0 mol 2 unq 0 iso 0 dist 9.74371 9.08872 6.23988 14.7531 9.53758 11.3896 9.97525 6.35342 9.58976 5.7104 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.74371 9.08872 6.23988 14.7531 9.53758 11.3896 3.9935 12.3504 9.57645 17.0586 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 8.7041 9.84876 11.2643 5.79308 5.31026 12.5387 6.8787 13.0418 9.71908 12.1293 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 5.85668 6.0323 10.2084 17.302 13.148 9.85726 16.6114 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 8.0166 9.90117 10.2796 5.85668 6.0323 12.9667 6.96396 12.2471 7.21217 11.2706 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.32945 9.90117 5.38328 15.279 8.85869 7.5298 6.96396 10.2729 7.21217 14.06 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 9.90117 9.32945 5.38328 15.279 7.5298 8.85869 17.302 10.8678 9.85726 14.1047 numMergedOcc 0
7 mol 7 unq 4 iso 0 dist 9.90117 9.32945 5.38328 11.7275 8.94874 13.7 17.302 10.8678 9.85726 18.3311 numMergedOcc 0
8 mol 14 unq 0 iso 0 dist 8.51178 7.04966 9.64649 6.96046 8.79533 12.1205 9.55728 16.2349 8.73627 13.3942 numMergedOcc 0
9 mol 14 unq 1 iso 0 dist 8.51178 7.04966 9.64649 6.96046 8.79533 12.1205 5.68897 13.9342 8.69369 10.4927 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 8.30431 4.628 8.0979 16.966 9.94756 17.9242 6.32949 9.62468 5.92705 18.7183 numMergedOcc 0
11 mol 61 unq 1 iso 0 dist 4.628 8.30431 8.0979 4.71793 6.85094 12.8266 6.32949 5.92705 9.62468 7.15161 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 6.13631 7.84699 8.40844 10.8067 11.7436 9.68526 5.33851 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 6.13631 7.84699 8.40844 10.5627 6.89722 7.26679 13.4367 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 5.39171 9.27355 5.47475 6.13631 7.84699 8.40844 17.4113 14.4206 9.30776 15.7164 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 5.39171 9.27355 5.47475 12.6081 7.53504 8.66342 10.8067 11.7436 9.68526 16.8585 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 5.39171 9.27355 5.47475 12.6081 7.53504 8.66342 10.5627 6.89722 7.26679 9.64124 numMergedOcc 0
17 mol 73 unq 5 iso 0 dist 5.39171 9.27355 5.47475 12.6081 7.53504 8.66342 17.4113 14.4206 9.30776 16.0481 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 5.39171 8.60363 5.05066 6.13631 7.84699 6.99156 10.8067 11.7436 9.72442 5.33851 numMergedOcc 0
19 mol 73 unq 7 iso 0 dist 5.39171 8.60363 5.05066 6.13631 7.84699 6.99156 16.3515 11.1478 9.02288 16.0086 numMergedOcc 0
20 mol 73 unq 8 iso 0 dist 5.39171 8.60363 5.05066 12.6081 7.53504 7.21285 10.8067 11.7436 9.72442 16.8585 numMergedOcc 0
21 mol 73 unq 9 iso 0 dist 5.39171 8.60363 5.05066 12.6081 7.53504 7.21285 16.3515 11.1478 9.02288 4.91508 numMergedOcc 0
22 mol 73 unq 10 iso 0 dist 9.27355 5.39171 5.47475 6.13631 8.40844 7.84699 10.5627 7.26679 6.89722 13.4367 numMergedOcc 0
23 mol 73 unq 11 iso 0 dist 9.27355 5.39171 5.47475 16.1129 7.02351 12.1654 10.5627 7.26679 6.89722 10.3774 numMergedOcc 0
24 mol 73 unq 12 iso 0 dist 9.27355 5.39171 5.47475 12.6081 8.66342 7.53504 10.5627 7.26679 6.89722 9.64124 numMergedOcc 0
25 mol 73 unq 13 iso 0 dist 9.27355 8.60363 4.4628 6.13631 8.40844 6.99156 10.8067 9.68526 9.72442 5.33851 numMergedOcc 0
26 mol 73 unq 14 iso 0 dist 9.27355 8.60363 4.4628 6.13631 8.40844 6.99156 16.3515 9.75201 9.02288 16.0086 numMergedOcc 0
27 mol 73 unq 15 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 10.8067 9.68526 9.72442 13.6586 numMergedOcc 0
28 mol 73 unq 16 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 16.3515 9.75201 9.02288 10.539 numMergedOcc 0
