0 mol 0 unq 0 iso 0 dist 6.80636 5.56852 5.88757 13.3498 8.8123 8.66548 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 12.9149 8.66548 15.944 8.8123 5.88757 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 5.84314 9.71516 6.33889 5.80437 9.81658 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 5.84314 9.81658 6.85412 5.80437 9.71516 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.73162 7.11305 9.96121 13.2086 14.531 9.06516 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.33535 9.53718 7.03126 17.7263 14.2885 9.68228 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 8.26899 5.61579 7.03126 10.947 14.2885 9.68228 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 8.624 5.72408 9.37102 9.99431 6.31884 8.8184 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 8.624 5.72408 9.37102 10.0983 4.64409 7.93683 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 8.624 3.94376 5.4605 9.99431 6.31884 6.1906 numMergedOcc 0
10 mol 72 unq 3 iso 0 dist 8.624 3.94376 5.4605 10.0983 4.64409 6.7272 numMergedOcc 0
11 mol 72 unq 4 iso 0 dist 8.624 6.19288 6.53824 9.99431 6.31884 7.67686 numMergedOcc 0
12 mol 72 unq 5 iso 0 dist 6.77912 10.0679 9.37102 10.4226 6.31884 8.8184 numMergedOcc 0
13 mol 72 unq 6 iso 0 dist 6.77912 10.0679 9.37102 10.4676 4.64409 7.93683 numMergedOcc 0
14 mol 72 unq 7 iso 0 dist 6.77912 5.69391 5.4605 10.4226 6.31884 6.1906 numMergedOcc 0
15 mol 72 unq 8 iso 0 dist 6.77912 5.69391 5.4605 10.4676 4.64409 6.7272 numMergedOcc 0
16 mol 72 unq 9 iso 0 dist 6.77912 4.03844 6.53824 10.4226 6.31884 7.67686 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 6.21982 5.31985 9.4866 12.0091 10.6948 9.40363 numMergedOcc 0
18 mol 76 unq 1 iso 0 dist 8.19682 15.4159 9.4866 18.5663 10.6948 9.40363 numMergedOcc 0
19 mol 86 unq 0 iso 0 dist 7.79359 5.9022 5.88159 10.5799 6.4158 9.29889 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 5.87358 6.35679 8.38791 11.6478 8.08303 8.86037 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 9.20981 4.94189 8.38791 12.8339 8.08303 8.86037 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 7.39889 14.443 9.08536 15.1819 8.58342 6.13374 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 9.63176 9.68677 9.08536 14.0269 8.58342 6.13374 numMergedOcc 0
24 mol 119 unq 2 iso 0 dist 6.19042 6.20019 6.13374 7.44174 8.58342 9.08536 numMergedOcc 0
25 mol 119 unq 3 iso 0 dist 7.44174 6.20019 9.08536 6.19042 8.58342 6.13374 numMergedOcc 0
26 mol 119 unq 4 iso 0 dist 8.43904 4.39676 6.13374 13.4411 8.58342 9.08536 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 7.31468 7.63293 7.05845 14.3738 10.2334 8.18023 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 7.7056 11.903 7.05845 17.4028 10.2334 8.18023 numMergedOcc 0
29 mol 155 unq 0 iso 0 dist 9.38946 4.91785 7.29911 7.36102 5.68272 5.36254 numMergedOcc 0
30 mol 155 unq 1 iso 0 dist 7.39644 7.10286 5.36254 11.5473 5.68272 7.29911 numMergedOcc 0
