0 mol 10 unq 0 iso 0 dist 5.59965 6.18431 3.92592 4.99208 9.43029 9.39486 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 5.59965 9.43029 4.99208 3.92592 6.18431 9.39486 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 5.59965 9.07726 5.53712 4.99208 9.43029 13.8872 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 5.59965 9.43029 4.99208 5.53712 9.07726 13.8872 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.95834 9.85784 11.6859 12.5545 9.73647 20.8968 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 5.95834 9.73647 12.5545 11.6859 9.85784 20.8968 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 5.95834 9.85784 11.6859 4.08755 7.26334 13.849 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 5.95834 7.26334 4.08755 11.6859 9.85784 13.849 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 5.95834 9.85784 11.6859 6.86136 5.78532 11.8224 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 5.95834 5.78532 6.86136 11.6859 9.85784 11.8224 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 5.95834 9.87996 9.80106 12.5545 9.73647 19.0112 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 5.95834 9.73647 12.5545 9.80106 9.87996 19.0112 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 5.95834 9.87996 9.80106 4.08755 7.26334 13.815 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 5.95834 7.26334 4.08755 9.80106 9.87996 13.815 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 5.95834 9.87996 9.80106 6.86136 5.78532 11.3023 numMergedOcc 0
15 mol 24 unq 5 iso 1 dist 5.95834 5.78532 6.86136 9.80106 9.87996 11.3023 numMergedOcc 0
16 mol 24 unq 6 iso 0 dist 4.2121 9.85784 11.076 4.08755 6.19899 13.849 numMergedOcc 0
17 mol 24 unq 6 iso 1 dist 4.2121 6.19899 4.08755 11.076 9.85784 13.849 numMergedOcc 0
18 mol 24 unq 7 iso 0 dist 4.2121 9.85784 11.076 6.86136 8.49709 11.8224 numMergedOcc 0
19 mol 24 unq 7 iso 1 dist 4.2121 8.49709 6.86136 11.076 9.85784 11.8224 numMergedOcc 0
20 mol 24 unq 8 iso 0 dist 4.2121 9.87996 9.68535 4.08755 6.19899 13.815 numMergedOcc 0
21 mol 24 unq 8 iso 1 dist 4.2121 6.19899 4.08755 9.68535 9.87996 13.815 numMergedOcc 0
22 mol 24 unq 9 iso 0 dist 4.2121 9.87996 9.68535 6.86136 8.49709 11.3023 numMergedOcc 0
23 mol 24 unq 9 iso 1 dist 4.2121 8.49709 6.86136 9.68535 9.87996 11.3023 numMergedOcc 0
24 mol 24 unq 10 iso 0 dist 6.72323 9.85784 14.6305 4.08755 6.61696 13.849 numMergedOcc 0
25 mol 24 unq 10 iso 1 dist 6.72323 6.61696 4.08755 14.6305 9.85784 13.849 numMergedOcc 0
26 mol 24 unq 11 iso 0 dist 6.72323 9.85784 14.6305 10.0453 5.80953 15.2886 numMergedOcc 0
