0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 6.44928 6.09918 5.92202 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 5.65716 6.44928 6.09918 4.36042 8.26708 5.92202 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 4.17261 6.26071 5.94592 numMergedOcc 0
3 mol 13 unq 0 iso 1 dist 5.04036 4.17261 6.26071 5.6314 5.78148 5.94592 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 5.04036 5.6314 5.78148 6.68749 8.43325 10.8906 numMergedOcc 0
5 mol 13 unq 1 iso 1 dist 5.04036 6.68749 8.43325 5.6314 5.78148 10.8906 numMergedOcc 0
6 mol 13 unq 1 iso 0 dist 5.04036 4.17261 6.26071 6.68749 8.43325 5.43688 numMergedOcc 0
7 mol 13 unq 1 iso 1 dist 5.04036 6.68749 8.43325 4.17261 6.26071 5.43688 numMergedOcc 0
8 mol 13 unq 2 iso 0 dist 9.44958 11.3605 5.78148 13.8587 6.26071 5.94592 numMergedOcc 0
9 mol 13 unq 2 iso 1 dist 9.44958 13.8587 6.26071 11.3605 5.78148 5.94592 numMergedOcc 0
10 mol 13 unq 3 iso 0 dist 9.44958 11.3605 5.78148 16.4369 8.43325 10.8906 numMergedOcc 0
11 mol 13 unq 3 iso 1 dist 9.44958 16.4369 8.43325 11.3605 5.78148 10.8906 numMergedOcc 0
12 mol 13 unq 3 iso 0 dist 9.44958 13.8587 6.26071 16.4369 8.43325 5.43688 numMergedOcc 0
13 mol 13 unq 3 iso 1 dist 9.44958 16.4369 8.43325 13.8587 6.26071 5.43688 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 8.70141 13.2653 4.93188 5.80023 9.24958 12.3067 numMergedOcc 0
15 mol 24 unq 0 iso 1 dist 8.70141 5.80023 9.24958 13.2653 4.93188 12.3067 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 5.97432 6.17631 5.81959 5.59268 6.90155 10.6808 numMergedOcc 0
17 mol 25 unq 0 iso 1 dist 5.97432 5.59268 6.90155 6.17631 5.81959 10.6808 numMergedOcc 0
18 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 8.18809 8.6385 9.78225 numMergedOcc 0
19 mol 26 unq 0 iso 1 dist 6.73259 8.18809 8.6385 4.09495 5.69955 9.78225 numMergedOcc 0
20 mol 26 unq 1 iso 0 dist 8.60352 8.26353 5.69955 7.06347 8.6385 9.78225 numMergedOcc 0
21 mol 26 unq 1 iso 1 dist 8.60352 7.06347 8.6385 8.26353 5.69955 9.78225 numMergedOcc 0
22 mol 45 unq 0 iso 0 dist 6.15568 4.18584 6.06454 9.0702 9.44459 5.24762 numMergedOcc 0
23 mol 45 unq 0 iso 1 dist 6.15568 9.0702 9.44459 4.18584 6.06454 5.24762 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 15.232 9.12858 6.30447 numMergedOcc 0
25 mol 93 unq 0 iso 1 dist 8.42713 15.232 9.12858 17.674 9.81831 6.30447 numMergedOcc 0
26 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 12.5871 9.4523 9.91939 numMergedOcc 0
27 mol 93 unq 1 iso 1 dist 8.42713 12.5871 9.4523 17.674 9.81831 9.91939 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 8.42713 15.232 9.12858 12.5871 9.4523 7.66728 numMergedOcc 0
29 mol 93 unq 1 iso 1 dist 8.42713 12.5871 9.4523 15.232 9.12858 7.66728 numMergedOcc 0
30 mol 93 unq 2 iso 0 dist 8.21032 6.25741 9.81831 10.0172 9.12858 6.30447 numMergedOcc 0
31 mol 93 unq 2 iso 1 dist 8.21032 10.0172 9.12858 6.25741 9.81831 6.30447 numMergedOcc 0
32 mol 93 unq 3 iso 0 dist 8.21032 6.25741 9.81831 13.6269 9.4523 9.91939 numMergedOcc 0
33 mol 93 unq 3 iso 1 dist 8.21032 13.6269 9.4523 6.25741 9.81831 9.91939 numMergedOcc 0
