0 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
1 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
2 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
3 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
4 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
5 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
6 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
7 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
8 mol 89 unq 0 iso 0 dist 7.47974 6.53308 7.04263 9.1532 8.40422 13.0722 4.46337 10.6242 9.86405 8.71979 numMergedOcc 0
9 mol 89 unq 1 iso 0 dist 7.47974 6.53308 7.04263 4.8812 8.40425 10.7697 4.46337 10.6242 9.86405 4.94203 numMergedOcc 0
10 mol 89 unq 2 iso 0 dist 7.47974 6.53308 7.04263 10.4087 5.51831 12.3442 4.46337 10.6242 9.86405 12.5488 numMergedOcc 0
11 mol 89 unq 3 iso 0 dist 7.47974 6.53308 7.04263 10.8948 9.65149 15.1929 4.46337 10.6242 9.86405 12.068 numMergedOcc 0
12 mol 98 unq 0 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
13 mol 98 unq 1 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
14 mol 98 unq 2 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
15 mol 98 unq 3 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
16 mol 98 unq 4 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
17 mol 98 unq 5 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
18 mol 98 unq 6 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
19 mol 98 unq 7 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
20 mol 98 unq 8 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
21 mol 98 unq 9 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
22 mol 134 unq 0 iso 0 dist 9.10524 6.42772 7.62195 14.069 9.00918 11.8779 5.31077 10.3419 6.44575 11.4638 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 6.42772 9.10524 7.62195 11.6064 9.1998 12.1179 14.0644 11.8267 5.73203 12.6989 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 6.42772 9.10524 7.62195 13.7309 8.70621 9.69086 14.0644 11.8267 5.73203 8.96357 numMergedOcc 0
25 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
26 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
27 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
28 mol 134 unq 6 iso 0 dist 5.35237 8.70621 6.05407 6.90348 7.99477 11.8779 10.9715 10.0977 6.44575 11.4638 numMergedOcc 0
29 mol 134 unq 7 iso 0 dist 8.70621 5.35237 6.05407 13.7309 6.42772 10.6728 8.96357 11.8267 6.57379 14.0644 numMergedOcc 0
30 mol 134 unq 8 iso 0 dist 8.70621 5.35237 6.05407 7.09823 9.1998 9.71716 8.96357 11.8267 6.57379 12.6989 numMergedOcc 0
31 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
32 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
33 mol 167 unq 0 iso 0 dist 7.68266 6.84752 3.55199 6.44246 7.6616 7.86563 7.69326 10.5288 7.30954 9.46955 numMergedOcc 0
34 mol 167 unq 1 iso 0 dist 7.68266 6.84752 3.55199 4.70068 9.2289 7.02548 7.69326 10.5288 7.30954 6.36909 numMergedOcc 0
35 mol 167 unq 2 iso 0 dist 7.6616 7.86563 3.55199 6.44246 7.68266 6.84752 9.46955 10.5288 7.30954 7.69326 numMergedOcc 0
36 mol 167 unq 3 iso 0 dist 7.6616 7.86563 3.55199 10.3445 9.2289 7.02548 9.46955 10.5288 7.30954 6.36909 numMergedOcc 0
37 mol 167 unq 4 iso 0 dist 9.2289 7.20495 9.25262 4.70068 7.68266 10.5499 6.36909 10.5288 9.1326 7.69326 numMergedOcc 0
38 mol 167 unq 5 iso 0 dist 9.2289 7.20495 9.25262 10.3445 7.6616 14.1851 6.36909 10.5288 9.1326 9.46955 numMergedOcc 0
39 mol 167 unq 6 iso 0 dist 9.2289 7.02548 3.55199 4.70068 7.68266 6.84752 6.36909 10.5288 7.30954 7.69326 numMergedOcc 0
40 mol 167 unq 7 iso 0 dist 9.2289 7.02548 3.55199 10.3445 7.6616 7.86563 6.36909 10.5288 7.30954 9.46955 numMergedOcc 0
41 mol 167 unq 8 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
42 mol 167 unq 9 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
43 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
44 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
45 mol 238 unq 0 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
46 mol 259 unq 0 iso 0 dist 6.95511 5.85442 3.51848 6.96053 9.46361 10.3406 5.79468 9.43105 6.23661 11.6195 numMergedOcc 0
47 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
48 mol 292 unq 0 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
49 mol 292 unq 1 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
50 mol 292 unq 2 iso 0 dist 8.9221 9.9182 9.43063 12.1693 8.85064 9.10788 9.98079 14.1762 9.08193 10.0311 numMergedOcc 0
51 mol 292 unq 3 iso 0 dist 8.9221 9.9182 9.43063 12.1693 8.85064 9.10788 18.0293 15.6627 8.73515 10.8709 numMergedOcc 0
52 mol 292 unq 4 iso 0 dist 8.85064 9.10788 9.43063 12.1693 8.9221 9.9182 10.0311 14.1762 9.08193 9.98079 numMergedOcc 0
53 mol 292 unq 5 iso 0 dist 8.85064 9.10788 9.43063 12.1693 8.9221 9.9182 10.8709 15.6627 8.73515 18.0293 numMergedOcc 0