29 mol 73 unq 17 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 10.8067 9.68526 9.72442 16.8585 numMergedOcc 0
30 mol 73 unq 18 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 16.3515 9.75201 9.02288 4.91508 numMergedOcc 0
31 mol 73 unq 19 iso 0 dist 8.60363 5.39171 5.05066 6.13631 6.99156 7.84699 10.5627 10.1503 6.89722 13.4367 numMergedOcc 0
32 mol 73 unq 20 iso 0 dist 8.60363 5.39171 5.05066 12.6081 7.21285 7.53504 10.5627 10.1503 6.89722 9.64124 numMergedOcc 0
33 mol 73 unq 21 iso 0 dist 8.60363 9.27355 4.4628 6.13631 6.99156 8.40844 10.8067 9.72442 9.68526 5.33851 numMergedOcc 0
34 mol 73 unq 22 iso 0 dist 8.60363 9.27355 4.4628 6.13631 6.99156 8.40844 10.5627 10.1503 7.26679 13.4367 numMergedOcc 0
35 mol 73 unq 23 iso 0 dist 8.60363 9.27355 4.4628 6.13631 6.99156 8.40844 17.4113 13.2514 9.30776 15.7164 numMergedOcc 0
36 mol 73 unq 24 iso 0 dist 8.60363 9.27355 4.4628 12.6081 7.21285 8.66342 10.8067 9.72442 9.68526 16.8585 numMergedOcc 0
37 mol 73 unq 25 iso 0 dist 8.60363 9.27355 4.4628 12.6081 7.21285 8.66342 10.5627 10.1503 7.26679 9.64124 numMergedOcc 0
38 mol 73 unq 26 iso 0 dist 8.60363 9.27355 4.4628 12.6081 7.21285 8.66342 17.4113 13.2514 9.30776 16.0481 numMergedOcc 0
39 mol 178 unq 0 iso 0 dist 6.25455 8.14441 5.82281 6.33374 7.82796 10.0941 13.6129 12.1615 8.0974 12.0146 numMergedOcc 0
40 mol 199 unq 0 iso 0 dist 9.56785 9.88917 10.3162 10.1856 8.27889 14.034 11.2655 12.7467 8.68505 10.6753 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 7.71155 9.89311 6.26321 11.7852 6.76947 5.94835 14.1114 11.098 7.07183 5.30941 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 7.20255 7.57712 5.88344 6.40358 5.51565 4.3362 6.19375 10.2676 7.31105 9.20027 numMergedOcc 0
43 mol 220 unq 1 iso 0 dist 7.20255 7.57712 5.88344 7.36665 9.74776 10.181 6.19375 10.2676 7.31105 12.2122 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 9.37276 5.97988 8.07582 5.07348 8.62228 9.14793 6.70321 13.3653 6.08709 10.2978 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 6.6537 9.08719 11.6002 9.80029 7.46044 17.2648 4.55824 9.75313 6.08709 13.1803 numMergedOcc 0
46 mol 249 unq 0 iso 0 dist 6.18866 9.3807 5.2966 6.59067 5.66519 6.50067 12.5843 7.29898 8.91685 8.68833 numMergedOcc 0
47 mol 249 unq 1 iso 0 dist 9.3807 6.18866 5.2966 6.59067 6.50067 5.66519 6.28944 10.4288 5.78121 6.47697 numMergedOcc 0
48 mol 249 unq 2 iso 0 dist 9.3807 6.18866 5.2966 6.59067 6.50067 5.66519 12.5843 8.91685 7.29898 8.68833 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 11.1086 9.26487 17.4434 9.78068 15.2652 8.58088 19.8503 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 8.91916 4.55368 4.70261 15.0643 9.2772 11.5263 6.18571 12.2198 7.93997 14.9528 numMergedOcc 0
51 mol 265 unq 0 iso 0 dist 4.03921 9.56472 13.1954 5.46523 5.10595 13.9472 15.3912 18.8298 9.72927 16.9466 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 14.9337 8.17922 14.8666 6.11218 7.80446 9.91395 10.374 numMergedOcc 0
53 mol 274 unq 1 iso 0 dist 7.21004 9.07452 10.3541 6.33183 5.68643 12.136 6.11218 9.91395 7.80446 7.48637 numMergedOcc 0
54 mol 274 unq 2 iso 0 dist 7.21004 9.07452 10.3541 6.33183 5.68643 12.136 11.3921 13.506 9.86142 10.9918 numMergedOcc 0
55 mol 274 unq 3 iso 0 dist 6.44266 8.75703 10.3541 6.26074 8.17922 14.8666 6.98398 7.80446 9.91395 10.374 numMergedOcc 0
56 mol 274 unq 4 iso 0 dist 8.75703 6.44266 10.3541 9.34663 5.68643 12.136 6.98398 9.91395 7.80446 7.48637 numMergedOcc 0
57 mol 274 unq 5 iso 0 dist 8.75703 6.44266 10.3541 9.34663 5.68643 12.136 6.99898 13.506 9.86142 10.9918 numMergedOcc 0
