0 mol 5 unq 0 iso 0 dist 5.18743 5.0634 7.56866 6.46777 8.68577 6.62108 12.2041 10.4477 13.7673 8.87945 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.14086 4.81564 5.42412 6.82151 8.53424 9.64948 13.6465 16.4255 15.209 9.2146 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.76158 6.18197 5.42412 4.3475 8.53424 9.64948 9.77719 16.4255 15.209 9.2146 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 6.31487 4.81564 8.09862 6.82151 7.08766 9.64948 13.6465 16.0765 15.209 9.2146 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 6.31487 12.7577 8.97167 6.82151 7.08766 10.1805 13.6465 16.0765 18.206 9.2146 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 7.423 6.18197 8.09862 4.3475 7.08766 9.64948 9.77719 16.0765 15.209 9.2146 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 7.423 13.6562 8.97167 4.3475 7.08766 10.1805 9.77719 16.0765 18.206 9.2146 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 7.07851 4.81564 8.89114 6.82151 4.82199 9.64948 13.6465 13.6412 15.209 9.2146 numMergedOcc 0
8 mol 28 unq 7 iso 0 dist 7.07851 12.7577 8.8182 6.82151 4.82199 10.1805 13.6465 13.6412 18.206 9.2146 numMergedOcc 0
9 mol 28 unq 8 iso 0 dist 5.89257 6.18197 8.89114 4.3475 4.82199 9.64948 9.77719 13.6412 15.209 9.2146 numMergedOcc 0
10 mol 28 unq 9 iso 0 dist 5.89257 13.6562 8.8182 4.3475 4.82199 10.1805 9.77719 13.6412 18.206 9.2146 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 5.23167 4.29159 7.01397 3.89181 4.46067 7.90686 10.5789 5.98227 12.077 8.93807 numMergedOcc 0
12 mol 62 unq 1 iso 0 dist 7.47607 7.59441 7.01397 5.72955 4.46067 7.90686 10.3662 5.98227 12.077 8.93807 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.26805 4.77004 9.50939 6.27527 7.66068 8.58474 14.8387 9.50354 16.1719 9.57759 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 7.30934 9.63545 7.01987 4.3421 5.24346 6.65219 7.15918 5.4118 12.0429 7.62463 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 5.24882 5.57673 6.38786 6.03327 4.3855 3.66518 10.8829 5.94217 9.78214 6.60366 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 8.47439 7.36888 5.52214 4.18108 5.28353 3.60864 8.65328 10.919 8.18217 7.0961 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 8.47439 7.36888 5.52214 4.18108 5.28353 3.60864 11.2284 6.91388 5.51167 8.21227 numMergedOcc 0
18 mol 168 unq 2 iso 0 dist 8.47439 7.36888 5.52214 4.18108 5.28353 3.60864 5.69346 6.65321 9.35431 6.53038 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.18165 12.2667 6.27378 6.5732 5.10589 10.1931 5.87263 3.18152 7.06772 7.65903 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.18165 12.2667 6.27378 4.14139 4.63336 10.5136 5.87263 3.18152 7.06772 5.97653 numMergedOcc 0
21 mol 169 unq 2 iso 0 dist 6.18165 12.2667 6.27378 7.73206 6.10715 10.212 5.87263 3.18152 7.06772 7.75523 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 6.18239 9.31156 9.80204 3.52029 7.83056 9.54951 6.05978 3.52598 11.2633 6.31365 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 6.9943 4.80695 9.90506 4.58167 6.96692 4.39553 6.61768 3.68488 9.51145 8.20376 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 6.9943 4.47412 9.03341 4.58167 6.96692 3.94797 6.61768 3.68488 10.1964 8.20376 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 7.36685 8.13583 6.39822 7.98379 7.8598 10.1418 6.61768 3.14784 8.9221 7.72861 numMergedOcc 0
26 mol 266 unq 3 iso 0 dist 7.36685 8.13583 6.39822 4.58167 8.25286 7.63149 6.61768 3.14784 8.9221 8.20376 numMergedOcc 0
27 mol 266 unq 4 iso 0 dist 7.36685 4.80695 8.61077 7.98379 7.8598 10.3155 6.61768 3.14784 9.51145 7.72861 numMergedOcc 0
28 mol 266 unq 5 iso 0 dist 7.36685 4.80695 8.61077 4.58167 8.25286 4.39553 6.61768 3.14784 9.51145 8.20376 numMergedOcc 0
29 mol 266 unq 6 iso 0 dist 9.20906 10.2082 5.36518 10.0526 7.80711 10.1418 14.2324 5.95721 8.9221 7.72861 numMergedOcc 0
30 mol 266 unq 7 iso 0 dist 9.20906 10.2082 5.36518 16.8584 9.9965 7.63149 14.2324 5.95721 8.9221 8.20376 numMergedOcc 0
31 mol 266 unq 8 iso 0 dist 9.20906 13.6949 9.11585 10.0526 7.80711 10.3155 14.2324 5.95721 9.51145 7.72861 numMergedOcc 0
32 mol 266 unq 9 iso 0 dist 9.20906 13.6949 9.11585 16.8584 9.9965 4.39553 14.2324 5.95721 9.51145 8.20376 numMergedOcc 0
33 mol 266 unq 10 iso 0 dist 9.03099 8.13583 5.36518 7.98379 7.80711 10.1418 6.61768 5.95721 8.9221 7.72861 numMergedOcc 0
34 mol 266 unq 11 iso 0 dist 9.03099 8.13583 5.36518 4.58167 9.9965 7.63149 6.61768 5.95721 8.9221 8.20376 numMergedOcc 0
35 mol 266 unq 12 iso 0 dist 9.03099 4.80695 9.11585 7.98379 7.80711 10.3155 6.61768 5.95721 9.51145 7.72861 numMergedOcc 0
36 mol 266 unq 13 iso 0 dist 9.03099 4.80695 9.11585 4.58167 9.9965 4.39553 6.61768 5.95721 9.51145 8.20376 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 7.34927 4.00063 9.07744 9.69757 7.98956 9.21484 8.20902 10.5214 6.42951 5.13533 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 7.34927 13.5537 8.42892 9.69757 7.98956 7.73174 8.20902 10.5214 11.5117 5.13533 numMergedOcc 0
39 mol 277 unq 2 iso 0 dist 7.34927 12.5125 8.90967 9.69757 7.98956 16.883 8.20902 10.5214 18.819 5.13533 numMergedOcc 0
40 mol 277 unq 3 iso 0 dist 7.54315 9.31316 9.07744 7.55695 7.98956 9.21484 9.55813 10.5214 6.42951 5.13533 numMergedOcc 0
41 mol 277 unq 4 iso 0 dist 7.54315 4.15308 8.42892 7.55695 7.98956 7.73174 9.55813 10.5214 11.5117 5.13533 numMergedOcc 0
42 mol 277 unq 5 iso 0 dist 7.54315 14.7276 8.90967 7.55695 7.98956 16.883 9.55813 10.5214 18.819 5.13533 numMergedOcc 0
