0 mol 9 unq 0 iso 0 dist 5.8245 8.55451 3.58336 8.27962 9.71516 13.2602 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.8245 8.55451 3.58336 11.4878 9.81658 12.6418 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.48085 4.79873 12.7147 12.1492 8.53931 15.056 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.49421 7.52933 16.0628 4.70708 8.53931 11.598 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.49421 6.55597 12.1732 4.70708 8.53931 11.1095 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.49421 9.71956 8.99147 4.70708 8.53931 11.6083 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 9.49421 7.07751 9.54872 4.70708 8.53931 10.1706 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 9.49421 8.23761 14.6175 4.70708 8.53931 11.6932 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 7.18022 6.24711 3.39994 5.32981 7.79336 7.08559 numMergedOcc 0
9 mol 34 unq 1 iso 0 dist 6.24711 7.18022 3.39994 5.32981 7.08559 7.79336 numMergedOcc 0
10 mol 34 unq 2 iso 0 dist 6.24711 7.18022 3.39994 8.90278 8.63635 11.2173 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 6.11922 9.14817 9.76686 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.21799 7.66093 5.75711 6.11922 9.14817 9.437 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 5.03251 6.21799 3.43675 6.11922 9.76686 9.14817 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 5.03251 7.66093 5.26077 6.11922 9.76686 9.437 numMergedOcc 0
15 mol 72 unq 4 iso 0 dist 7.66093 6.21799 5.75711 6.11922 9.437 9.14817 numMergedOcc 0
16 mol 72 unq 5 iso 0 dist 7.66093 5.03251 5.26077 6.11922 9.437 9.76686 numMergedOcc 0
17 mol 72 unq 6 iso 0 dist 9.55118 9.10345 9.20237 7.11552 5.4605 10.8476 numMergedOcc 0
18 mol 72 unq 7 iso 0 dist 9.55118 9.10345 9.20237 12.3903 6.1906 11.5204 numMergedOcc 0
19 mol 72 unq 8 iso 0 dist 9.55118 9.10345 9.20237 7.17489 6.7272 7.64009 numMergedOcc 0
20 mol 72 unq 9 iso 0 dist 9.10345 9.55118 9.20237 7.17489 7.64009 6.7272 numMergedOcc 0
21 mol 78 unq 0 iso 0 dist 6.85523 5.77326 8.2592 4.92509 5.47706 8.07568 numMergedOcc 0
22 mol 78 unq 1 iso 0 dist 8.65848 7.25801 7.95975 5.22036 5.47706 8.89842 numMergedOcc 0
23 mol 78 unq 2 iso 0 dist 7.25801 8.65848 7.95975 5.22036 8.89842 5.47706 numMergedOcc 0
24 mol 78 unq 3 iso 0 dist 5.77326 6.85523 8.2592 4.92509 8.07568 5.47706 numMergedOcc 0
25 mol 89 unq 0 iso 0 dist 6.53308 7.47974 7.04263 4.46337 9.86405 10.6242 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.92242 7.02507 9.6331 9.74284 6.61111 14.6927 numMergedOcc 0
27 mol 98 unq 1 iso 0 dist 7.54889 5.2571 6.70343 10.0962 4.44979 6.61111 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 5.2571 7.54889 6.70343 10.0962 6.61111 4.44979 numMergedOcc 0
29 mol 98 unq 3 iso 0 dist 7.78931 8.7497 6.70343 11.2452 4.44979 6.61111 numMergedOcc 0
30 mol 98 unq 4 iso 0 dist 8.7497 7.78931 6.70343 11.2452 6.61111 4.44979 numMergedOcc 0
31 mol 112 unq 0 iso 0 dist 9.05166 5.56994 5.11 6.35364 8.91262 6.12922 numMergedOcc 0
32 mol 112 unq 1 iso 0 dist 5.56994 9.05166 5.11 6.35364 6.12922 8.91262 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 9.42082 7.69765 11.044 10.9739 8.0168 10.1174 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 9.10524 6.42772 7.62195 14.0644 5.73203 11.8267 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 6.42772 9.10524 7.62195 5.31077 6.44575 10.3419 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 9.1998 8.69531 5.83782 6.74887 6.44575 7.43401 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 8.69531 9.1998 5.83782 6.74887 7.43401 6.44575 numMergedOcc 0
38 mol 134 unq 4 iso 0 dist 5.35237 8.70621 6.05407 8.96357 6.57379 11.8267 numMergedOcc 0
39 mol 134 unq 5 iso 0 dist 8.70621 5.35237 6.05407 10.9715 6.44575 10.0977 numMergedOcc 0
40 mol 134 unq 6 iso 0 dist 9.00918 7.99477 4.87973 5.9915 5.73203 6.57379 numMergedOcc 0
