0 mol 25 unq 0 iso 0 dist 8.46842 5.03904 4.79873 16.8735 9.48085 12.7147 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 8.46842 16.8735 9.48085 5.03904 4.79873 12.7147 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.09258 7.54321 6.21799 5.2819 5.03251 3.43675 numMergedOcc 0
3 mol 72 unq 0 iso 1 dist 7.09258 5.2819 5.03251 7.54321 6.21799 3.43675 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 7.09258 7.54321 6.21799 3.53164 7.66093 5.75711 numMergedOcc 0
5 mol 72 unq 1 iso 1 dist 7.09258 3.53164 7.66093 7.54321 6.21799 5.75711 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 7.09258 5.2819 5.03251 3.53164 7.66093 5.26077 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 7.09258 3.53164 7.66093 5.2819 5.03251 5.26077 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.28058 15.8189 8.72682 9.77994 6.45841 11.9298 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 7.28058 9.77994 6.45841 15.8189 8.72682 11.9298 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.28058 15.8189 8.72682 10.8484 5.61588 9.76138 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 7.28058 10.8484 5.61588 15.8189 8.72682 9.76138 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 7.28058 15.8189 8.72682 14.7963 7.83244 5.81659 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 7.28058 14.7963 7.83244 15.8189 8.72682 5.81659 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 7.28058 9.77994 6.45841 10.8484 5.61588 3.32668 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 7.28058 10.8484 5.61588 9.77994 6.45841 3.32668 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 7.28058 9.77994 6.45841 14.7963 7.83244 8.07648 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 7.28058 14.7963 7.83244 9.77994 6.45841 8.07648 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 7.28058 10.8484 5.61588 14.7963 7.83244 5.30471 numMergedOcc 0
19 mol 73 unq 2 iso 1 dist 7.28058 14.7963 7.83244 10.8484 5.61588 5.30471 numMergedOcc 0
20 mol 78 unq 0 iso 0 dist 8.40871 10.8182 6.85523 3.48199 5.77326 8.2592 numMergedOcc 0
21 mol 78 unq 0 iso 1 dist 8.40871 3.48199 5.77326 10.8182 6.85523 8.2592 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 6.5136 5.9335 9.3948 9.88003 9.74607 8.00584 numMergedOcc 0
23 mol 95 unq 0 iso 1 dist 6.5136 9.88003 9.74607 5.9335 9.3948 8.00584 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 9.48388 4.54306 7.78931 10.9661 8.7497 6.70343 numMergedOcc 0
25 mol 98 unq 0 iso 1 dist 9.48388 10.9661 8.7497 4.54306 7.78931 6.70343 numMergedOcc 0
26 mol 112 unq 0 iso 0 dist 9.13413 11.7536 8.47988 5.8662 8.0427 6.38762 numMergedOcc 0
27 mol 112 unq 0 iso 1 dist 9.13413 5.8662 8.0427 11.7536 8.47988 6.38762 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.1421 3.82645 6.69691 5.75588 5.51197 5.94312 numMergedOcc 0
