0 mol 25 unq 0 iso 0 dist 9.48085 4.79873 12.7147 10.9391 9.49421 12.3944 12.1492 8.53931 15.056 4.70708 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.49421 7.52933 16.0628 10.9391 9.48085 16.4232 4.70708 8.53931 11.598 12.1492 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 9.49421 6.55597 12.1732 10.9391 9.48085 11.037 4.70708 8.53931 11.1095 12.1492 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 9.49421 9.71956 8.99147 10.9391 9.48085 14.581 4.70708 8.53931 11.6083 12.1492 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 9.49421 7.07751 9.54872 10.9391 9.48085 13.0315 4.70708 8.53931 10.1706 12.1492 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 9.49421 8.23761 14.6175 10.9391 9.48085 17.2964 4.70708 8.53931 11.6932 12.1492 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 7.04035 9.74228 10.7906 6.11922 9.14817 9.76686 6.00418 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 6.21799 5.03251 3.43675 8.24309 7.12321 9.35457 6.11922 9.14817 9.76686 9.0131 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 6.21799 7.66093 5.75711 7.04035 9.74228 12.952 6.11922 9.14817 9.437 6.00418 numMergedOcc 0
9 mol 72 unq 3 iso 0 dist 6.21799 7.66093 5.75711 8.24309 7.12321 12.1131 6.11922 9.14817 9.437 9.0131 numMergedOcc 0
10 mol 72 unq 4 iso 0 dist 5.03251 6.21799 3.43675 5.8486 9.56773 10.9808 6.11922 9.76686 9.14817 9.93049 numMergedOcc 0
11 mol 72 unq 5 iso 0 dist 5.03251 7.66093 5.26077 5.8486 9.56773 13.336 6.11922 9.76686 9.437 9.93049 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 6.85523 5.77326 8.2592 7.19663 8.65848 12.35 4.92509 5.47706 8.07568 5.22036 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 8.65848 7.25801 7.95975 7.19663 6.85523 11.5776 5.22036 5.47706 8.89842 4.92509 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.92242 7.02507 9.6331 9.51923 5.10496 9.89095 9.74284 6.61111 14.6927 8.70415 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 5.92242 7.02507 9.6331 9.42358 5.2571 12.7417 9.74284 6.61111 14.6927 10.0962 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.92242 7.02507 9.6331 13.9786 8.7497 17.1287 9.74284 6.61111 14.6927 11.2452 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 7.54889 5.2571 6.70343 13.659 9.64383 14.0897 10.0962 4.44979 6.61111 12.0058 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 7.54889 5.2571 6.70343 5.02887 7.78931 8.7497 10.0962 4.44979 6.61111 11.2452 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 5.2571 7.54889 6.70343 8.40073 5.10496 9.81956 10.0962 6.61111 4.44979 8.70415 numMergedOcc 0
20 mol 98 unq 6 iso 0 dist 5.2571 7.54889 6.70343 9.42358 5.92242 10.8223 10.0962 6.61111 4.44979 9.74284 numMergedOcc 0
21 mol 98 unq 7 iso 0 dist 5.2571 7.54889 6.70343 5.02887 8.7497 7.78931 10.0962 6.61111 4.44979 11.2452 numMergedOcc 0
22 mol 98 unq 8 iso 0 dist 7.78931 8.7497 6.70343 14.591 9.64383 14.0897 11.2452 4.44979 6.61111 12.0058 numMergedOcc 0
23 mol 98 unq 9 iso 0 dist 7.78931 8.7497 6.70343 5.02887 7.54889 5.2571 11.2452 4.44979 6.61111 10.0962 numMergedOcc 0
24 mol 98 unq 10 iso 0 dist 8.7497 7.78931 6.70343 10.2427 5.10496 9.81956 11.2452 6.61111 4.44979 8.70415 numMergedOcc 0
25 mol 98 unq 11 iso 0 dist 8.7497 7.78931 6.70343 13.9786 5.92242 10.8223 11.2452 6.61111 4.44979 9.74284 numMergedOcc 0
