0 mol 9 unq 0 iso 0 dist 9.8978 10.4202 7.35972 13.9999 13.7528 6.59455 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.26276 6.29049 7.35972 11.4854 13.7528 6.59455 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 8.44864 5.94361 5.59965 13.3242 7.99067 8.00369 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.44507 14.288 6.56527 14.0176 5.45023 6.74848 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.17217 4.29919 6.56527 9.46609 5.66783 9.5053 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.62309 4.1125 6.77241 8.95651 8.0763 9.05259 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.11127 9.3668 5.50508 16.0886 12.2082 9.05259 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 6.37888 4.00884 5.50508 12.9751 12.2082 9.05259 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 7.11438 4.1125 5.50508 8.95651 12.2082 9.05259 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 6.09626 6.43704 7.80873 12.1814 7.22444 9.77017 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 7.48533 3.88006 8.42878 11.0912 10.5177 9.35942 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 7.48533 3.88006 8.42878 5.82501 8.66057 7.42482 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.75431 4.09788 7.20249 11.5129 4.99495 9.9151 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.56565 5.21047 6.84835 9.19335 5.61022 7.82544 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.56565 5.21047 6.84835 8.5076 5.71483 6.18808 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.21194 4.47323 5.25109 11.5813 9.54524 7.32555 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.07527 10.0344 7.22883 13.2961 8.30281 7.11785 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.32097 6.5238 9.73541 5.31079 3.95218 6.51288 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 9.79381 9.51443 8.37739 14.9604 8.98957 9.23935 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 9.79381 9.52516 9.47237 14.9604 8.98957 7.77552 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 8.37379 11.2979 8.37739 14.5569 8.98957 9.23935 numMergedOcc 0
21 mol 225 unq 3 iso 0 dist 8.37379 11.0488 9.47237 14.5569 8.98957 7.77552 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 9.41148 6.36084 9.78181 10.1474 7.86594 6.57921 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 7.83422 6.36084 9.8664 10.1474 13.8622 6.57921 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 8.42502 3.96327 8.10254 12.7761 9.25593 9.54499 numMergedOcc 0
25 mol 237 unq 1 iso 0 dist 8.42502 3.96327 8.10254 8.06435 6.26206 5.6703 numMergedOcc 0
26 mol 247 unq 0 iso 0 dist 6.18065 10.7268 8.45756 10.2233 12.4425 9.84493 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.11072 5.15747 6.88827 10.0577 5.36428 8.2997 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 6.83113 5.15747 9.16942 10.0577 14.986 8.2997 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 9.44134 6.70266 7.75216 7.71972 5.57372 7.79704 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 9.44134 6.70266 7.75216 9.76049 12.4711 9.39276 numMergedOcc 0
31 mol 274 unq 4 iso 0 dist 9.02071 4.36131 6.88827 7.65671 5.36428 8.2997 numMergedOcc 0
