0 mol 7 unq 0 iso 0 dist 7.5298 14.06 7.21217 12.3221 6.09254 7.10621 12.1191 5.07985 6.1206 7.12508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5298 14.06 7.21217 12.3221 6.09254 7.10621 11.8965 6.83196 7.67927 11.143 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.94874 5.77391 7.21217 11.9671 6.09254 7.10621 8.36111 5.07985 6.1206 7.12508 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.94874 5.77391 7.21217 11.9671 6.09254 7.10621 5.99898 6.83196 7.67927 11.143 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.1188 12.0661 7.57295 7.80499 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 14.1188 12.0661 7.57295 5.6397 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.1188 12.0661 7.57295 8.62476 numMergedOcc 0
7 mol 60 unq 3 iso 0 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 14.1188 12.0661 7.57295 6.55502 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 11.1915 11.8037 7.4729 13.5321 12.7532 8.3773 4.46885 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 8.81172 6.29427 9.84395 8.54233 6.66127 6.10127 6.57678 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 8.54233 6.66127 6.10127 10.5783 numMergedOcc 0
11 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 11.6159 12.4378 8.84018 7.20875 numMergedOcc 0
12 mol 117 unq 3 iso 0 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 11.6159 12.4378 8.84018 3.77029 numMergedOcc 0
13 mol 117 unq 4 iso 0 dist 8.30003 5.21051 9.85576 10.5123 9.53886 7.0603 11.6159 12.4378 8.84018 5.21535 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 18.0518 12.4383 8.37808 17.8898 12.2162 6.00603 6.15636 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 11.6845 9.23267 7.81207 4.67662 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 10.7274 13.4776 7.18002 13.5913 numMergedOcc 0
17 mol 142 unq 2 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 11.6845 9.23267 7.81207 5.81599 numMergedOcc 0
18 mol 142 unq 3 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 10.7274 13.4776 7.18002 9.99555 numMergedOcc 0
19 mol 142 unq 4 iso 0 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 11.6845 9.23267 7.81207 11.1 numMergedOcc 0
20 mol 142 unq 5 iso 0 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 10.7274 13.4776 7.18002 6.52253 numMergedOcc 0
21 mol 142 unq 6 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 5.90339 9.23267 7.81207 4.67662 numMergedOcc 0
22 mol 142 unq 7 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 15.501 13.4776 7.18002 13.5913 numMergedOcc 0
23 mol 142 unq 8 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 5.90339 9.23267 7.81207 5.81599 numMergedOcc 0
24 mol 142 unq 9 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 15.501 13.4776 7.18002 9.99555 numMergedOcc 0
25 mol 142 unq 10 iso 0 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 5.90339 9.23267 7.81207 11.1 numMergedOcc 0
26 mol 142 unq 11 iso 0 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 15.501 13.4776 7.18002 6.52253 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 13.5463 5.96451 9.29945 18.3573 14.8552 9.63417 11.0361 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 6.91906 4.112 7.46481 11.4955 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 6.91906 4.112 7.46481 8.459 numMergedOcc 0
30 mol 214 unq 2 iso 0 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 6.91906 4.112 7.46481 11.1534 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 8.7419 8.81265 6.00706 11.2674 15.1289 6.74196 8.84507 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 8.7419 8.81265 6.00706 10.656 13.6078 8.36842 6.02502 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 7.10689 5.01062 8.7347 8.7419 8.81265 6.00706 12.4834 13.6261 9.75472 5.18677 numMergedOcc 0
34 mol 222 unq 3 iso 0 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 11.2674 15.1289 6.74196 12.8595 numMergedOcc 0
35 mol 222 unq 4 iso 0 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 10.656 13.6078 8.36842 12.5866 numMergedOcc 0
36 mol 222 unq 5 iso 0 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 12.4834 13.6261 9.75472 11.9567 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 7.46044 13.1803 9.75313 10.6043 6.46679 6.61986 5.88041 3.56689 8.08349 5.13732 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 11.6723 12.65 8.79428 7.05804 numMergedOcc 0
39 mol 224 unq 2 iso 0 dist 7.7163 10.8463 9.79616 12.0295 9.36962 6.60589 11.6723 12.65 8.79428 5.76843 numMergedOcc 0
40 mol 224 unq 3 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 11.6723 9.56183 6.8692 7.05804 numMergedOcc 0
41 mol 224 unq 4 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 11.6723 9.56183 6.8692 5.76843 numMergedOcc 0
42 mol 224 unq 5 iso 0 dist 9.2 5.44863 9.29703 9.11052 6.38066 5.81334 11.6723 9.56183 6.8692 4.54188 numMergedOcc 0
43 mol 224 unq 6 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 16.5577 12.65 8.79428 7.05804 numMergedOcc 0
44 mol 224 unq 7 iso 0 dist 9.06201 13.0574 9.79616 15.8289 9.36962 6.60589 16.5577 12.65 8.79428 5.76843 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 14.3065 7.55268 8.53687 18.6568 9.90573 9.07743 6.73882 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 9.16791 12.4673 6.77279 13.8844 5.71237 8.13497 18.6568 9.90573 9.07743 8.8603 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 20.9679 12.7528 9.63573 7.20604 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.6568 9.90573 7.66153 8.8603 numMergedOcc 0
49 mol 259 unq 4 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 20.9679 12.7528 9.63573 5.05362 numMergedOcc 0
50 mol 259 unq 5 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 18.6568 9.90573 7.66153 5.8801 numMergedOcc 0
51 mol 259 unq 6 iso 0 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 20.9679 12.7528 9.63573 5.21606 numMergedOcc 0
52 mol 259 unq 7 iso 0 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 18.6568 9.90573 7.66153 11.8896 numMergedOcc 0
53 mol 259 unq 8 iso 0 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 20.9679 12.7528 9.63573 7.46841 numMergedOcc 0
54 mol 259 unq 9 iso 0 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.6568 9.90573 7.66153 5.81576 numMergedOcc 0
55 mol 276 unq 0 iso 0 dist 7.35537 9.58401 9.05218 12.5562 5.72513 9.8993 7.70127 5.58312 8.6759 9.39944 numMergedOcc 0
56 mol 276 unq 1 iso 0 dist 7.35537 9.58401 9.05218 13.4249 8.86096 6.87396 7.70127 5.58312 8.6759 8.26321 numMergedOcc 0
57 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 20.3589 13.2927 9.7748 14.0716 8.51268 9.35539 11.4555 numMergedOcc 0
58 mol 277 unq 1 iso 0 dist 9.42812 16.2915 6.90434 20.3589 13.2927 9.7748 22.0372 13.3706 8.9682 17.6038 numMergedOcc 0
59 mol 277 unq 2 iso 0 dist 9.42812 16.2915 6.90434 20.3589 13.2927 9.7748 21.1849 12.1739 6.92711 14.772 numMergedOcc 0
60 mol 280 unq 0 iso 0 dist 9.9227 5.80223 8.85762 8.80588 4.95798 6.0664 6.16546 7.42656 6.86234 4.90315 numMergedOcc 0
