0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 13.3513 7.57578 13.466 5.03904 4.79873 6.29702 10.2864 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 10.5274 8.40051 13.3513 7.57578 13.466 16.8735 9.48085 13.591 5.18617 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.46842 10.5274 8.40051 14.4516 7.17969 14.4191 5.03904 4.79873 6.29702 11.4148 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.46842 10.5274 8.40051 14.4516 7.17969 14.4191 16.8735 9.48085 13.591 5.68041 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 8.50987 12.3669 7.63928 6.44262 6.03987 6.17631 9.55844 7.99919 4.88495 4.77954 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.36475 5.94401 6.4551 5.66392 6.97941 8.78063 8.41297 9.6952 5.79134 8.66662 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 7.08612 7.27724 5.33325 5.9335 9.3948 8.55456 3.94537 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.5136 11.2915 9.65047 7.08612 7.27724 5.33325 9.88003 9.74607 3.84879 6.12605 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 6.5136 11.2915 9.65047 11.085 8.03644 5.69671 5.9335 9.3948 8.55456 11.3215 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 6.5136 11.2915 9.65047 11.085 8.03644 5.69671 9.88003 9.74607 3.84879 5.06946 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 14.6144 7.90328 10.4485 10.1153 8.84018 5.61881 7.20875 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 8.98848 4.82309 6.90827 10.0436 7.83136 5.27151 10.1153 8.84018 5.61881 3.77029 numMergedOcc 0
12 mol 117 unq 2 iso 0 dist 8.98848 4.82309 6.90827 6.81312 7.0603 4.45276 10.1153 8.84018 5.61881 5.21535 numMergedOcc 0
13 mol 117 unq 3 iso 0 dist 8.98848 3.47603 8.90977 14.6144 7.90328 13.8755 10.1153 8.84018 9.58747 7.20875 numMergedOcc 0
14 mol 117 unq 4 iso 0 dist 8.98848 3.47603 8.90977 10.0436 7.83136 10.6616 10.1153 8.84018 9.58747 3.77029 numMergedOcc 0
15 mol 117 unq 5 iso 0 dist 8.98848 3.47603 8.90977 6.81312 7.0603 4.98254 10.1153 8.84018 9.58747 5.21535 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 7.86921 8.54584 14.5776 5.75588 5.51197 9.05571 12.1739 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 6.1421 12.3343 9.28278 7.86921 8.54584 14.5776 3.82645 6.69691 9.63308 8.26896 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 6.1421 12.3343 9.28278 7.86921 8.54584 14.5776 4.18263 8.86944 14.5546 5.63254 numMergedOcc 0
19 mol 129 unq 3 iso 0 dist 9.54663 10.4416 9.28278 6.95124 8.54584 14.5776 11.0564 5.51197 9.05571 12.1739 numMergedOcc 0
20 mol 129 unq 4 iso 0 dist 9.54663 10.4416 9.28278 6.95124 8.54584 14.5776 5.71616 6.69691 9.63308 8.26896 numMergedOcc 0
21 mol 129 unq 5 iso 0 dist 9.54663 10.4416 9.28278 6.95124 8.54584 14.5776 7.22602 8.86944 14.5546 5.63254 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 4.26332 6.29155 10.2385 13.4842 8.77023 11.5628 13.0405 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 7.85025 13.039 5.82404 11.5948 6.80239 4.64588 13.4842 8.77023 11.5628 13.7612 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 7.85025 13.039 5.82404 13.8058 8.00618 5.37072 13.4842 8.77023 11.5628 15.0115 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 15.9383 9.65138 6.28065 10.2403 7.46481 14.8375 11.4955 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 9.33638 16.7561 9.51764 7.31241 7.14453 11.2159 10.2403 7.46481 14.8375 8.459 numMergedOcc 0