41 mol 134 unq 7 iso 0 dist 7.99477 9.00918 4.87973 5.9915 6.57379 5.73203 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 7.36975 5.40637 10.1474 6.01455 7.05845 10.55 numMergedOcc 0
43 mol 143 unq 1 iso 0 dist 7.36975 5.40637 10.1474 5.44503 8.18023 7.46803 numMergedOcc 0
44 mol 143 unq 2 iso 0 dist 5.40637 7.36975 10.1474 5.44503 7.46803 8.18023 numMergedOcc 0
45 mol 167 unq 0 iso 0 dist 6.84752 7.68266 3.55199 7.69326 7.30954 10.5288 numMergedOcc 0
46 mol 167 unq 1 iso 0 dist 7.86563 7.6616 3.55199 9.46955 7.30954 10.5288 numMergedOcc 0
47 mol 167 unq 2 iso 0 dist 7.20495 9.2289 9.25262 6.36909 9.1326 10.5288 numMergedOcc 0
48 mol 167 unq 3 iso 0 dist 7.20495 7.02548 6.81449 6.36909 9.1326 7.30954 numMergedOcc 0
49 mol 167 unq 4 iso 0 dist 7.02548 7.20495 6.81449 6.36909 7.30954 9.1326 numMergedOcc 0
50 mol 167 unq 5 iso 0 dist 7.02548 9.2289 3.55199 6.36909 7.30954 10.5288 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 6.64173 9.01624 11.196 6.7991 9.09234 6.76746 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 6.64173 9.55105 10.1041 6.7991 9.09234 8.92098 numMergedOcc 0
53 mol 181 unq 2 iso 0 dist 9.01624 6.64173 11.196 6.7991 6.76746 9.09234 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 9.01624 9.55105 3.55187 6.7991 6.76746 8.92098 numMergedOcc 0
55 mol 181 unq 4 iso 0 dist 9.55105 6.64173 10.1041 6.7991 8.92098 9.09234 numMergedOcc 0
56 mol 181 unq 5 iso 0 dist 9.55105 9.01624 3.55187 6.7991 8.92098 6.76746 numMergedOcc 0
57 mol 184 unq 0 iso 0 dist 6.73504 9.90822 9.88527 6.47974 7.59939 10.9394 numMergedOcc 0
58 mol 197 unq 0 iso 0 dist 9.10817 9.73548 16.8666 5.2908 9.27218 11.3514 numMergedOcc 0
59 mol 225 unq 0 iso 0 dist 6.50998 9.09424 8.05944 8.69249 8.91356 11.0655 numMergedOcc 0
60 mol 225 unq 1 iso 0 dist 6.50998 9.09424 8.05944 14.2819 9.59574 17.3056 numMergedOcc 0
61 mol 225 unq 2 iso 0 dist 6.50998 8.14831 13.7858 8.69249 8.91356 13.9144 numMergedOcc 0
62 mol 225 unq 3 iso 0 dist 6.50998 8.14831 13.7858 14.2819 9.59574 22.2172 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 9.07475 6.99888 3.46869 10.0613 9.82327 7.06768 numMergedOcc 0
64 mol 238 unq 1 iso 0 dist 6.99888 9.07475 3.46869 5.54325 5.43613 8.82776 numMergedOcc 0
65 mol 238 unq 2 iso 0 dist 6.99888 9.07475 3.46869 10.0613 7.06768 9.82327 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 5.85442 6.95511 3.51848 5.79468 6.23661 9.43105 numMergedOcc 0
67 mol 259 unq 1 iso 0 dist 8.03219 6.9899 8.0048 5.31048 8.84648 6.23661 numMergedOcc 0
68 mol 259 unq 2 iso 0 dist 6.9899 8.03219 8.0048 5.31048 6.23661 8.84648 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 6.4611 9.30212 13.5848 5.31116 6.66172 12.703 numMergedOcc 0
70 mol 292 unq 0 iso 0 dist 9.46442 7.30758 3.57128 12.1551 5.84792 8.73515 numMergedOcc 0
71 mol 292 unq 1 iso 0 dist 9.46442 9.5785 11.3907 12.1551 5.84792 15.8988 numMergedOcc 0
72 mol 292 unq 2 iso 0 dist 9.46442 9.76319 13.609 12.1551 5.84792 15.8206 numMergedOcc 0
73 mol 292 unq 3 iso 0 dist 9.9182 8.9221 9.43063 9.98079 9.08193 14.1762 numMergedOcc 0
74 mol 292 unq 4 iso 0 dist 9.9182 8.9221 9.43063 18.0293 8.73515 15.6627 numMergedOcc 0
75 mol 292 unq 5 iso 0 dist 7.30758 9.46442 3.57128 5.07048 9.08193 11.3039 numMergedOcc 0
76 mol 292 unq 6 iso 0 dist 7.30758 9.46442 3.57128 12.1551 8.73515 5.84792 numMergedOcc 0
77 mol 292 unq 7 iso 0 dist 7.30758 9.5785 10.0941 5.07048 9.08193 14.4033 numMergedOcc 0
78 mol 292 unq 8 iso 0 dist 7.30758 9.5785 10.0941 12.1551 8.73515 15.8988 numMergedOcc 0
79 mol 292 unq 9 iso 0 dist 7.30758 9.76319 13.2166 5.07048 9.08193 14.6227 numMergedOcc 0
80 mol 292 unq 10 iso 0 dist 7.30758 9.76319 13.2166 12.1551 8.73515 15.8206 numMergedOcc 0
81 mol 292 unq 11 iso 0 dist 9.10788 8.85064 9.43063 10.0311 9.08193 14.1762 numMergedOcc 0
82 mol 292 unq 12 iso 0 dist 9.10788 8.85064 9.43063 10.8709 8.73515 15.6627 numMergedOcc 0
