0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 5.01101 6.42835 11.0298 5.94982 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 5.01101 11.0298 6.42835 5.94982 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.75618 4.96411 9.74255 8.7083 11.877 13.0732 8.54034 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 8.7083 13.0732 11.877 8.54034 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 7.75618 4.96411 7.08342 8.7083 11.877 12.2354 8.54034 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 8.7083 12.2354 11.877 8.54034 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 10.4416 13.0732 12.2354 8.54034 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 10.4416 12.2354 13.0732 8.54034 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 8.7083 13.0732 12.2354 8.54034 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 8.7083 12.2354 13.0732 8.54034 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 9.88364 10.2862 18.188 9.85784 numMergedOcc 0
11 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 9.88364 18.188 10.2862 9.85784 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 9.78753 11.825 18.4146 9.87996 numMergedOcc 0
13 mol 24 unq 1 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 9.78753 18.4146 11.825 9.87996 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.8647 12.5088 17.9146 6.61696 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 14.8647 17.9146 12.5088 6.61696 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 5.11636 7.95042 10.9819 5.80953 numMergedOcc 0
17 mol 24 unq 3 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 5.11636 10.9819 7.95042 5.80953 numMergedOcc 0
18 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 4.79736 12.3058 10.6772 9.98592 numMergedOcc 0
19 mol 24 unq 4 iso 1 dist 8.38394 8.86116 6.44287 8.44664 5.30734 10.971 4.79736 10.6772 12.3058 9.98592 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 14.4081 17.9275 19.8965 9.586 numMergedOcc 0
21 mol 24 unq 5 iso 1 dist 8.38394 8.86116 6.44287 9.44691 12.505 13.4893 14.4081 19.8965 17.9275 9.586 numMergedOcc 0
22 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 10.1698 5.68215 17.003 6.61696 numMergedOcc 0
23 mol 24 unq 6 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 10.1698 17.003 5.68215 6.61696 numMergedOcc 0
24 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 13.6174 10.9113 16.707 5.80953 numMergedOcc 0
25 mol 24 unq 7 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 13.6174 16.707 10.9113 5.80953 numMergedOcc 0
26 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 5.73029 9.16003 10.502 9.33304 numMergedOcc 0
27 mol 24 unq 8 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.73029 10.502 9.16003 9.33304 numMergedOcc 0
28 mol 24 unq 9 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 6.28159 10.4135 8.87744 4.5711 numMergedOcc 0
29 mol 24 unq 9 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 numMergedOcc 0
30 mol 24 unq 10 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 5.50396 9.33482 7.27472 4.44526 numMergedOcc 0
31 mol 24 unq 10 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 numMergedOcc 0
32 mol 24 unq 11 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 5.50396 9.33482 7.27472 9.586 numMergedOcc 0
33 mol 24 unq 11 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.50396 7.27472 9.33482 9.586 numMergedOcc 0
34 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 5.63212 10.9703 10.3338 5.20109 numMergedOcc 0
35 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 5.63212 10.3338 10.9703 5.20109 numMergedOcc 0
36 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 11.3019 15.888 13.813 7.58739 numMergedOcc 0
37 mol 58 unq 0 iso 1 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 11.3019 13.813 15.888 7.58739 numMergedOcc 0
38 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 9.87158 13.3281 9.22598 9.01564 numMergedOcc 0
