0 mol 10 unq 0 iso 0 dist 9.31452 8.44864 5.16967 10.0703 12.7643 7.8329 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62527 8.99751 10.4631 3.30063 8.36742 9.82851 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.62527 9.44507 12.1978 3.30063 8.36742 9.11311 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.34361 4.38047 5.01159 2.97898 9.63616 5.27979 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 9.39738 6.66861 5.99401 6.77823 12.1407 6.76315 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 9.9421 6.72084 5.99401 8.80267 12.1407 6.76315 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.96175 8.17655 12.4018 8.65738 13.6524 6.2576 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.96175 6.47416 5.71329 8.65738 13.6524 8.96069 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.28161 6.37888 4.76916 6.87448 11.8963 8.4219 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 4.98783 7.11438 4.76916 12.6706 11.8963 8.4219 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.55124 7.4518 11.6667 14.6061 16.5949 7.83506 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 7.55531 8.41411 10.5027 3.78499 5.85622 7.55367 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.15172 5.37302 11.6513 3.77247 12.8787 5.35711 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 9.15172 5.37302 11.6513 7.1034 12.8261 6.23759 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.06644 5.49198 5.90151 3.78601 10.8291 8.31198 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.06644 8.7311 5.75197 3.78601 10.8291 9.81349 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.53875 7.6793 12.6641 7.06015 13.5129 6.90583 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 8.53875 7.6793 12.6641 6 7.74168 6.75593 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 8.53875 7.6793 12.6641 8.90391 8.16507 8.83562 numMergedOcc 0
19 mol 160 unq 0 iso 0 dist 8.69583 8.50897 4.84936 8.32089 12.274 9.19735 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.51041 7.42278 7.35345 3.47137 7.10869 4.9606 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.99964 5.97968 7.23046 6.33098 14.9183 9.20617 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 6.93144 8.50382 7.23046 12.4553 14.9183 9.20617 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.11437 9.69704 5.01342 7.8581 10.1155 9.82605 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 8.11437 9.69704 5.01342 8.46732 11.8055 9.73723 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.41167 8.63176 9.76914 10.3385 13.773 9.36974 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 6.23198 5.68717 6.93843 3.48905 9.42473 6.49413 numMergedOcc 0
27 mol 260 unq 1 iso 0 dist 6.23198 5.68717 6.93843 3.43711 4.20369 6.12343 numMergedOcc 0
28 mol 260 unq 2 iso 0 dist 6.23198 5.68717 6.93843 8.84611 10.4508 4.52405 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 5.75335 6.38341 5.63899 10.2963 14.1056 9.81919 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 8.76527 6.38341 11.3048 10.2963 18.626 9.81919 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.86767 6.60049 6.28133 3.80161 11.0662 9.373 numMergedOcc 0