31 mol 155 unq 2 iso 0 dist 7.36102 4.91785 5.36254 9.38946 5.68272 7.29911 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 5.48258 5.97754 6.11135 6.15769 7.46053 6.54481 numMergedOcc 0
33 mol 194 unq 1 iso 0 dist 5.48258 5.97754 6.11135 9.53608 7.61485 8.03403 numMergedOcc 0
34 mol 194 unq 2 iso 0 dist 6.15769 5.97754 6.54481 5.48258 7.46053 6.11135 numMergedOcc 0
35 mol 194 unq 3 iso 0 dist 6.15769 5.97754 6.54481 9.53608 4.87859 8.03403 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 8.36117 6.04871 5.87439 6.77578 5.42587 8.18059 numMergedOcc 0
37 mol 195 unq 1 iso 0 dist 6.77578 6.04871 8.18059 8.36117 5.42587 5.87439 numMergedOcc 0
38 mol 213 unq 0 iso 0 dist 8.45368 4.72944 5.461 11.0791 6.04429 8.65196 numMergedOcc 0
39 mol 213 unq 1 iso 0 dist 6.0965 10.1881 8.65196 9.59129 6.04429 5.461 numMergedOcc 0
40 mol 213 unq 2 iso 0 dist 9.59129 10.1881 5.461 6.0965 6.04429 8.65196 numMergedOcc 0
41 mol 218 unq 0 iso 0 dist 9.50586 13.7327 9.59426 7.13323 4.63933 8.61306 numMergedOcc 0
42 mol 218 unq 1 iso 0 dist 7.17547 15.6802 8.61306 9.29802 4.63933 9.59426 numMergedOcc 0
43 mol 218 unq 2 iso 0 dist 7.13323 13.7327 8.61306 9.50586 4.63933 9.59426 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 8.19953 5.13732 5.73591 11.5717 4.74813 8.55345 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 6.25105 5.53885 7.36208 10.3388 5.32617 8.27411 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 9.5707 3.95629 8.27411 7.85175 5.32617 7.36208 numMergedOcc 0
47 mol 234 unq 2 iso 0 dist 9.5707 15.9732 6.96257 12.5293 6.31377 6.86569 numMergedOcc 0
48 mol 234 unq 3 iso 0 dist 7.85175 3.95629 7.36208 9.5707 5.32617 8.27411 numMergedOcc 0
49 mol 234 unq 4 iso 0 dist 6.16063 13.1872 9.11572 13.2498 12.4341 9.49229 numMergedOcc 0
50 mol 234 unq 5 iso 0 dist 6.16063 13.1872 9.11572 11.4691 10.9755 7.20293 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 5.38637 13.378 9.38131 9.98024 6.44245 6.85253 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 5.38637 13.378 9.38131 14.7057 13.7867 9.08687 numMergedOcc 0
53 mol 238 unq 2 iso 0 dist 6.55759 10.4966 9.38131 7.02475 6.44245 6.85253 numMergedOcc 0
54 mol 238 unq 3 iso 0 dist 6.55759 10.4966 9.38131 11.3465 13.7867 9.08687 numMergedOcc 0
55 mol 238 unq 4 iso 0 dist 8.96531 5.79187 6.85253 13.9201 6.44245 9.38131 numMergedOcc 0
56 mol 238 unq 5 iso 0 dist 8.96531 5.79187 6.85253 10.5309 13.0634 9.08687 numMergedOcc 0
57 mol 238 unq 6 iso 0 dist 7.02475 10.4966 6.85253 6.55759 6.44245 9.38131 numMergedOcc 0
58 mol 238 unq 7 iso 0 dist 7.02475 10.4966 6.85253 11.3465 13.0634 9.08687 numMergedOcc 0
59 mol 238 unq 8 iso 0 dist 7.67322 5.71717 7.39547 7.19008 9.50847 7.24334 numMergedOcc 0
60 mol 238 unq 9 iso 0 dist 7.49471 12.7938 5.43613 10.9946 6.34909 7.06768 numMergedOcc 0
61 mol 238 unq 10 iso 0 dist 7.49471 6.82305 7.24334 12.1937 9.50847 7.39547 numMergedOcc 0
62 mol 238 unq 11 iso 0 dist 7.19008 11.0772 5.43613 11.3465 6.34909 7.06768 numMergedOcc 0
63 mol 238 unq 12 iso 0 dist 7.19008 5.71717 7.24334 7.67322 9.50847 7.39547 numMergedOcc 0