39 mol 58 unq 1 iso 1 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 9.87158 9.22598 13.3281 9.01564 numMergedOcc 0
40 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 5.86526 11.5155 9.55996 7.11065 numMergedOcc 0
41 mol 58 unq 2 iso 1 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 5.86526 9.55996 11.5155 7.11065 numMergedOcc 0
42 mol 58 unq 3 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 11.3019 15.888 11.2189 7.58739 numMergedOcc 0
43 mol 58 unq 3 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 11.3019 11.2189 15.888 7.58739 numMergedOcc 0
44 mol 58 unq 4 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 9.87158 13.3281 8.96727 9.01564 numMergedOcc 0
45 mol 58 unq 4 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 9.87158 8.96727 13.3281 9.01564 numMergedOcc 0
46 mol 58 unq 5 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 5.86526 11.5155 8.01308 7.11065 numMergedOcc 0
47 mol 58 unq 5 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.86526 8.01308 11.5155 7.11065 numMergedOcc 0
48 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 11.3019 13.813 11.2189 7.58739 numMergedOcc 0
49 mol 58 unq 3 iso 1 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 11.3019 11.2189 13.813 7.58739 numMergedOcc 0
50 mol 58 unq 4 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 9.87158 9.22598 8.96727 9.01564 numMergedOcc 0
51 mol 58 unq 4 iso 1 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 9.87158 8.96727 9.22598 9.01564 numMergedOcc 0
52 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 5.86526 9.55996 8.01308 7.11065 numMergedOcc 0
53 mol 58 unq 5 iso 1 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.86526 8.01308 9.55996 7.11065 numMergedOcc 0
54 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 9.27838 15.434 11.6378 5.69391 13.6019 9.55118 7.58875 numMergedOcc 0
55 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 5.69391 9.55118 13.6019 7.58875 numMergedOcc 0
56 mol 72 unq 1 iso 0 dist 8.8178 9.96708 10.7394 9.27838 15.434 11.6378 5.57624 14.3084 13.641 9.52749 numMergedOcc 0
57 mol 72 unq 1 iso 1 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 5.57624 13.641 14.3084 9.52749 numMergedOcc 0
58 mol 72 unq 2 iso 0 dist 8.8178 9.96708 10.7394 9.27838 15.434 11.6378 4.03844 12.4827 12.111 6.91169 numMergedOcc 0
59 mol 72 unq 2 iso 1 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 4.03844 12.111 12.4827 6.91169 numMergedOcc 0
60 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 6.20232 12.2276 8.68662 8.96616 numMergedOcc 0
61 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 6.20232 8.68662 12.2276 8.96616 numMergedOcc 0
62 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 5.70116 9.73086 7.4369 6.14542 numMergedOcc 0
63 mol 73 unq 1 iso 1 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 5.70116 7.4369 9.73086 6.14542 numMergedOcc 0
64 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 6.20232 12.2276 13.8931 8.96616 numMergedOcc 0
65 mol 73 unq 2 iso 1 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 6.20232 13.8931 12.2276 8.96616 numMergedOcc 0
66 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 5.70116 9.73086 12.8207 6.14542 numMergedOcc 0
67 mol 73 unq 3 iso 1 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 5.70116 12.8207 9.73086 6.14542 numMergedOcc 0
68 mol 73 unq 2 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 6.20232 8.68662 13.8931 8.96616 numMergedOcc 0
69 mol 73 unq 2 iso 1 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 6.20232 13.8931 8.68662 8.96616 numMergedOcc 0
70 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 5.70116 7.4369 12.8207 6.14542 numMergedOcc 0
71 mol 73 unq 3 iso 1 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 5.70116 12.8207 7.4369 6.14542 numMergedOcc 0
72 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 11.9064 13.3997 15.8175 5.05893 numMergedOcc 0
73 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 9.82915 13.5116 9.29301 11.9064 15.8175 13.3997 5.05893 numMergedOcc 0
