0 mol 7 unq 0 iso 0 dist 9.68596 9.87885 10.1841 13.2247 12.9581 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 9.67164 5.5683 12.2041 10.3148 5.99459 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.99972 5.99459 6.12483 12.2041 11.2662 9.67164 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.03958 6.56356 4.1204 10.9495 7.18019 9.01112 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.03958 6.56356 4.1204 8.09332 8.44009 7.62333 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.18019 9.01112 4.1204 10.9495 7.03958 6.56356 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 7.18019 9.01112 4.1204 6.23795 8.44009 7.62333 numMergedOcc 0
7 mol 8 unq 4 iso 0 dist 8.44009 7.62333 4.1204 8.09332 7.03958 6.56356 numMergedOcc 0
8 mol 8 unq 5 iso 0 dist 8.44009 7.62333 4.1204 6.23795 7.18019 9.01112 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 6.16347 9.48085 9.62058 10.9391 7.45383 9.49421 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 7.45383 9.49421 9.62058 10.9391 6.16347 9.48085 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 9.01548 9.49421 5.38592 10.9391 13.8469 9.48085 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 7.92503 9.48085 10.2758 10.9391 16.8925 9.49421 numMergedOcc 0
13 mol 30 unq 0 iso 0 dist 7.12365 6.07517 4.98558 5.34368 8.1284 6.74179 numMergedOcc 0
14 mol 30 unq 1 iso 0 dist 8.1284 6.74179 4.98558 5.34368 7.12365 6.07517 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 5.93884 9.22598 5.66912 4.81926 7.68678 8.96727 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 7.68678 8.96727 5.66912 4.81926 5.93884 9.22598 numMergedOcc 0
17 mol 60 unq 0 iso 0 dist 9.90939 8.4312 5.85676 5.67502 10.1323 7.57295 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 9.90939 8.4312 5.85676 5.00018 11.6165 7.48086 numMergedOcc 0
19 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 8.62608 4.74544 6.9103 numMergedOcc 0
20 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 8.62608 7.56205 9.69044 numMergedOcc 0
21 mol 69 unq 0 iso 0 dist 9.97775 6.9362 5.1678 8.99811 10.8967 5.99857 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 9.27838 7.12321 14.005 5.36766 11.1896 9.74228 numMergedOcc 0
23 mol 72 unq 1 iso 0 dist 9.27838 7.12321 14.005 8.24309 16.0048 6.21799 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 6.02816 5.61588 8.26195 8.07446 12.4089 5.5087 numMergedOcc 0
25 mol 73 unq 1 iso 0 dist 6.02816 7.83244 12.382 8.07446 12.4089 6.08682 numMergedOcc 0
26 mol 95 unq 0 iso 0 dist 9.49454 8.27883 15.7954 6.59884 15.8861 7.7152 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 9.51923 9.42961 5.92242 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 8.40073 4.47349 5.2571 numMergedOcc 0
29 mol 98 unq 2 iso 0 dist 6.7117 5.10496 3.94967 10.2427 5.65185 8.7497 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 7.23884 9.64383 12.82 13.659 18.2503 7.54889 numMergedOcc 0
31 mol 98 unq 4 iso 0 dist 7.23884 9.64383 12.82 14.591 17.2188 7.78931 numMergedOcc 0
32 mol 98 unq 5 iso 0 dist 4.47349 7.54889 3.92737 13.659 12.5931 9.64383 numMergedOcc 0
33 mol 98 unq 6 iso 0 dist 4.47349 7.54889 3.92737 5.02887 5.65185 7.78931 numMergedOcc 0
34 mol 98 unq 7 iso 0 dist 4.47349 5.2571 3.94967 8.40073 6.7117 5.10496 numMergedOcc 0
35 mol 98 unq 8 iso 0 dist 4.47349 5.2571 3.94967 9.42358 9.42961 5.92242 numMergedOcc 0
36 mol 98 unq 9 iso 0 dist 4.47349 5.2571 3.94967 5.02887 5.65185 8.7497 numMergedOcc 0
37 mol 98 unq 10 iso 0 dist 5.65185 7.78931 3.92737 14.591 12.5931 9.64383 numMergedOcc 0
38 mol 98 unq 11 iso 0 dist 5.65185 7.78931 3.92737 5.02887 4.47349 7.54889 numMergedOcc 0
39 mol 98 unq 12 iso 0 dist 5.65185 8.7497 3.94967 10.2427 6.7117 5.10496 numMergedOcc 0