26 mol 98 unq 12 iso 0 dist 8.7497 7.78931 6.70343 5.02887 5.2571 7.54889 11.2452 6.61111 4.44979 10.0962 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 9.42082 7.69765 11.044 7.69052 6.39384 13.4105 10.9739 8.0168 10.1174 10.7942 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 9.10524 6.42772 7.62195 14.069 9.00918 11.8779 14.0644 5.73203 11.8267 5.9915 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 6.42772 9.10524 7.62195 11.6064 9.1998 12.1179 5.31077 6.44575 10.3419 6.74887 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 6.42772 9.10524 7.62195 13.7309 8.70621 9.69086 5.31077 6.44575 10.3419 10.9715 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 9.1998 8.69531 5.83782 11.6064 6.42772 9.70973 6.74887 6.44575 7.43401 5.31077 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 9.1998 8.69531 5.83782 7.09823 8.70621 10.3432 6.74887 6.44575 7.43401 10.9715 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 8.69531 9.1998 5.83782 6.81259 9.33094 11.0808 6.74887 7.43401 6.44575 5.3585 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 5.35237 8.70621 6.05407 6.90348 7.99477 11.8779 8.96357 6.57379 11.8267 5.9915 numMergedOcc 0
35 mol 134 unq 7 iso 0 dist 8.70621 5.35237 6.05407 13.7309 6.42772 10.6728 10.9715 6.44575 10.0977 5.31077 numMergedOcc 0
36 mol 134 unq 8 iso 0 dist 8.70621 5.35237 6.05407 7.09823 9.1998 9.71716 10.9715 6.44575 10.0977 6.74887 numMergedOcc 0
37 mol 134 unq 9 iso 0 dist 9.00918 7.99477 4.87973 14.069 9.10524 10.6728 5.9915 5.73203 6.57379 14.0644 numMergedOcc 0
38 mol 134 unq 10 iso 0 dist 7.99477 9.00918 4.87973 6.90348 5.35237 9.69086 5.9915 6.57379 5.73203 8.96357 numMergedOcc 0
39 mol 167 unq 0 iso 0 dist 6.84752 7.68266 3.55199 6.44246 7.86563 7.6616 7.69326 7.30954 10.5288 9.46955 numMergedOcc 0
40 mol 167 unq 1 iso 0 dist 6.84752 7.68266 3.55199 4.70068 7.02548 9.2289 7.69326 7.30954 10.5288 6.36909 numMergedOcc 0
41 mol 167 unq 2 iso 0 dist 7.86563 7.6616 3.55199 6.44246 6.84752 7.68266 9.46955 7.30954 10.5288 7.69326 numMergedOcc 0
42 mol 167 unq 3 iso 0 dist 7.86563 7.6616 3.55199 10.3445 7.02548 9.2289 9.46955 7.30954 10.5288 6.36909 numMergedOcc 0
43 mol 167 unq 4 iso 0 dist 7.02548 7.20495 6.81449 4.70068 6.84752 10.5499 6.36909 7.30954 9.1326 7.69326 numMergedOcc 0
44 mol 167 unq 5 iso 0 dist 7.02548 7.20495 6.81449 10.3445 7.86563 14.1851 6.36909 7.30954 9.1326 9.46955 numMergedOcc 0
45 mol 167 unq 6 iso 0 dist 7.02548 9.2289 3.55199 4.70068 6.84752 7.68266 6.36909 7.30954 10.5288 7.69326 numMergedOcc 0
46 mol 167 unq 7 iso 0 dist 7.02548 9.2289 3.55199 10.3445 7.86563 7.6616 6.36909 7.30954 10.5288 9.46955 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 9.01624 6.64173 11.196 11.5866 5.05973 15.3823 6.7991 6.76746 9.09234 8.35755 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 11.5866 5.05973 8.40951 6.7991 6.76746 8.92098 8.35755 numMergedOcc 0
49 mol 197 unq 0 iso 0 dist 9.10817 9.73548 16.8666 5.43601 6.86828 15.043 5.2908 9.27218 11.3514 6.23998 numMergedOcc 0
50 mol 225 unq 0 iso 0 dist 6.50998 9.09424 8.05944 13.3965 8.1945 14.7849 8.69249 8.91356 11.0655 10.7506 numMergedOcc 0
51 mol 225 unq 1 iso 0 dist 6.50998 9.09424 8.05944 13.3965 8.1945 14.7849 14.2819 9.59574 17.3056 7.12954 numMergedOcc 0
