0 mol 0 unq 0 iso 0 dist 8.31596 6.3267 8.8123 5.75315 11.6716 6.78129 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 6.3267 8.31596 8.8123 5.75315 6.78129 11.6716 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.2199 6.9513 6.27573 9.81658 3.91075 8.25089 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.9513 7.2199 6.27573 9.81658 8.25089 3.91075 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.2199 9.16116 11.1737 9.81658 3.91075 12.0874 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 9.16116 7.2199 11.1737 9.81658 12.0874 3.91075 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 7.2199 8.47109 10.9842 9.81658 3.91075 14.6279 numMergedOcc 0
7 mol 9 unq 2 iso 1 dist 8.47109 7.2199 10.9842 9.81658 14.6279 3.91075 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 6.9513 9.16116 5.63132 9.81658 8.25089 12.0874 numMergedOcc 0
9 mol 9 unq 1 iso 1 dist 9.16116 6.9513 5.63132 9.81658 12.0874 8.25089 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 6.9513 8.47109 12.6338 9.81658 8.25089 14.6279 numMergedOcc 0
11 mol 9 unq 2 iso 1 dist 8.47109 6.9513 12.6338 9.81658 14.6279 8.25089 numMergedOcc 0
12 mol 9 unq 2 iso 0 dist 9.16116 8.47109 16.406 9.81658 12.0874 14.6279 numMergedOcc 0
13 mol 9 unq 2 iso 1 dist 8.47109 9.16116 16.406 9.81658 14.6279 12.0874 numMergedOcc 0
14 mol 32 unq 0 iso 0 dist 7.18766 7.48825 9.61004 7.11053 5.19476 8.73368 numMergedOcc 0
15 mol 32 unq 0 iso 1 dist 7.48825 7.18766 9.61004 7.11053 8.73368 5.19476 numMergedOcc 0
16 mol 34 unq 0 iso 0 dist 8.55901 9.03412 10.3706 8.38156 10.4688 5.60198 numMergedOcc 0
17 mol 34 unq 0 iso 1 dist 9.03412 8.55901 10.3706 8.38156 5.60198 10.4688 numMergedOcc 0
18 mol 34 unq 1 iso 0 dist 8.55901 9.03412 10.3706 7.79336 10.3961 9.85481 numMergedOcc 0
19 mol 34 unq 1 iso 1 dist 9.03412 8.55901 10.3706 7.79336 9.85481 10.3961 numMergedOcc 0
20 mol 34 unq 2 iso 0 dist 8.55901 9.03412 10.3706 7.08559 7.52709 10.3431 numMergedOcc 0
21 mol 34 unq 2 iso 1 dist 9.03412 8.55901 10.3706 7.08559 10.3431 7.52709 numMergedOcc 0
22 mol 39 unq 0 iso 0 dist 8.43814 8.16689 6.26783 8.94353 3.82528 6.18816 numMergedOcc 0
23 mol 39 unq 0 iso 1 dist 8.16689 8.43814 6.26783 8.94353 6.18816 3.82528 numMergedOcc 0
24 mol 39 unq 1 iso 0 dist 8.43814 8.16689 6.26783 7.30265 10.9581 6.18136 numMergedOcc 0
25 mol 39 unq 1 iso 1 dist 8.16689 8.43814 6.26783 7.30265 6.18136 10.9581 numMergedOcc 0
26 mol 45 unq 0 iso 0 dist 8.59109 8.13782 14.5783 5.81001 11.9463 4.51883 numMergedOcc 0
27 mol 45 unq 0 iso 1 dist 8.13782 8.59109 14.5783 5.81001 4.51883 11.9463 numMergedOcc 0
28 mol 72 unq 0 iso 0 dist 9.19459 8.59747 4.64409 9.14817 9.88768 12.6041 numMergedOcc 0
29 mol 72 unq 0 iso 1 dist 8.59747 9.19459 4.64409 9.14817 12.6041 9.88768 numMergedOcc 0
30 mol 72 unq 1 iso 0 dist 9.19459 8.59747 4.64409 9.76686 12.9007 15.1279 numMergedOcc 0
31 mol 72 unq 1 iso 1 dist 8.59747 9.19459 4.64409 9.76686 15.1279 12.9007 numMergedOcc 0
32 mol 72 unq 2 iso 0 dist 9.19459 8.59747 4.64409 9.437 12.9235 13.879 numMergedOcc 0
33 mol 72 unq 2 iso 1 dist 8.59747 9.19459 4.64409 9.437 13.879 12.9235 numMergedOcc 0
34 mol 88 unq 0 iso 0 dist 7.71582 6.65776 4.61166 5.28732 6.67934 4.39545 numMergedOcc 0
35 mol 88 unq 0 iso 1 dist 6.65776 7.71582 4.61166 5.28732 4.39545 6.67934 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 7.99631 6.40036 9.37623 8.0168 6.04071 5.65471 numMergedOcc 0
37 mol 115 unq 0 iso 1 dist 6.40036 7.99631 9.37623 8.0168 5.65471 6.04071 numMergedOcc 0
38 mol 133 unq 0 iso 0 dist 9.94276 9.05357 7.38238 9.10003 7.789 6.11311 numMergedOcc 0
39 mol 133 unq 0 iso 1 dist 9.05357 9.94276 7.38238 9.10003 6.11311 7.789 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 9.94276 5.99299 7.08159 9.10003 7.789 5.74928 numMergedOcc 0
41 mol 133 unq 1 iso 1 dist 5.99299 9.94276 7.08159 9.10003 5.74928 7.789 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 9.05357 5.99299 9.00907 9.10003 6.11311 5.74928 numMergedOcc 0