27 mol 24 unq 11 iso 1 dist 6.72323 5.80953 10.0453 14.6305 9.85784 15.2886 numMergedOcc 0
28 mol 24 unq 12 iso 0 dist 6.72323 9.87996 14.3224 4.08755 6.61696 13.815 numMergedOcc 0
29 mol 24 unq 12 iso 1 dist 6.72323 6.61696 4.08755 14.3224 9.87996 13.815 numMergedOcc 0
30 mol 24 unq 13 iso 0 dist 6.72323 9.87996 14.3224 10.0453 5.80953 16.0754 numMergedOcc 0
31 mol 24 unq 13 iso 1 dist 6.72323 5.80953 10.0453 14.3224 9.87996 16.0754 numMergedOcc 0
32 mol 25 unq 0 iso 0 dist 6.25843 9.16515 4.98822 3.904 5.20109 8.07318 numMergedOcc 0
33 mol 25 unq 0 iso 1 dist 6.25843 5.20109 3.904 4.98822 9.16515 8.07318 numMergedOcc 0
34 mol 25 unq 1 iso 0 dist 6.25843 9.82987 7.91914 3.904 5.20109 10.9998 numMergedOcc 0
35 mol 25 unq 1 iso 1 dist 6.25843 5.20109 3.904 7.91914 9.82987 10.9998 numMergedOcc 0
36 mol 25 unq 2 iso 0 dist 6.25843 9.40732 10.9145 3.904 5.20109 12.7065 numMergedOcc 0
37 mol 25 unq 2 iso 1 dist 6.25843 5.20109 3.904 10.9145 9.40732 12.7065 numMergedOcc 0
38 mol 25 unq 3 iso 0 dist 6.25843 6.53269 9.62058 3.904 5.20109 10.156 numMergedOcc 0
39 mol 25 unq 3 iso 1 dist 6.25843 5.20109 3.904 9.62058 6.53269 10.156 numMergedOcc 0
40 mol 26 unq 0 iso 0 dist 7.35861 9.36924 6.88067 6.64374 9.96912 13.8864 numMergedOcc 0
41 mol 26 unq 0 iso 1 dist 7.35861 9.96912 6.64374 6.88067 9.36924 13.8864 numMergedOcc 0
42 mol 26 unq 1 iso 0 dist 6.56527 6.7142 10.0347 4.76998 6.81793 10.2011 numMergedOcc 0
43 mol 26 unq 1 iso 1 dist 6.56527 6.81793 4.76998 10.0347 6.7142 10.2011 numMergedOcc 0
44 mol 30 unq 0 iso 0 dist 7.14464 5.22979 9.01474 5.0755 6.00377 9.88594 numMergedOcc 0
45 mol 30 unq 0 iso 1 dist 7.14464 6.00377 5.0755 9.01474 5.22979 9.88594 numMergedOcc 0
46 mol 30 unq 1 iso 0 dist 7.14464 5.22979 9.01474 5.39349 9.35623 10.4855 numMergedOcc 0
47 mol 30 unq 1 iso 1 dist 7.14464 9.35623 5.39349 9.01474 5.22979 10.4855 numMergedOcc 0
48 mol 30 unq 2 iso 0 dist 7.14464 5.22979 9.01474 4.02746 9.4577 7.27243 numMergedOcc 0
49 mol 30 unq 2 iso 1 dist 7.14464 9.4577 4.02746 9.01474 5.22979 7.27243 numMergedOcc 0
50 mol 79 unq 0 iso 0 dist 9.78384 9.77084 3.99035 9.51372 7.43127 8.64934 numMergedOcc 0
51 mol 79 unq 0 iso 1 dist 9.78384 7.43127 9.51372 3.99035 9.77084 8.64934 numMergedOcc 0
52 mol 79 unq 1 iso 0 dist 9.78384 6.5551 4.53016 9.51372 7.43127 8.7515 numMergedOcc 0
53 mol 79 unq 1 iso 1 dist 9.78384 7.43127 9.51372 4.53016 6.5551 8.7515 numMergedOcc 0
54 mol 79 unq 2 iso 0 dist 8.87742 9.77084 12.2375 6.06691 8.02443 15.0792 numMergedOcc 0
55 mol 79 unq 2 iso 1 dist 8.87742 8.02443 6.06691 12.2375 9.77084 15.0792 numMergedOcc 0
