0 mol 2 unq 0 iso 0 dist 9.76215 9.49821 12.0525 9.3761 17.6637 12.5084 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.7961 9.75898 15.9972 9.2958 5.37778 15.6844 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.73902 9.03899 4.0144 9.26518 3.76713 4.94258 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.00111 8.17621 3.87295 8.85675 6.93445 4.37072 numMergedOcc 0
4 mol 142 unq 0 iso 0 dist 7.99533 7.44118 4.58408 8.40522 9.848 11.0344 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 6.72426 8.95171 4.20708 8.08259 10.6947 10.785 numMergedOcc 0
6 mol 169 unq 0 iso 0 dist 8.11268 8.77324 14.4961 6.85177 7.16323 10.1931 numMergedOcc 0
7 mol 169 unq 1 iso 0 dist 8.11268 8.77324 14.4961 8.88729 11.9514 10.5136 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 9.42768 7.93501 5.60687 9.81999 3.56849 6.78421 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 9.42768 7.93501 5.60687 8.89489 4.86988 9.33063 numMergedOcc 0
10 mol 176 unq 2 iso 0 dist 8.12533 7.93501 4.94494 9.81999 6.84034 6.78421 numMergedOcc 0
11 mol 176 unq 3 iso 0 dist 8.12533 7.93501 4.94494 8.89489 6.25591 9.33063 numMergedOcc 0
12 mol 176 unq 4 iso 0 dist 7.0591 7.93501 8.07221 9.81999 7.30533 6.78421 numMergedOcc 0
13 mol 176 unq 5 iso 0 dist 7.0591 7.93501 8.07221 8.89489 3.47653 9.33063 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.22466 5.82681 7.99002 8.86574 12.7948 5.28021 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.31677 9.45587 4.31761 7.4717 13.2885 13.0829 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 5.66945 9.89398 8.94039 7.65636 8.48642 8.58146 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 7.46 8.88803 9.87568 8.90109 3.43711 13.0341 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 6.71406 8.88803 9.94594 8.90109 7.63469 13.0341 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 8.07113 7.43425 5.96176 8.55479 10.4014 4.80385 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.58667 4.66834 4.80425 7.05489 6.48624 8.54768 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.58667 8.90911 10.0416 7.05489 6.48624 6.81833 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 6.01542 4.66834 9.70521 7.05489 6.22898 8.54768 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 6.01542 8.90911 8.11496 7.05489 6.22898 6.81833 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 8.35178 6.99084 4.03583 8.27196 9.94473 9.67218 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 8.35178 5.1936 5.24841 8.27196 9.94473 5.1451 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 8.35178 6.99084 4.03583 8.27196 9.94473 9.67218 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 8.35178 5.1936 5.24841 8.27196 9.94473 5.1451 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.35178 6.99084 4.03583 8.27196 9.94473 9.67218 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 8.35178 5.1936 5.24841 8.27196 9.94473 5.1451 numMergedOcc 0