29 mol 129 unq 0 iso 1 dist 6.1421 5.75588 5.51197 3.82645 6.69691 5.94312 numMergedOcc 0
30 mol 129 unq 1 iso 0 dist 6.1421 3.82645 6.69691 4.18263 8.86944 5.35495 numMergedOcc 0
31 mol 129 unq 1 iso 1 dist 6.1421 4.18263 8.86944 3.82645 6.69691 5.35495 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 6.1421 5.75588 5.51197 4.18263 8.86944 9.74141 numMergedOcc 0
33 mol 129 unq 1 iso 1 dist 6.1421 4.18263 8.86944 5.75588 5.51197 9.74141 numMergedOcc 0
34 mol 129 unq 2 iso 0 dist 9.54663 5.71616 6.69691 11.0564 5.51197 5.94312 numMergedOcc 0
35 mol 129 unq 2 iso 1 dist 9.54663 11.0564 5.51197 5.71616 6.69691 5.94312 numMergedOcc 0
36 mol 129 unq 3 iso 0 dist 9.54663 5.71616 6.69691 7.22602 8.86944 5.35495 numMergedOcc 0
37 mol 129 unq 3 iso 1 dist 9.54663 7.22602 8.86944 5.71616 6.69691 5.35495 numMergedOcc 0
38 mol 129 unq 3 iso 0 dist 9.54663 11.0564 5.51197 7.22602 8.86944 9.74141 numMergedOcc 0
39 mol 129 unq 3 iso 1 dist 9.54663 7.22602 8.86944 11.0564 5.51197 9.74141 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 7.31419 6.4405 5.35237 3.64555 8.70621 6.05407 numMergedOcc 0
41 mol 134 unq 0 iso 1 dist 7.31419 3.64555 8.70621 6.4405 5.35237 6.05407 numMergedOcc 0
42 mol 184 unq 0 iso 0 dist 7.54454 6.63528 9.90822 3.75201 6.73504 9.88527 numMergedOcc 0
43 mol 184 unq 0 iso 1 dist 7.54454 3.75201 6.73504 6.63528 9.90822 9.88527 numMergedOcc 0
44 mol 197 unq 0 iso 0 dist 7.18765 4.26432 9.10817 14.0652 9.73548 16.8666 numMergedOcc 0
45 mol 197 unq 0 iso 1 dist 7.18765 14.0652 9.73548 4.26432 9.10817 16.8666 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 9.89728 13.7396 5.85442 15.7491 6.95511 3.51848 numMergedOcc 0
47 mol 259 unq 0 iso 1 dist 9.89728 15.7491 6.95511 13.7396 5.85442 3.51848 numMergedOcc 0
48 mol 270 unq 0 iso 0 dist 9.02113 4.65147 9.31275 7.14116 8.56508 5.42225 numMergedOcc 0
49 mol 270 unq 0 iso 1 dist 9.02113 7.14116 8.56508 4.65147 9.31275 5.42225 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 6.86014 11.4058 9.35539 14.6762 8.9682 16.9644 numMergedOcc 0
51 mol 277 unq 0 iso 1 dist 6.86014 14.6762 8.9682 11.4058 9.35539 16.9644 numMergedOcc 0
52 mol 277 unq 1 iso 0 dist 6.86014 11.4058 9.35539 11.68 6.92711 15.8851 numMergedOcc 0
53 mol 277 unq 1 iso 1 dist 6.86014 11.68 6.92711 11.4058 9.35539 15.8851 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 6.86014 14.6762 8.9682 11.68 6.92711 3.39114 numMergedOcc 0
55 mol 277 unq 1 iso 1 dist 6.86014 11.68 6.92711 14.6762 8.9682 3.39114 numMergedOcc 0
56 mol 277 unq 2 iso 0 dist 5.97073 6.9003 9.35539 11.3103 8.9682 16.9644 numMergedOcc 0
57 mol 277 unq 2 iso 1 dist 5.97073 11.3103 8.9682 6.9003 9.35539 16.9644 numMergedOcc 0
58 mol 277 unq 3 iso 0 dist 5.97073 6.9003 9.35539 10.5734 6.92711 15.8851 numMergedOcc 0
59 mol 277 unq 3 iso 1 dist 5.97073 10.5734 6.92711 6.9003 9.35539 15.8851 numMergedOcc 0
