0 mol 18 unq 0 iso 0 dist 8.95294 9.9807 8.52106 7.30649 6.32451 5.51376 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.95294 7.30649 6.32451 9.9807 8.52106 5.51376 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 7.19022 10.4866 8.52106 5.31135 6.32451 5.51376 numMergedOcc 0
3 mol 18 unq 1 iso 1 dist 7.19022 5.31135 6.32451 10.4866 8.52106 5.51376 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.10253 10.3363 8.82012 16.9524 9.16962 13.2136 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 9.10253 16.9524 9.16962 10.3363 8.82012 13.2136 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.61402 9.22921 6.99408 6.64343 9.3403 6.11102 numMergedOcc 0
7 mol 45 unq 0 iso 1 dist 7.61402 6.64343 9.3403 9.22921 6.99408 6.11102 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 9.76145 6.02166 8.33704 10.1412 7.92394 5.22626 numMergedOcc 0
9 mol 70 unq 0 iso 1 dist 9.76145 10.1412 7.92394 6.02166 8.33704 5.22626 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 7.49283 8.72784 6.33365 9.14798 5.15851 9.02771 numMergedOcc 0
11 mol 75 unq 0 iso 1 dist 7.49283 9.14798 5.15851 8.72784 6.33365 9.02771 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 6.22513 5.49132 6.21982 6.71804 8.19682 10.2879 numMergedOcc 0
13 mol 76 unq 0 iso 1 dist 6.22513 6.71804 8.19682 5.49132 6.21982 10.2879 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 6.58062 11.1785 5.81965 10.9352 7.06013 5.02055 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 6.58062 10.9352 7.06013 11.1785 5.81965 5.02055 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.58062 11.1785 5.81965 10.8489 9.70512 8.95922 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 6.58062 10.8489 9.70512 11.1785 5.81965 8.95922 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 6.58062 10.9352 7.06013 10.8489 9.70512 12.4494 numMergedOcc 0
19 mol 92 unq 1 iso 1 dist 6.58062 10.8489 9.70512 10.9352 7.06013 12.4494 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.68866 4.12752 6.87861 11.6346 6.50039 10.4294 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 9.68866 11.6346 6.50039 4.12752 6.87861 10.4294 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 6.16039 5.26656 6.79146 10.6181 7.66168 7.01619 numMergedOcc 0
23 mol 130 unq 0 iso 1 dist 6.16039 10.6181 7.66168 5.26656 6.79146 7.01619 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 6.16039 5.26656 6.79146 9.86628 6.89257 6.83397 numMergedOcc 0
25 mol 130 unq 1 iso 1 dist 6.16039 9.86628 6.89257 5.26656 6.79146 6.83397 numMergedOcc 0
26 mol 130 unq 1 iso 0 dist 6.16039 10.6181 7.66168 9.86628 6.89257 7.50049 numMergedOcc 0
27 mol 130 unq 1 iso 1 dist 6.16039 9.86628 6.89257 10.6181 7.66168 7.50049 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 9.13913 13.5954 7.93331 9.29369 6.98095 4.83994 numMergedOcc 0
