0 mol 12 unq 0 iso 0 dist 8.8993 9.41745 6.7002 10.052 5.76006 11.2497 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.61203 6.27528 6.77896 13.473 8.85511 13.7788 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.32172 7.80757 9.0996 11.278 6.22956 10.1256 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.32172 7.80757 9.0996 12.5143 9.51587 14.0628 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.32172 5.5849 6.50212 11.278 6.22956 11.1671 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.32172 5.5849 6.50212 12.5143 9.51587 13.9033 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 8.93486 8.75605 6.50212 9.46526 6.22956 11.1671 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 8.93486 8.75605 6.50212 8.49857 9.51587 13.9033 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 5.23177 7.47827 5.55005 7.64275 9.18431 10.1937 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 6.77052 7.47827 9.57561 14.4549 9.77304 19.1264 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.74224 6.59361 4.65767 6.82715 7.1891 5.25492 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 5.33139 6.59361 5.33778 6.82715 7.67702 5.25492 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 3.71857 7.97262 6.42756 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 7.65424 9.75558 10.28 3.71857 7.97262 10.8958 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 6.71654 4.93035 4.37081 3.71857 5.82588 6.42756 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 6.71654 9.75558 6.23566 3.71857 5.82588 10.8958 numMergedOcc 0
16 mol 160 unq 0 iso 0 dist 5.83519 9.20228 5.60641 4.29308 8.54789 11.0452 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 7.21836 6.60651 12.7415 11.749 6.51568 17.4566 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.24101 7.2527 10.2134 4.55701 6.86905 11.1188 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.24101 7.13194 5.88384 4.55701 6.86905 5.56719 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 8.84212 6.93507 5.0425 6.06312 8.9281 5.78121 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.06312 8.9281 7.29898 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 6.81636 9.22576 9.91979 5.44878 4.28058 12.0651 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 6.81636 9.22576 9.91979 5.44878 4.28058 12.0651 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 6.81636 9.22576 9.91979 5.44878 4.28058 12.0651 numMergedOcc 0
