0 mol 10 unq 0 iso 0 dist 8.44864 8.55472 5.66059 10.0703 7.8329 3.26546 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.45566 9.70501 5.81645 12.2887 6.53981 4.83794 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.38047 12.1383 9.20373 2.97898 5.27979 13.0814 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 6.94677 5.78327 5.67362 3.60431 9.83914 6.94617 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.75211 13.4991 9.61367 8.80874 9.32778 17.7534 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.7913 13.8441 6.48163 14.5986 6.89071 4.5216 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.4733 9.90172 8.05937 3.80816 6.21165 10.6622 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.90876 5.97401 8.30857 7.13766 6.12453 10.3305 numMergedOcc 0
8 mol 168 unq 1 iso 0 dist 8.90876 5.97401 8.30857 7.29489 9.87447 10.6619 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.42278 9.47052 9.92784 3.47137 4.9606 7.30777 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.66363 7.56512 9.99409 3.55808 9.20617 8.21964 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 5.97968 8.66681 9.99409 6.33098 9.20617 8.21964 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 8.50382 14.043 9.99409 12.4553 9.20617 8.21964 numMergedOcc 0
13 mol 181 unq 3 iso 0 dist 8.63119 5.49645 9.99409 8.9845 9.20617 8.21964 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.95598 11.2463 6.65725 9.10254 7.02762 6.53883 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 8.08939 8.71894 5.60146 15.1141 9.30179 7.17774 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 8.08939 8.71894 5.60146 3.62882 6.10489 5.2958 numMergedOcc 0
17 mol 244 unq 2 iso 0 dist 8.08939 8.71894 5.60146 7.8506 4.4204 7.02866 numMergedOcc 0
18 mol 244 unq 3 iso 0 dist 8.08939 5.36127 9.80249 15.1141 9.30179 17.7969 numMergedOcc 0
19 mol 244 unq 4 iso 0 dist 8.08939 5.36127 9.80249 3.62882 6.10489 7.64875 numMergedOcc 0
20 mol 244 unq 5 iso 0 dist 8.08939 5.36127 9.80249 7.8506 4.4204 11.5997 numMergedOcc 0
21 mol 244 unq 6 iso 0 dist 7.33574 8.52699 5.60146 12.1511 9.30179 7.17774 numMergedOcc 0
22 mol 244 unq 7 iso 0 dist 7.33574 8.52699 5.60146 5.2503 6.10489 5.2958 numMergedOcc 0
23 mol 244 unq 8 iso 0 dist 7.33574 8.52699 5.60146 3.66626 4.4204 7.02866 numMergedOcc 0
24 mol 244 unq 9 iso 0 dist 7.33574 11.2736 9.80249 12.1511 9.30179 17.7969 numMergedOcc 0
25 mol 244 unq 10 iso 0 dist 7.33574 11.2736 9.80249 5.2503 6.10489 7.64875 numMergedOcc 0
26 mol 244 unq 11 iso 0 dist 7.33574 11.2736 9.80249 3.66626 4.4204 11.5997 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 8.76332 15.3037 9.23037 9.4876 8.79261 12.0007 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 8.76332 15.3037 9.23037 11.4925 9.99125 15.0759 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.42076 9.43796 8.53802 9.03098 7.99204 14.2891 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.42076 9.43796 8.53802 9.03098 7.99204 14.2891 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.42076 9.43796 8.53802 9.03098 7.99204 14.2891 numMergedOcc 0