34 mol 93 unq 3 iso 0 dist 8.21032 10.0172 9.12858 13.6269 9.4523 7.66728 numMergedOcc 0
35 mol 93 unq 3 iso 1 dist 8.21032 13.6269 9.4523 10.0172 9.12858 7.66728 numMergedOcc 0
36 mol 112 unq 0 iso 0 dist 7.98999 6.68714 7.23962 10.8795 9.00067 7.03147 numMergedOcc 0
37 mol 112 unq 0 iso 1 dist 7.98999 10.8795 9.00067 6.68714 7.23962 7.03147 numMergedOcc 0
38 mol 112 unq 1 iso 0 dist 7.98999 6.68714 7.23962 13.2606 9.89499 11.4954 numMergedOcc 0
39 mol 112 unq 1 iso 1 dist 7.98999 13.2606 9.89499 6.68714 7.23962 11.4954 numMergedOcc 0
40 mol 112 unq 2 iso 0 dist 7.98999 6.68714 7.23962 6.71889 7.30204 7.05226 numMergedOcc 0
41 mol 112 unq 2 iso 1 dist 7.98999 6.71889 7.30204 6.68714 7.23962 7.05226 numMergedOcc 0
42 mol 112 unq 1 iso 0 dist 7.98999 10.8795 9.00067 13.2606 9.89499 5.54347 numMergedOcc 0
43 mol 112 unq 1 iso 1 dist 7.98999 13.2606 9.89499 10.8795 9.00067 5.54347 numMergedOcc 0
44 mol 112 unq 2 iso 0 dist 7.98999 10.8795 9.00067 6.71889 7.30204 5.56241 numMergedOcc 0
45 mol 112 unq 2 iso 1 dist 7.98999 6.71889 7.30204 10.8795 9.00067 5.56241 numMergedOcc 0
46 mol 112 unq 2 iso 0 dist 7.98999 13.2606 9.89499 6.71889 7.30204 6.77737 numMergedOcc 0
47 mol 112 unq 2 iso 1 dist 7.98999 6.71889 7.30204 13.2606 9.89499 6.77737 numMergedOcc 0
48 mol 131 unq 0 iso 0 dist 5.33314 11.1522 8.86329 11.4573 8.71039 5.55373 numMergedOcc 0
49 mol 131 unq 0 iso 1 dist 5.33314 11.4573 8.71039 11.1522 8.86329 5.55373 numMergedOcc 0
50 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 10.5583 6.28351 7.15222 numMergedOcc 0
51 mol 147 unq 0 iso 1 dist 6.4752 10.5583 6.28351 8.95179 5.49226 7.15222 numMergedOcc 0
52 mol 148 unq 0 iso 0 dist 5.06687 5.59872 9.02318 9.27313 9.74542 6.83844 numMergedOcc 0
53 mol 148 unq 0 iso 1 dist 5.06687 9.27313 9.74542 5.59872 9.02318 6.83844 numMergedOcc 0
54 mol 148 unq 1 iso 0 dist 5.06687 5.59872 9.02318 8.61198 7.97543 7.26616 numMergedOcc 0
55 mol 148 unq 1 iso 1 dist 5.06687 8.61198 7.97543 5.59872 9.02318 7.26616 numMergedOcc 0
56 mol 148 unq 1 iso 0 dist 5.06687 9.27313 9.74542 8.61198 7.97543 8.72919 numMergedOcc 0
57 mol 148 unq 1 iso 1 dist 5.06687 8.61198 7.97543 9.27313 9.74542 8.72919 numMergedOcc 0
58 mol 150 unq 0 iso 0 dist 5.09809 9.25213 9.6606 8.68422 7.85526 8.77324 numMergedOcc 0
59 mol 150 unq 0 iso 1 dist 5.09809 8.68422 7.85526 9.25213 9.6606 8.77324 numMergedOcc 0
60 mol 150 unq 1 iso 0 dist 5.09809 9.25213 9.6606 5.56996 8.94552 6.98865 numMergedOcc 0
61 mol 150 unq 1 iso 1 dist 5.09809 5.56996 8.94552 9.25213 9.6606 6.98865 numMergedOcc 0
62 mol 150 unq 1 iso 0 dist 5.09809 8.68422 7.85526 5.56996 8.94552 7.24908 numMergedOcc 0
63 mol 150 unq 1 iso 1 dist 5.09809 5.56996 8.94552 8.68422 7.85526 7.24908 numMergedOcc 0
64 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.36943 8.12346 8.0179 numMergedOcc 0
65 mol 194 unq 0 iso 1 dist 7.47107 9.36943 8.12346 10.2633 6.26839 8.0179 numMergedOcc 0
66 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 7.72655 8.83356 14.6506 numMergedOcc 0
67 mol 194 unq 1 iso 1 dist 7.47107 7.72655 8.83356 10.2633 6.26839 14.6506 numMergedOcc 0
