0 mol 13 unq 0 iso 0 dist 7.62822 6.64881 9.45635 5.9695 9.21911 6.95614 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.54282 7.72477 9.12845 8.08257 6.81793 6.04762 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 4.61355 8.86861 9.9787 6.92761 5.43693 11.1395 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 8.93538 11.9377 7.57295 3.80331 6.63448 9.49968 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.93538 8.71681 8.4312 3.80331 6.63448 5.94827 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 8.93538 6.05904 7.48086 3.80331 6.63448 5.32257 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.91835 7.57533 9.64383 18.4786 9.25444 18.5442 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.91835 7.57533 9.64383 12.5488 8.46823 16.4267 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 9.91835 11.7846 7.54889 18.4786 9.25444 9.85543 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 9.91835 11.7846 7.54889 12.5488 8.46823 9.67482 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 9.91835 15.0999 7.78931 18.4786 9.25444 7.28361 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 9.91835 15.0999 7.78931 12.5488 8.46823 12.0974 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 9.29692 10.9992 5.10496 17.3782 9.84703 7.94178 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 9.29692 10.9992 5.10496 7.20666 4.62494 4.4057 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 9.29692 6.16706 5.92242 17.3782 9.84703 15.7178 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 9.29692 6.16706 5.92242 7.20666 4.62494 7.42446 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 9.29692 14.2079 5.2571 17.3782 9.84703 9.85543 numMergedOcc 0
17 mol 98 unq 11 iso 0 dist 9.29692 14.2079 5.2571 7.20666 4.62494 9.67482 numMergedOcc 0
18 mol 98 unq 12 iso 0 dist 9.29692 17.8653 8.7497 17.3782 9.84703 7.28361 numMergedOcc 0
19 mol 98 unq 13 iso 0 dist 9.29692 17.8653 8.7497 7.20666 4.62494 12.0974 numMergedOcc 0
20 mol 98 unq 14 iso 0 dist 7.6935 9.00814 9.64383 13.8217 9.25444 18.5442 numMergedOcc 0
21 mol 98 unq 15 iso 0 dist 7.6935 9.00814 9.64383 12.9299 8.46823 16.4267 numMergedOcc 0
22 mol 98 unq 16 iso 0 dist 7.6935 5.65902 7.54889 13.8217 9.25444 9.85543 numMergedOcc 0
23 mol 98 unq 17 iso 0 dist 7.6935 5.65902 7.54889 12.9299 8.46823 9.67482 numMergedOcc 0
24 mol 98 unq 18 iso 0 dist 7.6935 7.85074 7.78931 13.8217 9.25444 7.28361 numMergedOcc 0
25 mol 98 unq 19 iso 0 dist 7.6935 7.85074 7.78931 12.9299 8.46823 12.0974 numMergedOcc 0
26 mol 98 unq 20 iso 0 dist 8.71558 13.2064 5.10496 13.8217 9.84703 7.94178 numMergedOcc 0
27 mol 98 unq 21 iso 0 dist 8.71558 13.2064 5.10496 12.9299 4.62494 4.4057 numMergedOcc 0
28 mol 98 unq 22 iso 0 dist 8.71558 10.7799 5.92242 13.8217 9.84703 15.7178 numMergedOcc 0
29 mol 98 unq 23 iso 0 dist 8.71558 10.7799 5.92242 12.9299 4.62494 7.42446 numMergedOcc 0
30 mol 98 unq 24 iso 0 dist 8.71558 5.65902 5.2571 13.8217 9.84703 9.85543 numMergedOcc 0
31 mol 98 unq 25 iso 0 dist 8.71558 5.65902 5.2571 12.9299 4.62494 9.67482 numMergedOcc 0
32 mol 98 unq 26 iso 0 dist 8.71558 7.85074 8.7497 13.8217 9.84703 7.28361 numMergedOcc 0
33 mol 98 unq 27 iso 0 dist 8.71558 7.85074 8.7497 12.9299 4.62494 12.0974 numMergedOcc 0
34 mol 105 unq 0 iso 0 dist 9.74162 6.06944 9.16718 10.1347 7.77089 11.0132 numMergedOcc 0
35 mol 105 unq 1 iso 0 dist 9.74162 10.5797 7.94633 10.1347 7.77089 9.96719 numMergedOcc 0
36 mol 112 unq 0 iso 0 dist 9.74956 9.72682 7.7988 12.7166 8.06134 6.41459 numMergedOcc 0
37 mol 112 unq 1 iso 0 dist 9.74956 9.72682 7.7988 7.60684 5.36587 7.64054 numMergedOcc 0
38 mol 112 unq 2 iso 0 dist 9.74956 14.4313 9.40824 12.7166 8.06134 7.18484 numMergedOcc 0
39 mol 112 unq 3 iso 0 dist 9.74956 14.4313 9.40824 7.60684 5.36587 10.9474 numMergedOcc 0
40 mol 112 unq 4 iso 0 dist 9.74956 11.8409 4.22363 12.7166 8.06134 4.35926 numMergedOcc 0
41 mol 112 unq 5 iso 0 dist 9.74956 11.8409 4.22363 7.60684 5.36587 5.76098 numMergedOcc 0
42 mol 112 unq 6 iso 0 dist 6.93938 11.3081 7.7988 13.3967 8.06134 6.41459 numMergedOcc 0
43 mol 112 unq 7 iso 0 dist 6.93938 11.3081 7.7988 7.77418 5.36587 7.64054 numMergedOcc 0
44 mol 112 unq 8 iso 0 dist 6.93938 14.7352 9.40824 13.3967 8.06134 7.18484 numMergedOcc 0
45 mol 112 unq 9 iso 0 dist 6.93938 14.7352 9.40824 7.77418 5.36587 10.9474 numMergedOcc 0
46 mol 112 unq 10 iso 0 dist 6.93938 10.7105 4.22363 13.3967 8.06134 4.35926 numMergedOcc 0
47 mol 112 unq 11 iso 0 dist 6.93938 10.7105 4.22363 7.77418 5.36587 5.76098 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 9.9292 14.5985 8.95212 11.8097 8.67537 5.13589 numMergedOcc 0
49 mol 119 unq 1 iso 0 dist 9.9292 6.92096 6.99446 11.8097 8.67537 10.8661 numMergedOcc 0
50 mol 119 unq 2 iso 0 dist 9.9292 11.7253 7.64052 11.8097 8.67537 12.0175 numMergedOcc 0
51 mol 167 unq 0 iso 0 dist 9.38297 10.292 6.84752 11.1668 8.86449 4.64019 numMergedOcc 0
52 mol 167 unq 1 iso 0 dist 9.38297 14.6636 7.86563 11.1668 8.86449 5.90938 numMergedOcc 0
53 mol 167 unq 2 iso 0 dist 9.38297 5.89138 7.02548 11.1668 8.86449 7.08726 numMergedOcc 0
54 mol 198 unq 0 iso 0 dist 9.42723 15.4671 9.31526 16.6388 8.63279 9.73871 numMergedOcc 0
55 mol 198 unq 1 iso 0 dist 7.70823 15.0288 9.31526 8.95775 8.63279 9.73871 numMergedOcc 0
56 mol 198 unq 2 iso 0 dist 8.16611 9.3872 9.31526 5.04011 8.63279 9.73871 numMergedOcc 0