74 mol 85 unq 1 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 14.7521 14.6517 18.2645 5.71866 numMergedOcc 0
75 mol 85 unq 1 iso 1 dist 7.47541 7.97049 6.9948 9.82915 13.5116 9.29301 14.7521 18.2645 14.6517 5.71866 numMergedOcc 0
76 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 10.4782 9.81956 10.8223 8.46823 numMergedOcc 0
77 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 10.4782 10.8223 9.81956 8.46823 numMergedOcc 0
78 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 3.9764 5.10496 5.92242 4.62494 numMergedOcc 0
79 mol 98 unq 1 iso 1 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 3.9764 5.92242 5.10496 4.62494 numMergedOcc 0
80 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 10.4782 9.81956 7.54889 8.46823 numMergedOcc 0
81 mol 98 unq 2 iso 1 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 10.4782 7.54889 9.81956 8.46823 numMergedOcc 0
82 mol 98 unq 3 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 3.9764 5.10496 5.2571 4.62494 numMergedOcc 0
83 mol 98 unq 3 iso 1 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 3.9764 5.2571 5.10496 4.62494 numMergedOcc 0
84 mol 98 unq 2 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 10.4782 10.8223 7.54889 8.46823 numMergedOcc 0
85 mol 98 unq 2 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 10.4782 7.54889 10.8223 8.46823 numMergedOcc 0
86 mol 98 unq 3 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 3.9764 5.92242 5.2571 4.62494 numMergedOcc 0
87 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 3.9764 5.2571 5.92242 4.62494 numMergedOcc 0
88 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 4.03277 8.91882 10.5432 6.59691 numMergedOcc 0
89 mol 100 unq 0 iso 1 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 4.03277 10.5432 8.91882 6.59691 numMergedOcc 0
90 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 4.03277 8.91882 11.5088 6.59691 numMergedOcc 0
91 mol 100 unq 1 iso 1 dist 9.35224 9.60661 7.80879 7.01812 10.0456 5.80144 4.03277 11.5088 8.91882 6.59691 numMergedOcc 0
92 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 4.03277 10.5432 11.5088 6.59691 numMergedOcc 0
93 mol 100 unq 1 iso 1 dist 9.35224 7.17106 8.87654 7.01812 10.0456 8.4128 4.03277 11.5088 10.5432 6.59691 numMergedOcc 0
94 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 6.23008 9.76432 8.91882 6.59691 numMergedOcc 0
95 mol 100 unq 2 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 6.23008 8.91882 9.76432 6.59691 numMergedOcc 0
96 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 6.23008 9.76432 11.5088 6.59691 numMergedOcc 0
97 mol 100 unq 3 iso 1 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 6.23008 11.5088 9.76432 6.59691 numMergedOcc 0
98 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 6.23008 9.76432 11.6812 6.59691 numMergedOcc 0
99 mol 100 unq 4 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 6.23008 11.6812 9.76432 6.59691 numMergedOcc 0
100 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 6.23008 8.91882 11.5088 6.59691 numMergedOcc 0
101 mol 100 unq 3 iso 1 dist 6.56369 6.65086 7.80879 8.30845 10.0456 5.80144 6.23008 11.5088 8.91882 6.59691 numMergedOcc 0
102 mol 100 unq 4 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 6.23008 8.91882 11.6812 6.59691 numMergedOcc 0
103 mol 100 unq 4 iso 1 dist 9.30209 6.65086 5.38414 8.30845 6.70236 5.80144 6.23008 11.6812 8.91882 6.59691 numMergedOcc 0
104 mol 100 unq 4 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 6.23008 11.5088 11.6812 6.59691 numMergedOcc 0
105 mol 100 unq 4 iso 1 dist 9.30209 6.56369 6.39938 8.30845 6.70236 10.0456 6.23008 11.6812 11.5088 6.59691 numMergedOcc 0
106 mol 129 unq 0 iso 0 dist 9.61051 5.83384 9.05135 7.58957 5.68211 10.5488 6.28232 11.3039 11.7541 6.34626 numMergedOcc 0
107 mol 129 unq 0 iso 1 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 6.28232 11.7541 11.3039 6.34626 numMergedOcc 0
108 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 12.847 13.0242 11.988 9.0176 numMergedOcc 0
