0 mol 24 unq 0 iso 0 dist 6.6219 5.68215 10.512 8.23075 10.1923 9.24731 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 5.68215 6.6219 10.512 8.23075 9.24731 10.1923 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.6219 5.68215 10.512 4.7841 9.92483 3.53396 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 5.68215 6.6219 10.512 4.7841 3.53396 9.92483 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 7.17488 10.5853 5.11422 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 8.01308 8.96727 6.20884 7.17488 5.11422 10.5853 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 6.62699 4.38233 5.62585 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 5.03251 6.21799 3.43675 6.62699 5.62585 4.38233 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.21799 7.66093 5.75711 6.62699 4.38233 9.84528 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 7.66093 6.21799 5.75711 6.62699 9.84528 4.38233 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 5.03251 7.66093 5.26077 6.62699 5.62585 9.84528 numMergedOcc 0
11 mol 72 unq 1 iso 1 dist 7.66093 5.03251 5.26077 6.62699 9.84528 5.62585 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.72682 6.45841 11.9298 8.62079 14.0236 11.9118 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 6.45841 8.72682 11.9298 8.62079 11.9118 14.0236 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 8.72682 5.61588 9.76138 8.62079 14.0236 10.0644 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 5.61588 8.72682 9.76138 8.62079 10.0644 14.0236 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 8.72682 7.83244 5.81659 8.62079 14.0236 12.1501 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 7.83244 8.72682 5.81659 8.62079 12.1501 14.0236 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 6.45841 5.61588 3.32668 8.62079 11.9118 10.0644 numMergedOcc 0
19 mol 73 unq 1 iso 1 dist 5.61588 6.45841 3.32668 8.62079 10.0644 11.9118 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 6.45841 7.83244 8.07648 8.62079 11.9118 12.1501 numMergedOcc 0
21 mol 73 unq 2 iso 1 dist 7.83244 6.45841 8.07648 8.62079 12.1501 11.9118 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 5.5087 6.08682 5.30471 7.37171 10.0644 12.1501 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 6.08682 5.5087 5.30471 7.37171 12.1501 10.0644 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 5.61588 7.83244 5.30471 8.62079 10.0644 12.1501 numMergedOcc 0
25 mol 73 unq 2 iso 1 dist 7.83244 5.61588 5.30471 8.62079 12.1501 10.0644 numMergedOcc 0
26 mol 78 unq 0 iso 0 dist 6.85523 5.77326 8.2592 7.91148 6.99884 4.75637 numMergedOcc 0
27 mol 78 unq 0 iso 1 dist 5.77326 6.85523 8.2592 7.91148 4.75637 6.99884 numMergedOcc 0
28 mol 78 unq 1 iso 0 dist 6.85523 5.77326 8.2592 6.59794 3.75261 5.62063 numMergedOcc 0
29 mol 78 unq 1 iso 1 dist 5.77326 6.85523 8.2592 6.59794 5.62063 3.75261 numMergedOcc 0
30 mol 78 unq 2 iso 0 dist 6.85523 5.77326 8.2592 8.34957 10.6388 3.81575 numMergedOcc 0
31 mol 78 unq 2 iso 1 dist 5.77326 6.85523 8.2592 8.34957 3.81575 10.6388 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 6.69691 5.51197 5.94312 7.97548 9.74071 9.87781 numMergedOcc 0
33 mol 129 unq 0 iso 1 dist 5.51197 6.69691 5.94312 7.97548 9.87781 9.74071 numMergedOcc 0
34 mol 129 unq 1 iso 0 dist 6.69691 5.51197 5.94312 9.64164 6.92699 9.93375 numMergedOcc 0