56 mol 79 unq 3 iso 0 dist 8.87742 6.5551 13.1414 6.06691 8.02443 12.4602 numMergedOcc 0
57 mol 79 unq 3 iso 1 dist 8.87742 8.02443 6.06691 13.1414 6.5551 12.4602 numMergedOcc 0
58 mol 79 unq 4 iso 0 dist 4.93468 9.77084 6.69352 6.06691 9.09458 15.0792 numMergedOcc 0
59 mol 79 unq 4 iso 1 dist 4.93468 9.09458 6.06691 6.69352 9.77084 15.0792 numMergedOcc 0
60 mol 79 unq 5 iso 0 dist 4.93468 6.5551 6.0749 6.06691 9.09458 12.4602 numMergedOcc 0
61 mol 79 unq 5 iso 1 dist 4.93468 9.09458 6.06691 6.0749 6.5551 12.4602 numMergedOcc 0
62 mol 112 unq 0 iso 0 dist 7.80873 8.72725 8.72143 10.4943 9.26353 11.6819 numMergedOcc 0
63 mol 112 unq 0 iso 1 dist 7.80873 9.26353 10.4943 8.72143 8.72725 11.6819 numMergedOcc 0
64 mol 112 unq 1 iso 0 dist 7.80873 6.11407 5.08111 10.4943 9.26353 7.31064 numMergedOcc 0
65 mol 112 unq 1 iso 1 dist 7.80873 9.26353 10.4943 5.08111 6.11407 7.31064 numMergedOcc 0
66 mol 141 unq 0 iso 0 dist 6.83404 5.92302 10.0208 3.98068 6.65731 7.92216 numMergedOcc 0
67 mol 141 unq 0 iso 1 dist 6.83404 6.65731 3.98068 10.0208 5.92302 7.92216 numMergedOcc 0
68 mol 171 unq 0 iso 0 dist 5.25109 7.47964 11.4851 10.0655 9.34834 16.0047 numMergedOcc 0
69 mol 171 unq 0 iso 1 dist 5.25109 9.34834 10.0655 11.4851 7.47964 16.0047 numMergedOcc 0
70 mol 171 unq 1 iso 0 dist 5.25109 7.47964 11.4851 4.88147 5.74846 9.80507 numMergedOcc 0
71 mol 171 unq 1 iso 1 dist 5.25109 5.74846 4.88147 11.4851 7.47964 9.80507 numMergedOcc 0
72 mol 184 unq 0 iso 0 dist 7.54099 7.58375 4.67256 7.81466 7.81263 4.61596 numMergedOcc 0
73 mol 184 unq 0 iso 1 dist 7.54099 7.81263 7.81466 4.67256 7.58375 4.61596 numMergedOcc 0
74 mol 225 unq 0 iso 0 dist 8.37739 9.82043 5.8463 3.94409 6.94762 9.3502 numMergedOcc 0
75 mol 225 unq 0 iso 1 dist 8.37739 6.94762 3.94409 5.8463 9.82043 9.3502 numMergedOcc 0
76 mol 225 unq 1 iso 0 dist 8.37739 9.82043 5.8463 8.31193 9.89167 9.34821 numMergedOcc 0
77 mol 225 unq 1 iso 1 dist 8.37739 9.89167 8.31193 5.8463 9.82043 9.34821 numMergedOcc 0
78 mol 225 unq 2 iso 0 dist 9.47237 8.22922 5.8463 6.88465 6.94762 9.3502 numMergedOcc 0
79 mol 225 unq 2 iso 1 dist 9.47237 6.94762 6.88465 5.8463 8.22922 9.3502 numMergedOcc 0
80 mol 225 unq 3 iso 0 dist 9.47237 8.22922 5.8463 6.8122 9.89167 9.34821 numMergedOcc 0
81 mol 225 unq 3 iso 1 dist 9.47237 9.89167 6.8122 5.8463 8.22922 9.34821 numMergedOcc 0
82 mol 232 unq 0 iso 0 dist 9.8664 9.9183 11.2243 4.68548 6.59036 11.1014 numMergedOcc 0
83 mol 232 unq 0 iso 1 dist 9.8664 6.59036 4.68548 11.2243 9.9183 11.1014 numMergedOcc 0