29 mol 173 unq 0 iso 1 dist 9.13913 9.29369 6.98095 13.5954 7.93331 4.83994 numMergedOcc 0
30 mol 173 unq 1 iso 0 dist 9.13913 13.5954 7.93331 15.713 8.31897 5.16343 numMergedOcc 0
31 mol 173 unq 1 iso 1 dist 9.13913 15.713 8.31897 13.5954 7.93331 5.16343 numMergedOcc 0
32 mol 173 unq 1 iso 0 dist 9.13913 9.29369 6.98095 15.713 8.31897 8.17887 numMergedOcc 0
33 mol 173 unq 1 iso 1 dist 9.13913 15.713 8.31897 9.29369 6.98095 8.17887 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 7.95111 7.25468 9.52936 8.82012 9.15417 5.43299 numMergedOcc 0
35 mol 184 unq 0 iso 1 dist 7.95111 8.82012 9.15417 7.25468 9.52936 5.43299 numMergedOcc 0
36 mol 194 unq 0 iso 0 dist 8.60851 5.87898 6.95408 13.1777 9.57538 8.2172 numMergedOcc 0
37 mol 194 unq 0 iso 1 dist 8.60851 13.1777 9.57538 5.87898 6.95408 8.2172 numMergedOcc 0
38 mol 194 unq 1 iso 0 dist 8.60851 5.87898 6.95408 15.4354 9.2285 10.5623 numMergedOcc 0
39 mol 194 unq 1 iso 1 dist 8.60851 15.4354 9.2285 5.87898 6.95408 10.5623 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 8.60851 5.87898 6.95408 15.5581 7.58278 11.7618 numMergedOcc 0
41 mol 194 unq 2 iso 1 dist 8.60851 15.5581 7.58278 5.87898 6.95408 11.7618 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 8.60851 13.1777 9.57538 15.4354 9.2285 4.53419 numMergedOcc 0
43 mol 194 unq 1 iso 1 dist 8.60851 15.4354 9.2285 13.1777 9.57538 4.53419 numMergedOcc 0
44 mol 194 unq 2 iso 0 dist 8.60851 13.1777 9.57538 15.5581 7.58278 8.12479 numMergedOcc 0
45 mol 194 unq 2 iso 1 dist 8.60851 15.5581 7.58278 13.1777 9.57538 8.12479 numMergedOcc 0
46 mol 194 unq 2 iso 0 dist 8.60851 15.4354 9.2285 15.5581 7.58278 4.40125 numMergedOcc 0
47 mol 194 unq 2 iso 1 dist 8.60851 15.5581 7.58278 15.4354 9.2285 4.40125 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 5.77917 7.05305 7.46831 6.33863 8.60247 10.3105 numMergedOcc 0
49 mol 214 unq 0 iso 1 dist 5.77917 6.33863 8.60247 7.05305 7.46831 10.3105 numMergedOcc 0
50 mol 228 unq 0 iso 0 dist 8.04854 11.6016 8.06181 9.07296 8.38048 5.43096 numMergedOcc 0
51 mol 228 unq 0 iso 1 dist 8.04854 9.07296 8.38048 11.6016 8.06181 5.43096 numMergedOcc 0
52 mol 228 unq 1 iso 0 dist 8.04854 11.6016 8.06181 6.03966 7.65132 11.1899 numMergedOcc 0
53 mol 228 unq 1 iso 1 dist 8.04854 6.03966 7.65132 11.6016 8.06181 11.1899 numMergedOcc 0
54 mol 228 unq 2 iso 0 dist 8.04854 11.6016 8.06181 7.74541 8.53764 5.93014 numMergedOcc 0
55 mol 228 unq 2 iso 1 dist 8.04854 7.74541 8.53764 11.6016 8.06181 5.93014 numMergedOcc 0
56 mol 228 unq 1 iso 0 dist 8.04854 9.07296 8.38048 6.03966 7.65132 7.09673 numMergedOcc 0
57 mol 228 unq 1 iso 1 dist 8.04854 6.03966 7.65132 9.07296 8.38048 7.09673 numMergedOcc 0
58 mol 228 unq 2 iso 0 dist 8.04854 9.07296 8.38048 7.74541 8.53764 6.61579 numMergedOcc 0