35 mol 129 unq 1 iso 1 dist 5.51197 6.69691 5.94312 9.64164 9.93375 6.92699 numMergedOcc 0
36 mol 129 unq 2 iso 0 dist 6.69691 8.86944 5.35495 7.97548 9.74071 13.8096 numMergedOcc 0
37 mol 129 unq 2 iso 1 dist 8.86944 6.69691 5.35495 7.97548 13.8096 9.74071 numMergedOcc 0
38 mol 129 unq 3 iso 0 dist 6.69691 8.86944 5.35495 9.64164 6.92699 11.221 numMergedOcc 0
39 mol 129 unq 3 iso 1 dist 8.86944 6.69691 5.35495 9.64164 11.221 6.92699 numMergedOcc 0
40 mol 129 unq 2 iso 0 dist 5.51197 8.86944 9.74141 7.97548 9.87781 13.8096 numMergedOcc 0
41 mol 129 unq 2 iso 1 dist 8.86944 5.51197 9.74141 7.97548 13.8096 9.87781 numMergedOcc 0
42 mol 129 unq 3 iso 0 dist 5.51197 8.86944 9.74141 9.64164 9.93375 11.221 numMergedOcc 0
43 mol 129 unq 3 iso 1 dist 8.86944 5.51197 9.74141 9.64164 11.221 9.93375 numMergedOcc 0
44 mol 143 unq 0 iso 0 dist 7.36975 5.40637 10.1474 8.99891 14.4074 5.94217 numMergedOcc 0
45 mol 143 unq 0 iso 1 dist 5.40637 7.36975 10.1474 8.99891 5.94217 14.4074 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 6.59889 8.9192 3.55572 7.55934 5.12696 6.04238 numMergedOcc 0
47 mol 152 unq 0 iso 1 dist 8.9192 6.59889 3.55572 7.55934 6.04238 5.12696 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 6.64173 9.01624 11.196 8.29467 5.09584 11.4645 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 9.01624 6.64173 11.196 8.29467 11.4645 5.09584 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 6.64173 9.55105 10.1041 8.29467 5.09584 11.5807 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 9.55105 6.64173 10.1041 8.29467 11.5807 5.09584 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 8.29467 11.4645 11.5807 numMergedOcc 0
53 mol 181 unq 1 iso 1 dist 9.55105 9.01624 3.55187 8.29467 11.5807 11.4645 numMergedOcc 0
54 mol 184 unq 0 iso 0 dist 8.97589 5.96423 5.33725 9.84566 6.68311 9.71065 numMergedOcc 0
55 mol 184 unq 0 iso 1 dist 5.96423 8.97589 5.33725 9.84566 9.71065 6.68311 numMergedOcc 0
56 mol 184 unq 1 iso 0 dist 8.97589 5.96423 5.33725 8.22001 3.88698 3.30691 numMergedOcc 0
57 mol 184 unq 1 iso 1 dist 5.96423 8.97589 5.33725 8.22001 3.30691 3.88698 numMergedOcc 0
58 mol 188 unq 0 iso 0 dist 7.88013 9.90062 3.68927 7.86092 3.42559 6.93096 numMergedOcc 0
59 mol 188 unq 0 iso 1 dist 9.90062 7.88013 3.68927 7.86092 6.93096 3.42559 numMergedOcc 0
60 mol 197 unq 0 iso 0 dist 9.10817 9.73548 16.8666 9.23086 17.435 4.91041 numMergedOcc 0
61 mol 197 unq 0 iso 1 dist 9.73548 9.10817 16.8666 9.23086 4.91041 17.435 numMergedOcc 0
62 mol 251 unq 0 iso 0 dist 7.39775 6.50357 3.63976 8.45764 5.79539 3.45567 numMergedOcc 0
63 mol 251 unq 0 iso 1 dist 6.50357 7.39775 3.63976 8.45764 3.45567 5.79539 numMergedOcc 0
64 mol 270 unq 0 iso 0 dist 9.31275 8.56508 5.42225 8.65354 7.2389 3.30547 numMergedOcc 0
65 mol 270 unq 0 iso 1 dist 8.56508 9.31275 5.42225 8.65354 3.30547 7.2389 numMergedOcc 0
66 mol 277 unq 0 iso 0 dist 9.35539 8.9682 16.9644 4.9764 13.2853 5.9732 numMergedOcc 0
67 mol 277 unq 0 iso 1 dist 8.9682 9.35539 16.9644 4.9764 5.9732 13.2853 numMergedOcc 0
68 mol 277 unq 1 iso 0 dist 9.35539 8.9682 16.9644 6.36559 12.4985 8.61922 numMergedOcc 0
69 mol 277 unq 1 iso 1 dist 8.9682 9.35539 16.9644 6.36559 8.61922 12.4985 numMergedOcc 0
70 mol 277 unq 2 iso 0 dist 9.35539 6.92711 15.8851 4.9764 13.2853 3.79766 numMergedOcc 0
71 mol 277 unq 2 iso 1 dist 6.92711 9.35539 15.8851 4.9764 3.79766 13.2853 numMergedOcc 0
72 mol 277 unq 3 iso 0 dist 9.35539 6.92711 15.8851 6.36559 12.4985 7.07613 numMergedOcc 0
