0 mol 15 unq 0 iso 0 dist 5.20237 5.68079 5.04712 5.63041 8.92656 8.4014 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.65131 7.72372 6.66403 5.78908 10.0461 7.03372 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.73572 7.72372 8.97662 5.78908 12.7733 7.03372 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.39171 7.02693 8.69689 10.8067 11.7436 6.23522 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 5.39171 7.02693 8.69689 6.58444 11.905 9.10566 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 5.39171 7.02693 8.69689 15.7508 15.81 9.62027 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.27355 7.02693 8.0072 10.8067 9.68526 6.23522 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 9.27355 7.02693 8.0072 6.58444 14.8258 9.10566 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 9.27355 7.02693 8.0072 15.7508 12.0495 9.62027 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 8.60363 7.02693 9.61302 10.8067 9.72442 6.23522 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.60363 7.02693 9.61302 6.58444 14.0323 9.10566 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 8.60363 7.02693 9.61302 15.7508 13.4632 9.62027 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 7.25133 5.78493 4.32945 4.57807 7.11388 8.2777 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 7.07421 4.4077 6.14663 4.80675 6.29026 7.97548 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 7.07421 4.4077 6.14663 5.57362 10.5241 9.9291 numMergedOcc 0
15 mol 129 unq 2 iso 0 dist 7.07421 4.4077 6.14663 7.01358 11.4199 7.32151 numMergedOcc 0
16 mol 129 unq 3 iso 0 dist 7.07421 8.4874 5.32811 4.80675 6.29026 9.64164 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.07294 9.35049 3.75786 13.1243 8.84018 5.78814 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.64085 9.99012 5.64264 17.4764 13.7165 8.64905 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 5.59682 6.68265 4.19899 6.62991 8.89982 7.55934 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 7.71277 7.78842 4.19899 7.17016 8.89982 7.55934 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 8.6609 8.06007 12.9272 5.52686 13.3201 9.32259 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.21546 8.06007 7.97895 5.52686 11.3646 9.32259 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 6.03184 8.06007 9.57126 5.52686 9.57611 9.32259 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.39345 4.79423 6.35206 8.24478 11.46 5.90765 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 4.58291 7.94413 6.52619 4.81051 6.47339 6.77156 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 4.51269 5.73198 4.22218 7.20088 10.1373 9.4629 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 7.65323 5.73198 3.57449 7.20088 8.31638 9.4629 numMergedOcc 0
28 mol 251 unq 0 iso 0 dist 6.90276 6.06154 5.96294 6.33949 11.1504 8.45764 numMergedOcc 0
29 mol 251 unq 1 iso 0 dist 8.65339 8.15014 12.2726 7.54315 10.9087 8.45764 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 9.58767 9.31626 7.64377 8.62694 10.9877 5.77511 numMergedOcc 0
31 mol 253 unq 1 iso 0 dist 9.58767 9.31626 7.64377 14.0529 16.7853 9.27311 numMergedOcc 0
32 mol 253 unq 2 iso 0 dist 9.58767 9.77366 4.87368 8.62694 10.9877 7.81382 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.97411 5.94328 8.9947 4.6881 5.73296 8.03012 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 6.12202 8.67957 12.2201 7.23876 9.02749 8.12739 numMergedOcc 0
35 mol 285 unq 0 iso 0 dist 8.63954 6.07843 10.0892 5.93692 13.8061 6.71946 numMergedOcc 0
36 mol 285 unq 1 iso 0 dist 8.63954 9.66678 16.8309 5.93692 13.8061 5.03601 numMergedOcc 0
37 mol 285 unq 2 iso 0 dist 4.74716 6.07843 3.97296 5.93692 8.71213 6.71946 numMergedOcc 0
38 mol 285 unq 3 iso 0 dist 4.74716 9.66678 10.6606 5.93692 8.71213 5.03601 numMergedOcc 0
