0 mol 8 unq 0 iso 0 dist 6.4754 9.29223 6.57999 7.06064 9.62879 7.35767 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.57999 9.29223 6.4754 7.35767 9.62879 7.06064 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.39243 5.79834 9.1715 15.2831 9.51761 17.8306 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 9.1715 5.79834 6.39243 17.8306 9.51761 15.2831 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 6.39243 5.79834 9.1715 9.30561 7.3094 14.3582 numMergedOcc 0
5 mol 18 unq 1 iso 1 dist 9.1715 5.79834 6.39243 14.3582 7.3094 9.30561 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 5.26018 11.854 7.1203 12.8491 9.80098 5.92851 numMergedOcc 0
7 mol 52 unq 0 iso 1 dist 7.1203 11.854 5.26018 5.92851 9.80098 12.8491 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 5.26018 11.854 7.1203 10.3287 7.34143 6.03647 numMergedOcc 0
9 mol 52 unq 1 iso 1 dist 7.1203 11.854 5.26018 6.03647 7.34143 10.3287 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.16299 12.5626 8.27015 10.3774 8.70481 12.6626 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 8.27015 12.5626 8.16299 12.6626 8.70481 10.3774 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 5.57265 8.20748 7.05258 5.58109 7.9245 5.3454 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 7.05258 8.20748 5.57265 5.3454 7.9245 5.58109 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 8.44515 11.256 9.41382 6.1985 5.83409 6.45992 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 9.41382 11.256 8.44515 6.45992 5.83409 6.1985 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 8.92577 13.5124 9.56324 6.89293 6.45675 15.1093 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 9.56324 13.5124 8.92577 15.1093 6.45675 6.89293 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.92577 13.5124 9.56324 12.0555 7.47343 16.8752 numMergedOcc 0
19 mol 100 unq 1 iso 1 dist 9.56324 13.5124 8.92577 16.8752 7.47343 12.0555 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 8.92577 13.5124 9.56324 12.7188 8.86688 13.0353 numMergedOcc 0
21 mol 100 unq 2 iso 1 dist 9.56324 13.5124 8.92577 13.0353 8.86688 12.7188 numMergedOcc 0
22 mol 209 unq 0 iso 0 dist 6.14896 5.1282 9.12289 9.80484 7.56373 11.2544 numMergedOcc 0
23 mol 209 unq 0 iso 1 dist 9.12289 5.1282 6.14896 11.2544 7.56373 9.80484 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 9.73411 11.3946 7.07564 14.1073 8.95269 11.8217 numMergedOcc 0
25 mol 224 unq 0 iso 1 dist 7.07564 11.3946 9.73411 11.8217 8.95269 14.1073 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 9.73411 11.3946 7.07564 9.81806 6.57273 10.8463 numMergedOcc 0
27 mol 224 unq 1 iso 1 dist 7.07564 11.3946 9.73411 10.8463 6.57273 9.81806 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 9.73411 11.3946 7.07564 5.99647 5.78342 5.44863 numMergedOcc 0
29 mol 224 unq 2 iso 1 dist 7.07564 11.3946 9.73411 5.44863 5.78342 5.99647 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 7.75485 11.3946 9.11052 5.99647 5.81334 5.44863 numMergedOcc 0
31 mol 224 unq 3 iso 1 dist 9.11052 11.3946 7.75485 5.44863 5.81334 5.99647 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 4.87108 5.75835 6.54455 7.45873 6.22714 5.17954 numMergedOcc 0
33 mol 238 unq 0 iso 1 dist 6.54455 5.75835 4.87108 5.17954 6.22714 7.45873 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 7.26981 8.32345 9.02643 9.23512 7.32223 12.3948 numMergedOcc 0
35 mol 253 unq 0 iso 1 dist 9.02643 8.32345 7.26981 12.3948 7.32223 9.23512 numMergedOcc 0
36 mol 253 unq 1 iso 0 dist 7.26981 8.32345 9.02643 10.8952 8.31064 8.25257 numMergedOcc 0
37 mol 253 unq 1 iso 1 dist 9.02643 8.32345 7.26981 8.25257 8.31064 10.8952 numMergedOcc 0
