0 dist 7.49471 5.34096 7.19008 6.82305 7.24334 5.71717 12.1937 9.50847 7.67322 7.39547 numMergedOcc 0
45 mol 238 unq 5 iso 1 dist 7.19008 5.34096 7.49471 5.71717 7.24334 6.82305 7.67322 9.50847 12.1937 7.39547 numMergedOcc 0