59 mol 228 unq 2 iso 1 dist 8.04854 7.74541 8.53764 9.07296 8.38048 6.61579 numMergedOcc 0
60 mol 228 unq 2 iso 0 dist 8.04854 6.03966 7.65132 7.74541 8.53764 10.2985 numMergedOcc 0
61 mol 228 unq 2 iso 1 dist 8.04854 7.74541 8.53764 6.03966 7.65132 10.2985 numMergedOcc 0
62 mol 228 unq 3 iso 0 dist 8.08612 11.6723 7.77367 9.04318 8.20909 5.42695 numMergedOcc 0
63 mol 228 unq 3 iso 1 dist 8.08612 9.04318 8.20909 11.6723 7.77367 5.42695 numMergedOcc 0
64 mol 228 unq 4 iso 0 dist 8.08612 11.6723 7.77367 6.25423 7.94506 11.3702 numMergedOcc 0
65 mol 228 unq 4 iso 1 dist 8.08612 6.25423 7.94506 11.6723 7.77367 11.3702 numMergedOcc 0
66 mol 228 unq 5 iso 0 dist 8.08612 11.6723 7.77367 7.61976 8.15494 6.001 numMergedOcc 0
67 mol 228 unq 5 iso 1 dist 8.08612 7.61976 8.15494 11.6723 7.77367 6.001 numMergedOcc 0
68 mol 228 unq 4 iso 0 dist 8.08612 9.04318 8.20909 6.25423 7.94506 7.22215 numMergedOcc 0
69 mol 228 unq 4 iso 1 dist 8.08612 6.25423 7.94506 9.04318 8.20909 7.22215 numMergedOcc 0
70 mol 228 unq 5 iso 0 dist 8.08612 9.04318 8.20909 7.61976 8.15494 6.44695 numMergedOcc 0
71 mol 228 unq 5 iso 1 dist 8.08612 7.61976 8.15494 9.04318 8.20909 6.44695 numMergedOcc 0
72 mol 228 unq 5 iso 0 dist 8.08612 6.25423 7.94506 7.61976 8.15494 10.3635 numMergedOcc 0
73 mol 228 unq 5 iso 1 dist 8.08612 7.61976 8.15494 6.25423 7.94506 10.3635 numMergedOcc 0
74 mol 232 unq 0 iso 0 dist 8.94854 8.14537 7.07392 12.1805 9.62952 4.96364 numMergedOcc 0
75 mol 232 unq 0 iso 1 dist 8.94854 12.1805 9.62952 8.14537 7.07392 4.96364 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 7.90344 12.9109 8.14172 12.3128 6.77463 5.31152 numMergedOcc 0
77 mol 238 unq 0 iso 1 dist 7.90344 12.3128 6.77463 12.9109 8.14172 5.31152 numMergedOcc 0
78 mol 238 unq 1 iso 0 dist 9.83326 5.18756 6.05141 9.55101 8.09066 5.6348 numMergedOcc 0
79 mol 238 unq 1 iso 1 dist 9.83326 9.55101 8.09066 5.18756 6.05141 5.6348 numMergedOcc 0
80 mol 238 unq 2 iso 0 dist 9.83326 5.18756 6.05141 13.5175 7.2766 8.87326 numMergedOcc 0
81 mol 238 unq 2 iso 1 dist 9.83326 13.5175 7.2766 5.18756 6.05141 8.87326 numMergedOcc 0
82 mol 238 unq 2 iso 0 dist 9.83326 9.55101 8.09066 13.5175 7.2766 5.31152 numMergedOcc 0
83 mol 238 unq 2 iso 1 dist 9.83326 13.5175 7.2766 9.55101 8.09066 5.31152 numMergedOcc 0
84 mol 238 unq 3 iso 0 dist 6.19514 6.13639 6.05141 5.59848 8.09066 5.6348 numMergedOcc 0
85 mol 238 unq 3 iso 1 dist 6.19514 5.59848 8.09066 6.13639 6.05141 5.6348 numMergedOcc 0
86 mol 238 unq 4 iso 0 dist 6.19514 6.13639 6.05141 7.17967 7.2766 8.87326 numMergedOcc 0
87 mol 238 unq 4 iso 1 dist 6.19514 7.17967 7.2766 6.13639 6.05141 8.87326 numMergedOcc 0
88 mol 238 unq 4 iso 0 dist 6.19514 5.59848 8.09066 7.17967 7.2766 5.31152 numMergedOcc 0
89 mol 238 unq 4 iso 1 dist 6.19514 7.17967 7.2766 5.59848 8.09066 5.31152 numMergedOcc 0