60 mol 277 unq 3 iso 0 dist 5.97073 11.3103 8.9682 10.5734 6.92711 3.39114 numMergedOcc 0
61 mol 277 unq 3 iso 1 dist 5.97073 10.5734 6.92711 11.3103 8.9682 3.39114 numMergedOcc 0
62 mol 277 unq 4 iso 0 dist 8.23147 6.40883 5.46926 6.79352 5.13913 3.39114 numMergedOcc 0
63 mol 277 unq 4 iso 1 dist 8.23147 6.79352 5.13913 6.40883 5.46926 3.39114 numMergedOcc 0
64 mol 277 unq 5 iso 0 dist 6.49176 11.7592 9.35539 6.40883 8.9682 16.9644 numMergedOcc 0
65 mol 277 unq 5 iso 1 dist 6.49176 6.40883 8.9682 11.7592 9.35539 16.9644 numMergedOcc 0
66 mol 277 unq 6 iso 0 dist 6.49176 11.7592 9.35539 6.79352 6.92711 15.8851 numMergedOcc 0
67 mol 277 unq 6 iso 1 dist 6.49176 6.79352 6.92711 11.7592 9.35539 15.8851 numMergedOcc 0
68 mol 277 unq 6 iso 0 dist 6.49176 6.40883 8.9682 6.79352 6.92711 3.39114 numMergedOcc 0
69 mol 277 unq 6 iso 1 dist 6.49176 6.79352 6.92711 6.40883 8.9682 3.39114 numMergedOcc 0
70 mol 277 unq 7 iso 0 dist 8.20217 6.68571 5.46926 9.44642 5.13913 3.39114 numMergedOcc 0
71 mol 277 unq 7 iso 1 dist 8.20217 9.44642 5.13913 6.68571 5.46926 3.39114 numMergedOcc 0
72 mol 292 unq 0 iso 0 dist 7.29148 14.9639 9.9182 13.1177 8.9221 9.43063 numMergedOcc 0
73 mol 292 unq 0 iso 1 dist 7.29148 13.1177 8.9221 14.9639 9.9182 9.43063 numMergedOcc 0
74 mol 292 unq 1 iso 0 dist 6.02089 6.38012 9.90967 6.03672 9.9886 8.10966 numMergedOcc 0
75 mol 292 unq 1 iso 1 dist 6.02089 6.03672 9.9886 6.38012 9.90967 8.10966 numMergedOcc 0
76 mol 292 unq 2 iso 0 dist 6.87804 4.77692 7.20674 6.38012 8.38121 9.14614 numMergedOcc 0
77 mol 292 unq 2 iso 1 dist 6.87804 6.38012 8.38121 4.77692 7.20674 9.14614 numMergedOcc 0
78 mol 292 unq 3 iso 0 dist 8.54692 9.76733 9.46442 9.47804 7.30758 3.57128 numMergedOcc 0
79 mol 292 unq 3 iso 1 dist 8.54692 9.47804 7.30758 9.76733 9.46442 3.57128 numMergedOcc 0
80 mol 292 unq 4 iso 0 dist 8.54692 9.76733 9.46442 4.13273 9.5785 11.3907 numMergedOcc 0
81 mol 292 unq 4 iso 1 dist 8.54692 4.13273 9.5785 9.76733 9.46442 11.3907 numMergedOcc 0
82 mol 292 unq 5 iso 0 dist 8.54692 9.76733 9.46442 4.58207 9.76319 13.609 numMergedOcc 0
83 mol 292 unq 5 iso 1 dist 8.54692 4.58207 9.76319 9.76733 9.46442 13.609 numMergedOcc 0
84 mol 292 unq 4 iso 0 dist 8.54692 9.47804 7.30758 4.13273 9.5785 10.0941 numMergedOcc 0
85 mol 292 unq 4 iso 1 dist 8.54692 4.13273 9.5785 9.47804 7.30758 10.0941 numMergedOcc 0
86 mol 292 unq 5 iso 0 dist 8.54692 9.47804 7.30758 4.58207 9.76319 13.2166 numMergedOcc 0
87 mol 292 unq 5 iso 1 dist 8.54692 4.58207 9.76319 9.47804 7.30758 13.2166 numMergedOcc 0
88 mol 292 unq 5 iso 0 dist 8.54692 4.13273 9.5785 4.58207 9.76319 7.00706 numMergedOcc 0
89 mol 292 unq 5 iso 1 dist 8.54692 4.58207 9.76319 4.13273 9.5785 7.00706 numMergedOcc 0
90 mol 292 unq 6 iso 0 dist 6.07571 11.6413 7.20674 14.3549 8.38121 9.14614 numMergedOcc 0
91 mol 292 unq 6 iso 1 dist 6.07571 14.3549 8.38121 11.6413 7.20674 9.14614 numMergedOcc 0