52 mol 225 unq 2 iso 0 dist 6.50998 8.14831 13.7858 13.3965 8.1945 21.1757 8.69249 8.91356 13.9144 10.7506 numMergedOcc 0
53 mol 225 unq 3 iso 0 dist 6.50998 8.14831 13.7858 13.3965 8.1945 21.1757 14.2819 9.59574 22.2172 7.12954 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 6.99888 9.07475 3.46869 10.1813 9.08509 12.47 5.54325 5.43613 8.82776 5.17471 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 6.99888 9.07475 3.46869 10.1813 9.08509 12.47 10.0613 7.06768 9.82327 5.03393 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 5.85442 6.95511 3.51848 9.98105 6.9899 10.4017 5.79468 6.23661 9.43105 5.31048 numMergedOcc 0
57 mol 259 unq 1 iso 0 dist 6.9899 8.03219 8.0048 9.98105 5.85442 11.7465 5.31048 6.23661 8.84648 5.79468 numMergedOcc 0
58 mol 292 unq 0 iso 0 dist 9.9182 8.9221 9.43063 10.3106 7.30758 14.8054 9.98079 9.08193 14.1762 5.07048 numMergedOcc 0
59 mol 292 unq 1 iso 0 dist 9.9182 8.9221 9.43063 10.3106 7.30758 14.8054 18.0293 8.73515 15.6627 12.1551 numMergedOcc 0
60 mol 292 unq 2 iso 0 dist 9.9182 8.9221 9.43063 12.1693 9.10788 8.85064 9.98079 9.08193 14.1762 10.0311 numMergedOcc 0
61 mol 292 unq 3 iso 0 dist 9.9182 8.9221 9.43063 12.1693 9.10788 8.85064 18.0293 8.73515 15.6627 10.8709 numMergedOcc 0
62 mol 292 unq 4 iso 0 dist 7.30758 9.46442 3.57128 10.3106 9.9182 13.4489 5.07048 9.08193 11.3039 9.98079 numMergedOcc 0
63 mol 292 unq 5 iso 0 dist 7.30758 9.46442 3.57128 10.3106 9.9182 13.4489 12.1551 8.73515 5.84792 18.0293 numMergedOcc 0
64 mol 292 unq 6 iso 0 dist 7.30758 9.46442 3.57128 12.6861 9.10788 9.96037 5.07048 9.08193 11.3039 10.0311 numMergedOcc 0
65 mol 292 unq 7 iso 0 dist 7.30758 9.46442 3.57128 12.6861 9.10788 9.96037 12.1551 8.73515 5.84792 10.8709 numMergedOcc 0
66 mol 292 unq 8 iso 0 dist 7.30758 9.5785 10.0941 10.3106 9.9182 13.7082 5.07048 9.08193 14.4033 9.98079 numMergedOcc 0
67 mol 292 unq 9 iso 0 dist 7.30758 9.5785 10.0941 10.3106 9.9182 13.7082 12.1551 8.73515 15.8988 18.0293 numMergedOcc 0
68 mol 292 unq 10 iso 0 dist 7.30758 9.5785 10.0941 12.6861 9.10788 18.9744 5.07048 9.08193 14.4033 10.0311 numMergedOcc 0
69 mol 292 unq 11 iso 0 dist 7.30758 9.5785 10.0941 12.6861 9.10788 18.9744 12.1551 8.73515 15.8988 10.8709 numMergedOcc 0
70 mol 292 unq 12 iso 0 dist 7.30758 9.76319 13.2166 10.3106 9.9182 18.0254 5.07048 9.08193 14.6227 9.98079 numMergedOcc 0
71 mol 292 unq 13 iso 0 dist 7.30758 9.76319 13.2166 10.3106 9.9182 18.0254 12.1551 8.73515 15.8206 18.0293 numMergedOcc 0
72 mol 292 unq 14 iso 0 dist 7.30758 9.76319 13.2166 12.6861 9.10788 21.1604 5.07048 9.08193 14.6227 10.0311 numMergedOcc 0
73 mol 292 unq 15 iso 0 dist 7.30758 9.76319 13.2166 12.6861 9.10788 21.1604 12.1551 8.73515 15.8206 10.8709 numMergedOcc 0
74 mol 292 unq 16 iso 0 dist 9.10788 8.85064 9.43063 12.1693 9.9182 8.9221 10.0311 9.08193 14.1762 9.98079 numMergedOcc 0
75 mol 292 unq 17 iso 0 dist 9.10788 8.85064 9.43063 12.1693 9.9182 8.9221 10.8709 8.73515 15.6627 18.0293 numMergedOcc 0
76 mol 292 unq 18 iso 0 dist 9.10788 8.85064 9.43063 12.6861 7.30758 14.8054 10.0311 9.08193 14.1762 5.07048 numMergedOcc 0
77 mol 292 unq 19 iso 0 dist 9.10788 8.85064 9.43063 12.6861 7.30758 14.8054 10.8709 8.73515 15.6627 12.1551 numMergedOcc 0
