0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 13.3513 7.57578 13.466 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 10.5274 8.40051 14.4516 7.17969 14.4191 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 9.07927 12.3669 9.87281 6.44262 7.31767 6.17631 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.50987 12.3669 7.63928 6.44262 6.03987 6.17631 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 5.67627 5.46557 7.12423 11.4974 9.0709 13.6102 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.46313 3.88133 7.52103 9.46304 6.72123 6.16737 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 8.46313 12.1397 8.46556 9.46304 6.72123 4.90701 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.36475 5.94401 6.4551 5.66392 6.97941 8.78063 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 7.08612 7.27724 5.33325 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.5136 11.2915 9.65047 11.085 8.03644 5.69671 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.42893 4.58154 5.22543 5.81947 6.57035 4.50603 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 14.6144 7.90328 10.4485 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 8.98848 4.82309 6.90827 10.0436 7.83136 5.27151 numMergedOcc 0
13 mol 117 unq 2 iso 0 dist 8.98848 4.82309 6.90827 6.81312 7.0603 4.45276 numMergedOcc 0
14 mol 117 unq 3 iso 0 dist 8.98848 3.47603 8.90977 14.6144 7.90328 13.8755 numMergedOcc 0
15 mol 117 unq 4 iso 0 dist 8.98848 3.47603 8.90977 10.0436 7.83136 10.6616 numMergedOcc 0
16 mol 117 unq 5 iso 0 dist 8.98848 3.47603 8.90977 6.81312 7.0603 4.98254 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 9.41521 9.0362 7.04864 11.2541 8.75408 4.5543 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 9.41521 9.0362 7.04864 8.90504 6.44653 6.81949 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 7.86921 8.54584 14.5776 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 9.06272 4.02665 6.38163 8.2292 9.61051 8.61575 numMergedOcc 0
21 mol 129 unq 2 iso 0 dist 9.06272 4.02665 6.38163 10.7142 5.83384 10.0961 numMergedOcc 0
22 mol 129 unq 3 iso 0 dist 9.54663 10.4416 9.28278 6.95124 8.54584 14.5776 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 7.69184 6.85062 11.4498 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 4.26332 6.29155 10.2385 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 7.85025 13.039 5.82404 11.5948 6.80239 4.64588 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 7.85025 13.039 5.82404 13.8058 8.00618 5.37072 numMergedOcc 0
27 mol 155 unq 0 iso 0 dist 9.56095 10.1632 6.7973 6.64179 6.23493 5.01118 numMergedOcc 0
28 mol 180 unq 0 iso 0 dist 7.24785 16.5686 9.88732 14.0966 9.62337 6.54937 numMergedOcc 0
29 mol 180 unq 1 iso 0 dist 7.24785 11.9699 5.77949 14.0966 9.62337 6.91082 numMergedOcc 0
30 mol 180 unq 2 iso 0 dist 7.24785 14.8912 8.68403 14.0966 9.62337 10.1423 numMergedOcc 0
31 mol 180 unq 3 iso 0 dist 7.24785 4.80648 5.80441 14.0966 9.62337 9.82186 numMergedOcc 0
32 mol 180 unq 4 iso 0 dist 7.53287 15.4961 9.88732 14.0344 9.62337 6.54937 numMergedOcc 0
33 mol 180 unq 5 iso 0 dist 7.53287 10.2233 5.77949 14.0344 9.62337 6.91082 numMergedOcc 0
34 mol 180 unq 6 iso 0 dist 7.53287 12.1751 8.68403 14.0344 9.62337 10.1423 numMergedOcc 0
