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 7 unq 0 iso 0 dist 9.32945 8.0166 5.63739 15.279 8.85869 13.8453 17.302 9.85726 13.148 14.1047 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.32945 9.90117 5.38328 15.279 8.85869 7.5298 17.302 9.85726 10.8678 14.1047 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.90117 8.0166 10.2796 15.279 7.5298 13.8453 6.96396 7.21217 12.2471 14.06 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.90117 8.0166 10.2796 11.7275 8.94874 16.9449 6.96396 7.21217 12.2471 5.77391 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 9.90117 9.32945 5.38328 15.279 7.5298 8.85869 6.96396 7.21217 10.2729 14.06 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 9.90117 9.32945 5.38328 11.7275 8.94874 13.7 6.96396 7.21217 10.2729 5.77391 numMergedOcc 0
7 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
8 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
9 mol 73 unq 0 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
10 mol 73 unq 1 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
11 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 6.13631 7.84699 6.99156 10.5627 6.89722 10.1503 13.4367 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 12.6081 7.53504 7.21285 10.5627 6.89722 10.1503 9.64124 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 9.27355 5.39171 5.47475 6.13631 8.40844 7.84699 10.8067 9.68526 11.7436 5.33851 numMergedOcc 0
14 mol 73 unq 5 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
15 mol 73 unq 6 iso 0 dist 9.27355 5.39171 5.47475 6.13631 8.40844 7.84699 17.4113 9.30776 14.4206 15.7164 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 9.27355 5.39171 5.47475 16.1129 7.02351 12.1654 10.8067 9.68526 11.7436 13.6586 numMergedOcc 0
17 mol 73 unq 8 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
18 mol 73 unq 9 iso 0 dist 9.27355 5.39171 5.47475 16.1129 7.02351 12.1654 17.4113 9.30776 14.4206 4.15333 numMergedOcc 0
19 mol 73 unq 10 iso 0 dist 9.27355 5.39171 5.47475 12.6081 8.66342 7.53504 10.8067 9.68526 11.7436 16.8585 numMergedOcc 0
20 mol 73 unq 11 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
21 mol 73 unq 12 iso 0 dist 9.27355 5.39171 5.47475 12.6081 8.66342 7.53504 17.4113 9.30776 14.4206 16.0481 numMergedOcc 0
22 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
23 mol 73 unq 14 iso 0 dist 9.27355 8.60363 4.4628 6.13631 8.40844 6.99156 10.5627 7.26679 10.1503 13.4367 numMergedOcc 0
24 mol 73 unq 15 iso 0 dist 9.27355 8.60363 4.4628 6.13631 8.40844 6.99156 17.4113 9.30776 13.2514 15.7164 numMergedOcc 0
25 mol 73 unq 16 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
26 mol 73 unq 17 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 10.5627 7.26679 10.1503 10.3774 numMergedOcc 0
27 mol 73 unq 18 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 17.4113 9.30776 13.2514 4.15333 numMergedOcc 0
28 mol 73 unq 19 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
29 mol 73 unq 20 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 10.5627 7.26679 10.1503 9.64124 numMergedOcc 0
30 mol 73 unq 21 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 17.4113 9.30776 13.2514 16.0481 numMergedOcc 0
31 mol 73 unq 22 iso 0 dist 8.60363 5.39171 5.05066 6.13631 6.99156 7.84699 10.8067 9.72442 11.7436 5.33851 numMergedOcc 0
32 mol 73 unq 23 iso 0 dist 8.60363 5.39171 5.05066 6.13631 6.99156 7.84699 16.3515 9.02288 11.1478 16.0086 numMergedOcc 0
33 mol 73 unq 24 iso 0 dist 8.60363 5.39171 5.05066 12.6081 7.21285 7.53504 10.8067 9.72442 11.7436 16.8585 numMergedOcc 0
34 mol 73 unq 25 iso 0 dist 8.60363 5.39171 5.05066 12.6081 7.21285 7.53504 16.3515 9.02288 11.1478 4.91508 numMergedOcc 0
35 mol 73 unq 26 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
36 mol 73 unq 27 iso 0 dist 8.60363 9.27355 4.4628 6.13631 6.99156 8.40844 16.3515 9.02288 9.75201 16.0086 numMergedOcc 0
37 mol 73 unq 28 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
38 mol 73 unq 29 iso 0 dist 8.60363 9.27355 4.4628 12.6081 7.21285 8.66342 16.3515 9.02288 9.75201 4.91508 numMergedOcc 0
39 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 7.22809 8.592 14.0354 7.65733 7.25166 12.8848 4.24853 numMergedOcc 0
40 mol 114 unq 1 iso 0 dist 5.31281 8.9922 5.67339 7.22809 8.592 14.0354 5.24877 8.42445 10.2889 9.52181 numMergedOcc 0
41 mol 199 unq 0 iso 0 dist 9.56785 9.88917 10.3162 10.1856 8.27889 14.034 5.60906 9.60407 12.6059 5.5688 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 9.89311 7.71155 6.26321 13.8587 8.21112 13.8569 14.1114 7.07183 11.098 7.42296 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 9.89311 7.71155 6.26321 9.6353 7.06533 11.3296 14.1114 7.07183 11.098 8.60418 numMergedOcc 0
44 mol 205 unq 2 iso 0 dist 9.89311 7.71155 6.26321 11.7852 5.94835 6.76947 14.1114 7.07183 11.098 5.30941 numMergedOcc 0
45 mol 211 unq 0 iso 0 dist 9.8921 8.50841 8.59334 15.2751 7.15386 11.989 11.3877 8.63308 10.546 7.03173 numMergedOcc 0
46 mol 211 unq 1 iso 0 dist 9.8921 8.50841 8.59334 17.5039 7.73993 14.4642 11.3877 8.63308 10.546 11.6621 numMergedOcc 0
47 mol 211 unq 2 iso 0 dist 9.8921 8.50841 8.59334 16.4954 9.45365 10.7444 11.3877 8.63308 10.546 8.91121 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 14.9808 5.69733 14.3696 17.404 8.49704 14.249 5.68711 numMergedOcc 0
49 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 6.40358 4.3362 5.51565 6.19375 7.31105 10.2676 9.20027 numMergedOcc 0
50 mol 224 unq 0 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
51 mol 249 unq 0 iso 0 dist 6.18866 9.3807 5.2966 6.59067 5.66519 6.50067 6.28944 5.78121 10.4288 6.47697 numMergedOcc 0
52 mol 249 unq 1 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
53 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
54 mol 258 unq 0 iso 0 dist 7.70189 6.08181 9.86352 5.79358 6.59521 10.9114 9.78068 8.58088 15.2652 5.13233 numMergedOcc 0
55 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
56 mol 274 unq 1 iso 0 dist 9.07452 7.21004 10.3541 14.9337 8.17922 14.8666 11.3921 9.86142 13.506 7.60191 numMergedOcc 0
57 mol 274 unq 2 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
58 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
59 mol 274 unq 4 iso 0 dist 6.44266 8.75703 10.3541 6.26074 8.17922 14.8666 6.99898 9.86142 13.506 7.60191 numMergedOcc 0
60 mol 274 unq 5 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