40 mol 98 unq 13 iso 0 dist 5.65185 8.7497 3.94967 13.9786 9.42961 5.92242 numMergedOcc 0
41 mol 98 unq 14 iso 0 dist 5.65185 8.7497 3.94967 5.02887 4.47349 5.2571 numMergedOcc 0
42 mol 100 unq 0 iso 0 dist 7.80975 9.21662 12.48 10.8375 14.8081 8.91882 numMergedOcc 0
43 mol 119 unq 0 iso 0 dist 9.11344 6.99446 5.37917 10.9871 9.87889 8.95212 numMergedOcc 0
44 mol 119 unq 1 iso 0 dist 9.11344 6.99446 5.37917 4.85907 6.52773 7.64052 numMergedOcc 0
45 mol 119 unq 2 iso 0 dist 6.52773 7.64052 5.37917 9.93257 9.87889 8.95212 numMergedOcc 0
46 mol 119 unq 3 iso 0 dist 6.52773 7.64052 5.37917 4.85907 9.11344 6.99446 numMergedOcc 0
47 mol 119 unq 4 iso 0 dist 8.00003 8.95212 12.3661 10.9871 13.7362 6.99446 numMergedOcc 0
48 mol 119 unq 5 iso 0 dist 8.00003 8.95212 12.3661 9.93257 9.77873 7.64052 numMergedOcc 0
49 mol 119 unq 6 iso 0 dist 9.23858 7.64052 15.7711 9.93257 18.192 8.95212 numMergedOcc 0
50 mol 119 unq 7 iso 0 dist 9.23858 7.64052 15.7711 4.85907 12.7677 6.99446 numMergedOcc 0
51 mol 133 unq 0 iso 0 dist 7.71248 8.26547 8.88402 5.61668 12.4749 9.05342 numMergedOcc 0
52 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 6.81259 9.94764 8.69531 numMergedOcc 0
53 mol 134 unq 1 iso 0 dist 9.94764 9.1998 11.5269 11.6064 12.1214 6.42772 numMergedOcc 0
54 mol 134 unq 2 iso 0 dist 9.94764 9.1998 11.5269 7.09823 15.049 8.70621 numMergedOcc 0
55 mol 134 unq 3 iso 0 dist 9.94764 8.69531 6.93712 6.81259 6.23142 9.33094 numMergedOcc 0
56 mol 152 unq 0 iso 0 dist 6.46461 6.41689 3.87512 6.8016 10.5288 9.07758 numMergedOcc 0
57 mol 167 unq 0 iso 0 dist 9.67741 9.2289 8.91275 4.70068 11.6896 7.68266 numMergedOcc 0
58 mol 167 unq 1 iso 0 dist 9.67741 9.2289 8.91275 10.3445 12.8466 7.6616 numMergedOcc 0
59 mol 167 unq 2 iso 0 dist 9.67741 7.02548 5.95858 4.70068 11.6896 6.84752 numMergedOcc 0
60 mol 167 unq 3 iso 0 dist 9.67741 7.02548 5.95858 10.3445 12.8466 7.86563 numMergedOcc 0
61 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 6.01247 6.22122 8.59874 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 6.22122 8.59874 6.39406 6.01247 6.2479 9.76212 numMergedOcc 0
63 mol 181 unq 2 iso 0 dist 5.94469 9.01624 11.9796 11.5866 14.8638 5.05973 numMergedOcc 0
64 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 6.83796 10.5615 9.3498 numMergedOcc 0
65 mol 186 unq 1 iso 0 dist 8.73217 6.61112 4.03697 7.09479 10.6519 8.90571 numMergedOcc 0
66 mol 219 unq 0 iso 0 dist 7.59632 4.33238 5.75906 7.02195 10.3776 7.83604 numMergedOcc 0
67 mol 235 unq 0 iso 0 dist 8.69356 8.19317 10.0135 7.218 10.3932 5.1823 numMergedOcc 0
68 mol 235 unq 1 iso 0 dist 8.69356 6.29377 5.2878 7.218 10.3932 5.70635 numMergedOcc 0
69 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 15.7907 21.6822 9.12776 numMergedOcc 0
70 mol 238 unq 1 iso 0 dist 7.10685 6.99888 6.65214 10.1813 14.7484 9.08509 numMergedOcc 0
71 mol 259 unq 0 iso 0 dist 7.98231 9.46361 4.10176 6.96053 7.08526 6.95511 numMergedOcc 0
72 mol 259 unq 1 iso 0 dist 7.08526 5.85442 4.47425 9.98105 10.4552 6.9899 numMergedOcc 0
73 mol 259 unq 2 iso 0 dist 7.08526 6.95511 4.10176 6.96053 7.98231 9.46361 numMergedOcc 0
74 mol 292 unq 0 iso 0 dist 7.83341 9.9182 13.4805 10.3106 16.7493 7.30758 numMergedOcc 0
75 mol 292 unq 1 iso 0 dist 7.83341 9.9182 13.4805 12.1693 16.0086 9.10788 numMergedOcc 0
76 mol 292 unq 2 iso 0 dist 7.83341 8.9221 8.14131 12.1693 16.0086 8.85064 numMergedOcc 0
77 mol 292 unq 3 iso 0 dist 8.87028 7.30758 4.09485 10.3106 10.0775 9.9182 numMergedOcc 0
78 mol 292 unq 4 iso 0 dist 8.87028 7.30758 4.09485 12.6861 12.7202 9.10788 numMergedOcc 0
79 mol 292 unq 5 iso 0 dist 7.07965 8.38121 13.8468 11.8061 18.2597 9.90967 numMergedOcc 0