35 mol 180 unq 7 iso 0 dist 7.53287 5.28726 5.80441 14.0344 9.62337 9.82186 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 15.9383 9.65138 6.28065 numMergedOcc 0
37 mol 214 unq 1 iso 0 dist 9.33638 16.7561 9.51764 7.31241 7.14453 11.2159 numMergedOcc 0
38 mol 214 unq 2 iso 0 dist 9.33638 16.7561 9.51764 17.0758 8.85478 6.53326 numMergedOcc 0
39 mol 214 unq 3 iso 0 dist 9.33638 5.24733 5.36829 15.9383 9.65138 11.7583 numMergedOcc 0
40 mol 214 unq 4 iso 0 dist 9.33638 5.24733 5.36829 7.31241 7.14453 4.98764 numMergedOcc 0
41 mol 214 unq 5 iso 0 dist 9.33638 5.24733 5.36829 17.0758 8.85478 12.3481 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 5.07968 6.85536 7.16386 4.58603 9.41367 9.02283 numMergedOcc 0
43 mol 222 unq 0 iso 0 dist 8.81925 9.27187 9.55777 9.75789 8.01589 6.54251 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 8.81925 9.27187 9.55777 12.7799 7.7699 15.3892 numMergedOcc 0
45 mol 222 unq 2 iso 0 dist 8.81925 9.27187 9.55777 12.5625 7.21333 16.4881 numMergedOcc 0
46 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 10.705 8.22528 8.65216 numMergedOcc 0
47 mol 229 unq 1 iso 0 dist 9.68636 12.8446 8.6537 5.6419 7.03423 10.7439 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 14.7629 9.45496 12.0816 numMergedOcc 0
49 mol 234 unq 1 iso 0 dist 7.17987 14.3029 7.86368 13.5847 6.7625 6.94762 numMergedOcc 0
50 mol 236 unq 0 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 numMergedOcc 0
51 mol 236 unq 1 iso 0 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 numMergedOcc 0
52 mol 236 unq 2 iso 0 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 numMergedOcc 0
53 mol 236 unq 3 iso 0 dist 6.0087 13.2917 8.90987 8.71933 9.78037 11.2846 numMergedOcc 0
54 mol 236 unq 4 iso 0 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 9.94587 5.6925 6.24928 4.3284 6.57393 5.33567 numMergedOcc 0
56 mol 239 unq 0 iso 0 dist 9.73858 5.61461 6.44212 7.43079 6.16342 7.97883 numMergedOcc 0
57 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 12.1004 7.57994 9.07501 numMergedOcc 0
58 mol 249 unq 1 iso 0 dist 9.14351 8.05633 6.37672 9.40115 6.18582 4.24014 numMergedOcc 0
59 mol 249 unq 2 iso 0 dist 9.14351 6.09778 8.94023 12.1004 7.57994 9.53929 numMergedOcc 0
60 mol 249 unq 3 iso 0 dist 9.14351 6.09778 8.94023 9.40115 6.18582 5.36989 numMergedOcc 0
61 mol 253 unq 0 iso 0 dist 9.75753 12.1288 5.89502 15.0268 9.02271 9.25001 numMergedOcc 0
62 mol 253 unq 1 iso 0 dist 9.75753 15.7857 7.15815 15.0268 9.02271 4.93871 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 numMergedOcc 0
64 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 4.83355 9.7748 10.8075 numMergedOcc 0
65 mol 277 unq 1 iso 0 dist 5.97073 7.00586 9.29635 11.2857 9.7748 10.8075 numMergedOcc 0
66 mol 277 unq 2 iso 0 dist 6.49176 7.86614 9.29635 14.4976 9.7748 10.8075 numMergedOcc 0
67 mol 279 unq 0 iso 0 dist 9.60619 15.5414 7.74162 9.96126 9.70696 9.5773 numMergedOcc 0
68 mol 292 unq 0 iso 0 dist 6.87804 12.1872 9.20416 11.634 8.2734 5.26243 numMergedOcc 0
69 mol 292 unq 1 iso 0 dist 6.87804 12.2904 7.53641 11.634 8.2734 5.58251 numMergedOcc 0
70 mol 292 unq 2 iso 0 dist 6.07571 11.4534 9.20416 8.66797 8.2734 5.26243 numMergedOcc 0
71 mol 292 unq 3 iso 0 dist 6.07571 4.49811 7.53641 8.66797 8.2734 5.58251 numMergedOcc 0
