0 mol 11 unq 0 iso 0 dist 6.79478 4.13124 8.01262 13.0674 6.58046 13.3327 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 6.79478 13.0674 6.58046 4.13124 8.01262 13.3327 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.93344 13.0721 8.06267 10.6791 5.88334 3.20411 numMergedOcc 0
3 mol 68 unq 0 iso 1 dist 9.93344 10.6791 5.88334 13.0721 8.06267 3.20411 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.0614 8.33013 5.25027 9.53139 4.37025 5.30569 numMergedOcc 0
5 mol 79 unq 0 iso 1 dist 8.0614 9.53139 4.37025 8.33013 5.25027 5.30569 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 8.42147 10.3018 9.06601 4.88926 5.98809 8.72808 numMergedOcc 0
7 mol 111 unq 0 iso 1 dist 8.42147 4.88926 5.98809 10.3018 9.06601 8.72808 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 6.29026 6.14663 7.97548 5.32811 9.64164 5.83342 numMergedOcc 0
9 mol 129 unq 0 iso 1 dist 6.29026 5.32811 9.64164 6.14663 7.97548 5.83342 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.18866 6.99467 6.73617 4.53687 9.03544 3.6066 numMergedOcc 0
11 mol 147 unq 0 iso 1 dist 9.18866 4.53687 9.03544 6.99467 6.73617 3.6066 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 6.47339 6.52619 6.77156 9.94769 7.97894 5.53445 numMergedOcc 0
13 mol 198 unq 0 iso 1 dist 6.47339 9.94769 7.97894 6.52619 6.77156 5.53445 numMergedOcc 0
14 mol 198 unq 1 iso 0 dist 6.47339 6.52619 6.77156 8.48501 8.08471 10.4205 numMergedOcc 0
15 mol 198 unq 1 iso 1 dist 6.47339 8.48501 8.08471 6.52619 6.77156 10.4205 numMergedOcc 0
16 mol 198 unq 1 iso 0 dist 6.47339 9.94769 7.97894 8.48501 8.08471 8.69074 numMergedOcc 0
17 mol 198 unq 1 iso 1 dist 6.47339 8.48501 8.08471 9.94769 7.97894 8.69074 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 4.58599 10.5963 9.09354 5.36904 4.66576 11.4531 numMergedOcc 0
19 mol 213 unq 0 iso 1 dist 4.58599 5.36904 4.66576 10.5963 9.09354 11.4531 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 8.78568 13.711 9.09354 4.84414 4.66576 11.4531 numMergedOcc 0
21 mol 213 unq 1 iso 1 dist 8.78568 4.84414 4.66576 13.711 9.09354 11.4531 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 5.81927 4.87461 7.12221 9.93118 5.4557 8.40845 numMergedOcc 0
23 mol 258 unq 0 iso 1 dist 5.81927 9.93118 5.4557 4.87461 7.12221 8.40845 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.02749 12.2201 8.12739 12.2802 6.09853 5.57024 numMergedOcc 0
25 mol 274 unq 0 iso 1 dist 9.02749 12.2802 6.09853 12.2201 8.12739 5.57024 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.90434 11.5613 4.9764 13.0566 6.36559 3.41319 numMergedOcc 0
27 mol 277 unq 0 iso 1 dist 6.90434 13.0566 6.36559 11.5613 4.9764 3.41319 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 8.71213 3.97296 6.71946 11.6681 8.28061 9.00617 numMergedOcc 0
29 mol 285 unq 0 iso 1 dist 8.71213 11.6681 8.28061 3.97296 6.71946 9.00617 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 8.71213 3.97296 6.71946 10.6606 5.03601 7.33055 numMergedOcc 0
31 mol 285 unq 1 iso 1 dist 8.71213 10.6606 5.03601 3.97296 6.71946 7.33055 numMergedOcc 0
32 mol 285 unq 1 iso 0 dist 8.71213 11.6681 8.28061 10.6606 5.03601 4.55612 numMergedOcc 0
33 mol 285 unq 1 iso 1 dist 8.71213 10.6606 5.03601 11.6681 8.28061 4.55612 numMergedOcc 0
