0 mol 0 unq 0 iso 0 dist 5.79741 8.84413 7.74146 6.2737 9.95014 12.1438 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 9.74371 9.08872 6.23988 14.7531 9.53758 11.3896 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 8.7041 9.84876 11.2643 5.79308 5.31026 12.5387 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 5.85668 6.0323 10.2084 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 8.0166 9.90117 10.2796 5.85668 6.0323 12.9667 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.32945 8.0166 5.63739 15.279 8.85869 13.8453 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 9.32945 9.90117 5.38328 15.279 8.85869 7.5298 numMergedOcc 0
7 mol 7 unq 4 iso 0 dist 9.90117 8.0166 10.2796 15.279 7.5298 13.8453 numMergedOcc 0
8 mol 7 unq 5 iso 0 dist 9.90117 8.0166 10.2796 11.7275 8.94874 16.9449 numMergedOcc 0
9 mol 7 unq 6 iso 0 dist 9.90117 9.32945 5.38328 15.279 7.5298 8.85869 numMergedOcc 0
10 mol 7 unq 7 iso 0 dist 9.90117 9.32945 5.38328 11.7275 8.94874 13.7 numMergedOcc 0
11 mol 12 unq 0 iso 0 dist 8.98466 5.9021 12.3127 8.5421 7.96154 14.2972 numMergedOcc 0
12 mol 14 unq 0 iso 0 dist 8.51178 7.04966 9.64649 6.96046 8.79533 12.1205 numMergedOcc 0
13 mol 19 unq 0 iso 0 dist 9.79426 9.3147 17.1338 9.27965 9.55978 18.5363 numMergedOcc 0
14 mol 21 unq 0 iso 0 dist 9.50179 6.72231 7.62467 8.82295 8.62855 12.312 numMergedOcc 0
15 mol 55 unq 0 iso 0 dist 6.67079 7.14636 5.37162 11.993 8.96223 12.3952 numMergedOcc 0
16 mol 61 unq 0 iso 0 dist 8.30431 4.628 8.0979 16.966 9.94756 17.9242 numMergedOcc 0
17 mol 61 unq 1 iso 0 dist 4.628 8.30431 8.0979 4.71793 6.85094 12.8266 numMergedOcc 0
18 mol 69 unq 0 iso 0 dist 7.09393 3.87167 3.83043 8.50938 8.51894 8.27592 numMergedOcc 0
19 mol 69 unq 1 iso 0 dist 3.87167 7.09393 3.83043 8.50938 8.27592 8.51894 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 6.13631 7.84699 8.40844 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 12.6081 7.53504 8.66342 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 6.13631 7.84699 6.99156 numMergedOcc 0
23 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 12.6081 7.53504 7.21285 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 9.27355 5.39171 5.47475 6.13631 8.40844 7.84699 numMergedOcc 0
25 mol 73 unq 5 iso 0 dist 9.27355 5.39171 5.47475 16.1129 7.02351 12.1654 numMergedOcc 0
26 mol 73 unq 6 iso 0 dist 9.27355 5.39171 5.47475 12.6081 8.66342 7.53504 numMergedOcc 0
27 mol 73 unq 7 iso 0 dist 9.27355 8.60363 4.4628 6.13631 8.40844 6.99156 numMergedOcc 0
28 mol 73 unq 8 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 numMergedOcc 0
29 mol 73 unq 9 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 numMergedOcc 0
30 mol 73 unq 10 iso 0 dist 8.60363 5.39171 5.05066 6.13631 6.99156 7.84699 numMergedOcc 0
31 mol 73 unq 11 iso 0 dist 8.60363 5.39171 5.05066 12.6081 7.21285 7.53504 numMergedOcc 0
32 mol 73 unq 12 iso 0 dist 8.60363 9.27355 4.4628 6.13631 6.99156 8.40844 numMergedOcc 0
33 mol 73 unq 13 iso 0 dist 8.60363 9.27355 4.4628 12.6081 7.21285 8.66342 numMergedOcc 0
34 mol 86 unq 0 iso 0 dist 8.39046 8.39947 11.0575 6.75602 8.63569 14.4684 numMergedOcc 0
35 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 7.22809 8.592 14.0354 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 7.85526 5.33543 5.63574 5.57607 7.94564 9.21999 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 5.33543 7.85526 5.63574 5.57607 9.21999 7.94564 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 6.25455 8.14441 5.82281 6.33374 7.82796 10.0941 numMergedOcc 0
39 mol 184 unq 0 iso 0 dist 9.45847 7.895 17.2664 12.9481 5.13722 20.2475 numMergedOcc 0