43 mol 133 unq 1 iso 1 dist 5.99299 9.05357 9.00907 9.10003 5.74928 6.11311 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 8.57853 6.75035 8.16398 8.61306 16.2592 10.1772 numMergedOcc 0
45 mol 218 unq 0 iso 1 dist 6.75035 8.57853 8.16398 8.61306 10.1772 16.2592 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 8.75834 9.36396 15.6443 5.93063 11.3004 11.0634 numMergedOcc 0
47 mol 225 unq 0 iso 1 dist 9.36396 8.75834 15.6443 5.93063 11.0634 11.3004 numMergedOcc 0
48 mol 225 unq 1 iso 0 dist 8.75834 7.51827 14.0478 8.91356 3.92979 13.317 numMergedOcc 0
49 mol 225 unq 1 iso 1 dist 7.51827 8.75834 14.0478 8.91356 13.317 3.92979 numMergedOcc 0
50 mol 225 unq 2 iso 0 dist 8.75834 7.51827 14.0478 9.57455 9.35263 8.90754 numMergedOcc 0
51 mol 225 unq 2 iso 1 dist 7.51827 8.75834 14.0478 9.57455 8.90754 9.35263 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 8.49841 9.6101 10.9755 8.27411 6.00588 13.9373 numMergedOcc 0
53 mol 234 unq 0 iso 1 dist 9.6101 8.49841 10.9755 8.27411 13.9373 6.00588 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 8.49841 9.6101 10.9755 6.96257 14.8966 10.72 numMergedOcc 0
55 mol 234 unq 1 iso 1 dist 9.6101 8.49841 10.9755 6.96257 10.72 14.8966 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 9.6101 5.32183 9.35875 7.20293 11.8229 6.45373 numMergedOcc 0
57 mol 234 unq 2 iso 1 dist 5.32183 9.6101 9.35875 7.20293 6.45373 11.8229 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 6.65088 6.5772 5.44694 9.84652 13.037 9.75095 numMergedOcc 0
59 mol 238 unq 0 iso 1 dist 6.5772 6.65088 5.44694 9.84652 9.75095 13.037 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 6.65088 8.70193 10.6286 9.84652 13.037 11.7709 numMergedOcc 0
61 mol 238 unq 1 iso 1 dist 8.70193 6.65088 10.6286 9.84652 11.7709 13.037 numMergedOcc 0
62 mol 238 unq 2 iso 0 dist 6.65088 6.17025 10.1756 9.84652 13.037 6.12722 numMergedOcc 0
63 mol 238 unq 2 iso 1 dist 6.17025 6.65088 10.1756 9.84652 6.12722 13.037 numMergedOcc 0
64 mol 238 unq 3 iso 0 dist 6.65088 9.0378 13.0634 9.84652 13.037 12.1711 numMergedOcc 0
65 mol 238 unq 3 iso 1 dist 9.0378 6.65088 13.0634 9.84652 12.1711 13.037 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 6.5772 8.70193 6.32518 9.84652 9.75095 11.7709 numMergedOcc 0
67 mol 238 unq 1 iso 1 dist 8.70193 6.5772 6.32518 9.84652 11.7709 9.75095 numMergedOcc 0
68 mol 238 unq 2 iso 0 dist 6.5772 6.17025 9.50847 9.84652 9.75095 6.12722 numMergedOcc 0
69 mol 238 unq 2 iso 1 dist 6.17025 6.5772 9.50847 9.84652 6.12722 9.75095 numMergedOcc 0
70 mol 238 unq 3 iso 0 dist 6.5772 9.0378 14.4744 9.84652 9.75095 12.1711 numMergedOcc 0
71 mol 238 unq 3 iso 1 dist 9.0378 6.5772 14.4744 9.84652 12.1711 9.75095 numMergedOcc 0
72 mol 238 unq 2 iso 0 dist 8.70193 6.17025 12.6266 9.84652 11.7709 6.12722 numMergedOcc 0
73 mol 238 unq 2 iso 1 dist 6.17025 8.70193 12.6266 9.84652 6.12722 11.7709 numMergedOcc 0
74 mol 238 unq 3 iso 0 dist 8.70193 9.0378 17.3008 9.84652 11.7709 12.1711 numMergedOcc 0
75 mol 238 unq 3 iso 1 dist 9.0378 8.70193 17.3008 9.84652 12.1711 11.7709 numMergedOcc 0
76 mol 238 unq 3 iso 0 dist 6.17025 9.0378 6.34909 9.84652 6.12722 12.1711 numMergedOcc 0
77 mol 238 unq 3 iso 1 dist 9.0378 6.17025 6.34909 9.84652 12.1711 6.12722 numMergedOcc 0
78 mol 270 unq 0 iso 0 dist 9.16073 6.79822 6.73396 9.04189 10.7047 4.4142 numMergedOcc 0
79 mol 270 unq 0 iso 1 dist 6.79822 9.16073 6.73396 9.04189 4.4142 10.7047 numMergedOcc 0
80 mol 270 unq 1 iso 0 dist 9.16073 8.39167 7.61559 9.85255 4.69954 9.04454 numMergedOcc 0
81 mol 270 unq 1 iso 1 dist 8.39167 9.16073 7.61559 9.85255 9.04454 4.69954 numMergedOcc 0
82 mol 270 unq 2 iso 0 dist 8.39167 9.17227 6.73396 9.51462 7.66392 3.98629 numMergedOcc 0
83 mol 270 unq 2 iso 1 dist 9.17227 8.39167 6.73396 9.51462 3.98629 7.66392 numMergedOcc 0
84 mol 270 unq 3 iso 0 dist 8.39167 9.17227 6.73396 8.12971 4.66212 8.41656 numMergedOcc 0
85 mol 270 unq 3 iso 1 dist 9.17227 8.39167 6.73396 8.12971 8.41656 4.66212 numMergedOcc 0