68 mol 194 unq 2 iso 0 dist 7.47107 10.2633 6.26839 4.57265 8.2654 8.48054 numMergedOcc 0
69 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 10.2633 6.26839 8.48054 numMergedOcc 0
70 mol 194 unq 1 iso 0 dist 7.47107 9.36943 8.12346 7.72655 8.83356 13.5632 numMergedOcc 0
71 mol 194 unq 1 iso 1 dist 7.47107 7.72655 8.83356 9.36943 8.12346 13.5632 numMergedOcc 0
72 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 4.57265 8.2654 6.26298 numMergedOcc 0
73 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 9.36943 8.12346 6.26298 numMergedOcc 0
74 mol 194 unq 2 iso 0 dist 7.47107 7.72655 8.83356 4.57265 8.2654 11.6097 numMergedOcc 0
75 mol 194 unq 2 iso 1 dist 7.47107 4.57265 8.2654 7.72655 8.83356 11.6097 numMergedOcc 0
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77 mol 218 unq 0 iso 1 dist 9.6309 10.8948 6.29511 9.24732 8.86175 4.72474 numMergedOcc 0
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79 mol 227 unq 0 iso 1 dist 8.12518 7.2593 5.4694 12.3465 8.38865 5.22356 numMergedOcc 0
80 mol 235 unq 0 iso 0 dist 9.77502 13.1002 6.39158 6.64857 7.75722 12.1984 numMergedOcc 0
81 mol 235 unq 0 iso 1 dist 9.77502 6.64857 7.75722 13.1002 6.39158 12.1984 numMergedOcc 0
82 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 13.1893 8.44909 4.28414 numMergedOcc 0
83 mol 240 unq 0 iso 1 dist 8.44671 13.1893 8.44909 15.9853 9.47583 4.28414 numMergedOcc 0
84 mol 252 unq 0 iso 0 dist 9.81593 8.32163 8.47784 10.6815 8.66469 13.2361 numMergedOcc 0
85 mol 252 unq 0 iso 1 dist 9.81593 10.6815 8.66469 8.32163 8.47784 13.2361 numMergedOcc 0
86 mol 252 unq 1 iso 0 dist 9.78248 16.5062 8.47784 9.67333 8.66469 13.2361 numMergedOcc 0
87 mol 252 unq 1 iso 1 dist 9.78248 9.67333 8.66469 16.5062 8.47784 13.2361 numMergedOcc 0
88 mol 258 unq 0 iso 0 dist 8.78354 11.5659 6.70815 11.716 7.99477 7.26417 numMergedOcc 0
89 mol 258 unq 0 iso 1 dist 8.78354 11.716 7.99477 11.5659 6.70815 7.26417 numMergedOcc 0
90 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 13.8765 6.14323 4.92077 numMergedOcc 0
91 mol 264 unq 0 iso 1 dist 8.28871 13.8765 6.14323 11.5671 6.04162 4.92077 numMergedOcc 0
92 mol 264 unq 1 iso 0 dist 7.94668 5.21164 6.04162 6.12009 6.14323 4.92077 numMergedOcc 0
93 mol 264 unq 1 iso 1 dist 7.94668 6.12009 6.14323 5.21164 6.04162 4.92077 numMergedOcc 0
94 mol 272 unq 0 iso 0 dist 8.36282 9.49608 9.64269 5.87695 6.88809 6.6954 numMergedOcc 0
95 mol 272 unq 0 iso 1 dist 8.36282 5.87695 6.88809 9.49608 9.64269 6.6954 numMergedOcc 0
96 mol 272 unq 1 iso 0 dist 8.36282 9.49608 9.64269 12.8166 8.46061 8.12676 numMergedOcc 0
97 mol 272 unq 1 iso 1 dist 8.36282 12.8166 8.46061 9.49608 9.64269 8.12676 numMergedOcc 0
98 mol 272 unq 1 iso 0 dist 8.36282 5.87695 6.88809 12.8166 8.46061 7.34222 numMergedOcc 0
99 mol 272 unq 1 iso 1 dist 8.36282 12.8166 8.46061 5.87695 6.88809 7.34222 numMergedOcc 0
100 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 8.33297 6.43341 6.67478 numMergedOcc 0
101 mol 279 unq 0 iso 1 dist 5.63154 8.33297 6.43341 5.15837 8.29305 6.67478 numMergedOcc 0
