0 mol 10 unq 0 iso 0 dist 9.31452 8.44864 5.16967 3.5691 8.98746 9.85732 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 8.99751 10.4631 8.44515 8.10028 15.3948 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.62527 9.44507 12.1978 3.30063 8.36742 9.11311 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.62527 9.44507 12.1978 8.44515 8.10028 15.3903 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.86877 9.42728 7.21306 3.44412 9.5645 12.0019 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.86877 7.93341 4.88983 3.44412 9.5645 10.1056 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 8.34361 4.38047 5.01159 2.97898 9.63616 5.27979 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 7.49861 6.23138 6.11938 4.24381 9.05343 9.68314 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 6.2165 6.23138 4.43442 4.24381 7.71528 9.68314 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.88704 5.91009 5.97632 3.71967 9.98298 9.51787 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 7.88704 5.91009 5.97632 6.15397 7.55036 9.99996 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 7.88704 5.91009 5.97632 13.8225 8.32248 13.5262 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 5.4421 9.73165 6.14352 4.06971 9.05228 12.422 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.55531 8.41411 10.5027 3.78499 5.85622 7.55367 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.53875 7.6793 12.6641 12.4943 7.43045 16.7237 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 8.53875 7.6793 12.6641 6 7.74168 6.75593 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 8.53875 7.6793 12.6641 8.90391 8.16507 8.83562 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.51041 7.42278 7.35345 3.47137 7.10869 4.9606 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.08655 8.03512 8.39273 3.48476 9.66898 10.9961 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.21479 9.41148 13.3182 9.5606 4.76819 15.4302 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 8.21479 7.83422 8.15893 9.5606 4.76819 9.83281 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 6.23198 5.68717 6.93843 3.43711 4.20369 6.12343 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 6.23198 5.68717 6.93843 5.84323 6.4165 9.62716 numMergedOcc 0