73 mol 277 unq 3 iso 1 dist 6.92711 9.35539 15.8851 6.36559 7.07613 12.4985 numMergedOcc 0
74 mol 277 unq 4 iso 0 dist 5.46926 5.13913 3.39114 7.42932 5.9732 3.79766 numMergedOcc 0
75 mol 277 unq 4 iso 1 dist 5.13913 5.46926 3.39114 7.42932 3.79766 5.9732 numMergedOcc 0
76 mol 277 unq 2 iso 0 dist 8.9682 6.92711 3.39114 4.9764 5.9732 3.79766 numMergedOcc 0
77 mol 277 unq 2 iso 1 dist 6.92711 8.9682 3.39114 4.9764 3.79766 5.9732 numMergedOcc 0
78 mol 277 unq 3 iso 0 dist 8.9682 6.92711 3.39114 6.36559 8.61922 7.07613 numMergedOcc 0
79 mol 277 unq 3 iso 1 dist 6.92711 8.9682 3.39114 6.36559 7.07613 8.61922 numMergedOcc 0
80 mol 292 unq 0 iso 0 dist 9.46442 7.30758 3.57128 9.96374 3.08474 6.12546 numMergedOcc 0
81 mol 292 unq 0 iso 1 dist 7.30758 9.46442 3.57128 9.96374 6.12546 3.08474 numMergedOcc 0
82 mol 292 unq 1 iso 0 dist 9.46442 7.30758 3.57128 5.41432 7.07029 5.21887 numMergedOcc 0
83 mol 292 unq 1 iso 1 dist 7.30758 9.46442 3.57128 5.41432 5.21887 7.07029 numMergedOcc 0
84 mol 292 unq 2 iso 0 dist 9.46442 9.5785 11.3907 9.96374 3.08474 12.0714 numMergedOcc 0
85 mol 292 unq 2 iso 1 dist 9.5785 9.46442 11.3907 9.96374 12.0714 3.08474 numMergedOcc 0
86 mol 292 unq 3 iso 0 dist 9.46442 9.5785 11.3907 5.41432 7.07029 5.33188 numMergedOcc 0
87 mol 292 unq 3 iso 1 dist 9.5785 9.46442 11.3907 5.41432 5.33188 7.07029 numMergedOcc 0
88 mol 292 unq 4 iso 0 dist 9.46442 9.76319 13.609 9.96374 3.08474 12.7236 numMergedOcc 0
89 mol 292 unq 4 iso 1 dist 9.76319 9.46442 13.609 9.96374 12.7236 3.08474 numMergedOcc 0
90 mol 292 unq 5 iso 0 dist 9.46442 9.76319 13.609 5.41432 7.07029 8.5186 numMergedOcc 0
91 mol 292 unq 5 iso 1 dist 9.76319 9.46442 13.609 5.41432 8.5186 7.07029 numMergedOcc 0
92 mol 292 unq 2 iso 0 dist 7.30758 9.5785 10.0941 9.96374 6.12546 12.0714 numMergedOcc 0
93 mol 292 unq 2 iso 1 dist 9.5785 7.30758 10.0941 9.96374 12.0714 6.12546 numMergedOcc 0
94 mol 292 unq 3 iso 0 dist 7.30758 9.5785 10.0941 5.41432 5.21887 5.33188 numMergedOcc 0
95 mol 292 unq 3 iso 1 dist 9.5785 7.30758 10.0941 5.41432 5.33188 5.21887 numMergedOcc 0
96 mol 292 unq 4 iso 0 dist 7.30758 9.76319 13.2166 9.96374 6.12546 12.7236 numMergedOcc 0
97 mol 292 unq 4 iso 1 dist 9.76319 7.30758 13.2166 9.96374 12.7236 6.12546 numMergedOcc 0
98 mol 292 unq 5 iso 0 dist 7.30758 9.76319 13.2166 5.41432 5.21887 8.5186 numMergedOcc 0
99 mol 292 unq 5 iso 1 dist 9.76319 7.30758 13.2166 5.41432 8.5186 5.21887 numMergedOcc 0
100 mol 292 unq 6 iso 0 dist 7.20674 8.38121 9.14614 6.69619 8.76061 12.1704 numMergedOcc 0
101 mol 292 unq 6 iso 1 dist 8.38121 7.20674 9.14614 6.69619 12.1704 8.76061 numMergedOcc 0
102 mol 292 unq 7 iso 0 dist 7.20674 8.38121 9.14614 4.49592 9.42231 11.9106 numMergedOcc 0
103 mol 292 unq 7 iso 1 dist 8.38121 7.20674 9.14614 4.49592 11.9106 9.42231 numMergedOcc 0
104 mol 292 unq 8 iso 0 dist 9.90967 9.9886 8.10966 9.93746 5.04658 3.44186 numMergedOcc 0
105 mol 292 unq 8 iso 1 dist 9.9886 9.90967 8.10966 9.93746 3.44186 5.04658 numMergedOcc 0
106 mol 292 unq 4 iso 0 dist 9.5785 9.76319 7.00706 9.96374 12.0714 12.7236 numMergedOcc 0
107 mol 292 unq 4 iso 1 dist 9.76319 9.5785 7.00706 9.96374 12.7236 12.0714 numMergedOcc 0
108 mol 292 unq 5 iso 0 dist 9.5785 9.76319 7.00706 5.41432 5.33188 8.5186 numMergedOcc 0
109 mol 292 unq 5 iso 1 dist 9.76319 9.5785 7.00706 5.41432 8.5186 5.33188 numMergedOcc 0