40 mol 199 unq 0 iso 0 dist 9.56785 9.88917 10.3162 10.1856 8.27889 14.034 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 9.89311 7.71155 6.26321 13.8587 8.21112 13.8569 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 9.89311 7.71155 6.26321 9.6353 7.06533 11.3296 numMergedOcc 0
43 mol 205 unq 2 iso 0 dist 9.89311 7.71155 6.26321 11.7852 5.94835 6.76947 numMergedOcc 0
44 mol 205 unq 3 iso 0 dist 7.71155 9.89311 6.26321 11.7852 6.76947 5.94835 numMergedOcc 0
45 mol 211 unq 0 iso 0 dist 9.8921 8.50841 8.59334 15.2751 7.15386 11.989 numMergedOcc 0
46 mol 211 unq 1 iso 0 dist 9.8921 8.50841 8.59334 17.5039 7.73993 14.4642 numMergedOcc 0
47 mol 211 unq 2 iso 0 dist 9.8921 8.50841 8.59334 16.4954 9.45365 10.7444 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 14.9808 5.69733 14.3696 numMergedOcc 0
49 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 6.40358 4.3362 5.51565 numMergedOcc 0
50 mol 220 unq 1 iso 0 dist 7.20255 7.57712 5.88344 6.40358 5.51565 4.3362 numMergedOcc 0
51 mol 220 unq 2 iso 0 dist 7.20255 7.57712 5.88344 7.36665 9.74776 10.181 numMergedOcc 0
52 mol 220 unq 3 iso 0 dist 7.57716 8.98362 13.3644 7.52634 9.41713 15.8264 numMergedOcc 0
53 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 4.68566 9.86372 7.70946 numMergedOcc 0
54 mol 223 unq 1 iso 0 dist 9.29204 7.80764 16.0208 4.68566 9.86372 11.3699 numMergedOcc 0
55 mol 223 unq 2 iso 0 dist 9.29204 5.75896 11.898 4.68566 9.86372 10.1945 numMergedOcc 0
56 mol 223 unq 3 iso 0 dist 9.14789 9.29204 4.44825 4.68566 7.70946 9.86372 numMergedOcc 0
57 mol 223 unq 4 iso 0 dist 9.14789 7.80764 16.2327 4.68566 7.70946 11.3699 numMergedOcc 0
58 mol 223 unq 5 iso 0 dist 9.14789 5.75896 13.5741 4.68566 7.70946 10.1945 numMergedOcc 0
59 mol 224 unq 0 iso 0 dist 9.37276 5.97988 8.07582 5.07348 8.62228 9.14793 numMergedOcc 0
60 mol 224 unq 1 iso 0 dist 6.6537 9.08719 11.6002 9.80029 7.46044 17.2648 numMergedOcc 0
61 mol 249 unq 0 iso 0 dist 6.18866 9.3807 5.2966 6.59067 5.66519 6.50067 numMergedOcc 0
62 mol 249 unq 1 iso 0 dist 9.3807 6.18866 5.2966 6.59067 6.50067 5.66519 numMergedOcc 0
63 mol 249 unq 2 iso 0 dist 7.58833 9.04715 7.46941 6.13333 6.04688 9.50034 numMergedOcc 0
64 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 11.1086 9.26487 17.4434 numMergedOcc 0
65 mol 258 unq 1 iso 0 dist 7.70189 6.08181 9.86352 5.79358 6.59521 10.9114 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 8.91916 4.55368 4.70261 15.0643 9.2772 11.5263 numMergedOcc 0
67 mol 265 unq 0 iso 0 dist 4.03921 9.56472 13.1954 5.46523 5.10595 13.9472 numMergedOcc 0
68 mol 265 unq 1 iso 0 dist 4.03921 6.5072 7.82127 5.46523 5.10595 11.5573 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 14.9337 8.17922 14.8666 numMergedOcc 0
70 mol 274 unq 1 iso 0 dist 7.21004 9.07452 10.3541 6.33183 5.68643 12.136 numMergedOcc 0
71 mol 274 unq 2 iso 0 dist 6.44266 8.75703 10.3541 6.26074 8.17922 14.8666 numMergedOcc 0
72 mol 274 unq 3 iso 0 dist 8.75703 6.44266 10.3541 9.34663 5.68643 12.136 numMergedOcc 0
73 mol 279 unq 0 iso 0 dist 5.78017 8.78203 10.71 4.77763 8.36655 10.6842 numMergedOcc 0
74 mol 279 unq 1 iso 0 dist 6.12742 7.319 10.8005 5.44699 8.36655 10.0305 numMergedOcc 0
75 mol 279 unq 2 iso 0 dist 6.12742 9.45886 5.48262 5.44699 8.36655 13.376 numMergedOcc 0
76 mol 279 unq 3 iso 0 dist 8.78203 5.78017 10.71 12.3869 8.76889 15.937 numMergedOcc 0
77 mol 279 unq 4 iso 0 dist 8.78203 5.78017 10.71 7.27825 7.04397 12.2658 numMergedOcc 0
78 mol 285 unq 0 iso 0 dist 8.70702 9.43706 14.1636 8.66375 8.78148 17.818 numMergedOcc 0
79 mol 285 unq 1 iso 0 dist 8.70702 9.3482 14.0317 8.66375 8.78148 8.33415 numMergedOcc 0
80 mol 285 unq 2 iso 0 dist 9.3482 8.70702 14.0317 8.66375 8.33415 8.78148 numMergedOcc 0
81 mol 285 unq 3 iso 0 dist 9.3482 9.43706 16.6298 8.66375 8.33415 17.818 numMergedOcc 0