27 mol 214 unq 2 iso 0 dist 9.33638 16.7561 9.51764 17.0758 8.85478 6.53326 10.2403 7.46481 14.8375 11.1534 numMergedOcc 0
28 mol 214 unq 3 iso 0 dist 9.33638 5.24733 5.36829 15.9383 9.65138 11.7583 10.2403 7.46481 5.47184 11.4955 numMergedOcc 0
29 mol 214 unq 4 iso 0 dist 9.33638 5.24733 5.36829 7.31241 7.14453 4.98764 10.2403 7.46481 5.47184 8.459 numMergedOcc 0
30 mol 214 unq 5 iso 0 dist 9.33638 5.24733 5.36829 17.0758 8.85478 12.3481 10.2403 7.46481 5.47184 11.1534 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 5.07968 6.85536 7.16386 4.58603 9.41367 9.02283 4.49605 8.2123 4.94998 4.49451 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 10.705 8.22528 8.65216 9.76444 7.27993 3.72432 5.70473 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 9.68636 12.8446 8.6537 5.6419 7.03423 10.7439 9.76444 7.27993 3.72432 7.22525 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 14.7629 9.45496 12.0816 12.4759 7.81215 9.8663 12.4252 numMergedOcc 0
35 mol 234 unq 1 iso 0 dist 7.17987 14.3029 7.86368 13.5847 6.7625 6.94762 12.4759 7.81215 9.8663 5.75498 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 13.7396 5.85442 5.49348 10.067 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 15.7491 6.95511 5.13138 11.6988 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 4.83355 9.7748 10.8075 11.4058 9.35539 12.7269 11.4555 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 6.86014 11.7966 9.29635 4.83355 9.7748 10.8075 14.6762 8.9682 12.2421 17.6038 numMergedOcc 0
40 mol 277 unq 2 iso 0 dist 6.86014 11.7966 9.29635 4.83355 9.7748 10.8075 11.68 6.92711 10.9521 14.772 numMergedOcc 0
41 mol 277 unq 3 iso 0 dist 5.97073 7.00586 9.29635 11.2857 9.7748 10.8075 6.9003 9.35539 12.7269 11.4555 numMergedOcc 0
42 mol 277 unq 4 iso 0 dist 5.97073 7.00586 9.29635 11.2857 9.7748 10.8075 11.3103 8.9682 12.2421 17.6038 numMergedOcc 0
43 mol 277 unq 5 iso 0 dist 5.97073 7.00586 9.29635 11.2857 9.7748 10.8075 10.5734 6.92711 10.9521 14.772 numMergedOcc 0
44 mol 277 unq 6 iso 0 dist 6.49176 7.86614 9.29635 14.4976 9.7748 10.8075 11.7592 9.35539 12.7269 11.4555 numMergedOcc 0
45 mol 277 unq 7 iso 0 dist 6.49176 7.86614 9.29635 14.4976 9.7748 10.8075 6.40883 8.9682 12.2421 17.6038 numMergedOcc 0
46 mol 277 unq 8 iso 0 dist 6.49176 7.86614 9.29635 14.4976 9.7748 10.8075 6.79352 6.92711 10.9521 14.772 numMergedOcc 0
47 mol 292 unq 0 iso 0 dist 6.87804 12.1872 9.20416 11.634 8.2734 5.26243 4.77692 7.20674 8.88312 7.8414 numMergedOcc 0
48 mol 292 unq 1 iso 0 dist 6.87804 12.1872 9.20416 11.634 8.2734 5.26243 6.38012 8.38121 12.3704 14.179 numMergedOcc 0
49 mol 292 unq 2 iso 0 dist 6.87804 12.2904 7.53641 11.634 8.2734 5.58251 4.77692 7.20674 10.0594 7.8414 numMergedOcc 0
50 mol 292 unq 3 iso 0 dist 6.87804 12.2904 7.53641 11.634 8.2734 5.58251 6.38012 8.38121 15.5666 14.179 numMergedOcc 0
51 mol 292 unq 4 iso 0 dist 6.07571 11.4534 9.20416 8.66797 8.2734 5.26243 11.6413 7.20674 8.88312 7.8414 numMergedOcc 0
52 mol 292 unq 5 iso 0 dist 6.07571 11.4534 9.20416 8.66797 8.2734 5.26243 14.3549 8.38121 12.3704 14.179 numMergedOcc 0
53 mol 292 unq 6 iso 0 dist 6.07571 4.49811 7.53641 8.66797 8.2734 5.58251 11.6413 7.20674 10.0594 7.8414 numMergedOcc 0
54 mol 292 unq 7 iso 0 dist 6.07571 4.49811 7.53641 8.66797 8.2734 5.58251 14.3549 8.38121 15.5666 14.179 numMergedOcc 0
