0 mol 0 unq 0 iso 0 dist 9.8442 12.0056 7.46173 15.8263 6.50942 7.65806 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.63314 5.2549 7.47201 11.9393 9.49511 8.34347 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.62547 11.4833 7.56581 10.0332 8.17454 9.5589 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 9.62547 12.9695 9.22021 10.0332 8.17454 6.83299 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.08299 13.2906 9.30021 15.5761 10.4545 7.97049 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.08299 13.2906 9.30021 16.2043 12.3178 6.19965 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 6.08299 8.72921 5.62635 15.5761 10.4545 7.47541 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 6.08299 8.72921 5.62635 16.2043 12.3178 7.66905 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 6.08299 8.72921 5.62635 11.2403 7.43006 5.73196 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 7.1329 7.96311 8.2236 13.9305 10.0324 9.84395 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 7.1329 7.96311 8.2236 13.8533 11.1062 7.90328 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 5.72019 4.91992 5.08591 11.3307 8.19969 9.0018 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 5.72019 4.91992 5.08591 10.6356 5.33769 7.652 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 5.72019 7.91395 8.03727 11.3307 8.19969 5.6234 numMergedOcc 0
14 mol 175 unq 3 iso 0 dist 5.72019 7.91395 8.03727 10.6356 5.33769 9.92231 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 6.10606 10.5681 7.12045 8.04723 6.39077 7.17202 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 6.10606 9.1499 8.94945 8.04723 6.39077 8.81551 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 9.35132 14.8922 8.02386 15.5751 8.98864 8.56633 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 6.28191 9.48802 5.52084 13.9224 9.81596 7.7366 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 6.03201 11.4665 5.45139 8.82778 4.86449 6.16342 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 9.44259 6.42334 9.12664 7.40475 5.41499 7.21521 numMergedOcc 0
21 mol 248 unq 1 iso 0 dist 9.44259 6.86606 6.51383 7.40475 5.41499 8.2965 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 9.67921 16.2122 9.72168 21.1849 12.0476 8.29103 numMergedOcc 0