109 mol 134 unq 0 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 12.847 11.988 13.0242 9.0176 numMergedOcc 0
110 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 8.06642 7.21868 7.93372 9.0176 numMergedOcc 0
111 mol 134 unq 1 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 8.06642 7.93372 7.21868 9.0176 numMergedOcc 0
112 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 8.06642 7.21868 11.988 9.0176 numMergedOcc 0
113 mol 134 unq 2 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 8.06642 11.988 7.21868 9.0176 numMergedOcc 0
114 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 8.06642 7.93372 11.988 9.0176 numMergedOcc 0
115 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 8.06642 11.988 7.93372 9.0176 numMergedOcc 0
116 mol 134 unq 3 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 4.00092 7.21868 7.93372 9.0176 numMergedOcc 0
117 mol 134 unq 3 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 4.00092 7.93372 7.21868 9.0176 numMergedOcc 0
118 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 5.42158 9.81178 10.6106 8.06308 numMergedOcc 0
119 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 5.42158 10.6106 9.81178 8.06308 numMergedOcc 0
120 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 7.67576 10.3151 7.81022 6.84862 14.4477 10.0233 8.43195 numMergedOcc 0
121 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 7.67576 7.81022 10.3151 6.84862 10.0233 14.4477 8.43195 numMergedOcc 0
122 mol 222 unq 1 iso 0 dist 8.01589 7.7699 10.4579 7.67576 10.3151 7.81022 9.53117 16.3082 11.839 8.23406 numMergedOcc 0
123 mol 222 unq 1 iso 1 dist 7.7699 8.01589 10.4579 7.67576 7.81022 10.3151 9.53117 11.839 16.3082 8.23406 numMergedOcc 0
124 mol 222 unq 2 iso 0 dist 8.01589 7.21333 13.3522 7.67576 10.3151 7.75656 6.84862 14.4477 5.56538 8.43195 numMergedOcc 0
125 mol 222 unq 2 iso 1 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 6.84862 5.56538 14.4477 8.43195 numMergedOcc 0
126 mol 222 unq 3 iso 0 dist 8.01589 7.21333 13.3522 7.67576 10.3151 7.75656 9.53117 16.3082 7.48954 8.23406 numMergedOcc 0
127 mol 222 unq 3 iso 1 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 9.53117 7.48954 16.3082 8.23406 numMergedOcc 0
128 mol 222 unq 2 iso 0 dist 7.7699 7.21333 5.24516 7.67576 7.81022 7.75656 6.84862 10.0233 5.56538 8.43195 numMergedOcc 0
129 mol 222 unq 2 iso 1 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 6.84862 5.56538 10.0233 8.43195 numMergedOcc 0
130 mol 222 unq 3 iso 0 dist 7.7699 7.21333 5.24516 7.67576 7.81022 7.75656 9.53117 11.839 7.48954 8.23406 numMergedOcc 0
131 mol 222 unq 3 iso 1 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 9.53117 7.48954 11.839 8.23406 numMergedOcc 0
132 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 7.43071 6.00424 6.35849 5.0317 10.7855 5.23634 9.18728 numMergedOcc 0
133 mol 227 unq 0 iso 1 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 5.0317 5.23634 10.7855 9.18728 numMergedOcc 0
134 mol 227 unq 1 iso 0 dist 9.34734 7.22101 6.99063 5.41321 10.7656 10.9607 5.0317 10.7855 5.23634 8.91971 numMergedOcc 0
135 mol 227 unq 1 iso 1 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 5.0317 5.23634 10.7855 8.91971 numMergedOcc 0
136 mol 227 unq 2 iso 0 dist 9.34734 8.65997 7.60506 7.43071 6.00424 10.204 5.0317 10.7855 6.91318 9.18728 numMergedOcc 0
137 mol 227 unq 2 iso 1 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 5.0317 6.91318 10.7855 9.18728 numMergedOcc 0
138 mol 227 unq 3 iso 0 dist 9.34734 8.65997 7.60506 5.41321 10.7656 9.72615 5.0317 10.7855 6.91318 8.91971 numMergedOcc 0
139 mol 227 unq 3 iso 1 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 5.0317 6.91318 10.7855 8.91971 numMergedOcc 0
140 mol 227 unq 4 iso 0 dist 9.34734 7.56888 7.43198 7.43071 6.00424 9.76735 5.0317 10.7855 11.2661 9.18728 numMergedOcc 0
141 mol 227 unq 4 iso 1 dist 7.56888 9.34734 7.43198 7.43071 9.76735 6.00424 5.0317 11.2661 10.7855 9.18728 numMergedOcc 0
142 mol 227 unq 5 iso 0 dist 9.34734 7.56888 7.43198 5.41321 10.7656 5.10635 5.0317 10.7855 11.2661 8.91971 numMergedOcc 0
143 mol 227 unq 5 iso 1 dist 7.56888 9.34734 7.43198 5.41321 5.10635 10.7656 5.0317 11.2661 10.7855 8.91971 numMergedOcc 0
144 mol 227 unq 6 iso 0 dist 9.34734 7.55216 9.51866 7.43071 6.00424 9.32448 5.0317 10.7855 12.3663 9.18728 numMergedOcc 0
145 mol 227 unq 6 iso 1 dist 7.55216 9.34734 9.51866 7.43071 9.32448 6.00424 5.0317 12.3663 10.7855 9.18728 numMergedOcc 0
146 mol 227 unq 7 iso 0 dist 9.34734 7.55216 9.51866 5.41321 10.7656 6.48027 5.0317 10.7855 12.3663 8.91971 numMergedOcc 0
147 mol 227 unq 7 iso 1 dist 7.55216 9.34734 9.51866 5.41321 6.48027 10.7656 5.0317 12.3663 10.7855 8.91971 numMergedOcc 0
148 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 5.0317 5.23634 6.91318 9.18728 numMergedOcc 0
149 mol 227 unq 2 iso 1 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 5.0317 6.91318 5.23634 9.18728 numMergedOcc 0
150 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 5.0317 5.23634 6.91318 8.91971 numMergedOcc 0
151 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 5.0317 6.91318 5.23634 8.91971 numMergedOcc 0
152 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 5.0317 5.23634 11.2661 9.18728 numMergedOcc 0
153 mol 227 unq 4 iso 1 dist 7.56888 7.22101 10.8658 7.43071 9.76735 6.35849 5.0317 11.2661 5.23634 9.18728 numMergedOcc 0
154 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 5.0317 5.23634 11.2661 8.91971 numMergedOcc 0
155 mol 227 unq 5 iso 1 dist 7.56888 7.22101 10.8658 5.41321 5.10635 10.9607 5.0317 11.2661 5.23634 8.91971 numMergedOcc 0
156 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 5.0317 5.23634 12.3663 9.18728 numMergedOcc 0
157 mol 227 unq 6 iso 1 dist 7.55216 7.22101 12.4689 7.43071 9.32448 6.35849 5.0317 12.3663 5.23634 9.18728 numMergedOcc 0
158 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 5.0317 5.23634 12.3663 8.91971 numMergedOcc 0
159 mol 227 unq 7 iso 1 dist 7.55216 7.22101 12.4689 5.41321 6.48027 10.9607 5.0317 12.3663 5.23634 8.91971 numMergedOcc 0
160 mol 227 unq 4 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 5.0317 6.91318 11.2661 9.18728 numMergedOcc 0
161 mol 227 unq 4 iso 1 dist 7.56888 8.65997 9.70012 7.43071 9.76735 10.204 5.0317 11.2661 6.91318 9.18728 numMergedOcc 0
162 mol 227 unq 5 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 5.0317 6.91318 11.2661 8.91971 numMergedOcc 0
163 mol 227 unq 5 iso 1 dist 7.56888 8.65997 9.70012 5.41321 5.10635 9.72615 5.0317 11.2661 6.91318 8.91971 numMergedOcc 0
164 mol 227 unq 6 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 5.0317 6.91318 12.3663 9.18728 numMergedOcc 0
165 mol 227 unq 6 iso 1 dist 7.55216 8.65997 12.9332 7.43071 9.32448 10.204 5.0317 12.3663 6.91318 9.18728 numMergedOcc 0
166 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 5.0317 6.91318 12.3663 8.91971 numMergedOcc 0
167 mol 227 unq 7 iso 1 dist 7.55216 8.65997 12.9332 5.41321 6.48027 9.72615 5.0317 12.3663 6.91318 8.91971 numMergedOcc 0
168 mol 227 unq 6 iso 0 dist 7.56888 7.55216 4.48529 7.43071 9.76735 9.32448 5.0317 11.2661 12.3663 9.18728 numMergedOcc 0
169 mol 227 unq 6 iso 1 dist 7.55216 7.56888 4.48529 7.43071 9.32448 9.76735 5.0317 12.3663 11.2661 9.18728 numMergedOcc 0
170 mol 227 unq 7 iso 0 dist 7.56888 7.55216 4.48529 5.41321 5.10635 6.48027 5.0317 11.2661 12.3663 8.91971 numMergedOcc 0
171 mol 227 unq 7 iso 1 dist 7.55216 7.56888 4.48529 5.41321 6.48027 5.10635 5.0317 12.3663 11.2661 8.91971 numMergedOcc 0
172 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 7.79066 9.0443 12.1512 4.15084 9.97669 11.4076 9.60504 numMergedOcc 0
173 mol 231 unq 0 iso 1 dist 8.40182 7.37839 4.06055 7.79066 12.1512 9.0443 4.15084 11.4076 9.97669 9.60504 numMergedOcc 0
174 mol 234 unq 0 iso 0 dist 8.41436 8.92474 8.62358 7.32499 10.7902 4.4288 13.1872 17.3846 11.3419 7.77911 numMergedOcc 0
175 mol 234 unq 0 iso 1 dist 8.92474 8.41436 8.62358 7.32499 4.4288 10.7902 13.1872 11.3419 17.3846 7.77911 numMergedOcc 0
