0 mol 1 unq 0 iso 0 dist 6.41817 7.42008 9.76602 7.49891 7.83632 9.84669 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 7.4036 8.41256 9.25493 11.6972 6.96422 10.3414 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.89222 11.4929 9.27369 14.0527 7.3022 10.1809 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.53735 12.1626 8.99751 5.19563 7.22361 10.7581 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.53735 12.1626 8.99751 14.2716 6.15893 6.77783 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.53735 14.2372 9.30674 5.19563 7.22361 11.3546 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 9.53735 14.2372 9.30674 14.2716 6.15893 5.24037 numMergedOcc 0
7 mol 26 unq 5 iso 0 dist 9.53735 14.8605 8.25567 5.19563 7.22361 10.6733 numMergedOcc 0
8 mol 26 unq 6 iso 0 dist 9.53735 14.8605 8.25567 14.2716 6.15893 4.82659 numMergedOcc 0
9 mol 26 unq 7 iso 0 dist 9.34599 7.53125 8.99751 14.7857 7.22361 10.7581 numMergedOcc 0
10 mol 26 unq 8 iso 0 dist 9.34599 7.53125 8.99751 7.23962 6.15893 6.77783 numMergedOcc 0
11 mol 26 unq 9 iso 0 dist 9.34599 9.31749 9.30674 14.7857 7.22361 11.3546 numMergedOcc 0
12 mol 26 unq 10 iso 0 dist 9.34599 9.31749 9.30674 7.23962 6.15893 5.24037 numMergedOcc 0
13 mol 26 unq 11 iso 0 dist 9.34599 11.7685 8.25567 14.7857 7.22361 10.6733 numMergedOcc 0
14 mol 26 unq 12 iso 0 dist 9.34599 11.7685 8.25567 7.23962 6.15893 4.82659 numMergedOcc 0
15 mol 26 unq 13 iso 0 dist 6.32127 7.53125 9.44507 7.23962 5.497 6.77783 numMergedOcc 0
16 mol 27 unq 0 iso 0 dist 5.80623 5.21735 5.66743 10.1283 7.60283 11.6846 numMergedOcc 0
17 mol 27 unq 1 iso 0 dist 5.80623 4.66619 7.42669 10.1283 7.60283 8.05284 numMergedOcc 0
18 mol 27 unq 2 iso 0 dist 7.24775 12.4614 5.66743 3.71754 7.60283 11.6846 numMergedOcc 0
19 mol 27 unq 3 iso 0 dist 7.24775 10.6589 7.42669 3.71754 7.60283 8.05284 numMergedOcc 0
20 mol 54 unq 0 iso 0 dist 5.0478 8.88887 4.38047 5.59128 6.30987 8.98505 numMergedOcc 0
21 mol 56 unq 0 iso 0 dist 7.52378 8.48311 8.85981 6.48665 5.84875 4.62903 numMergedOcc 0
22 mol 61 unq 0 iso 0 dist 5.39827 7.90807 6.94677 6.35361 7.46994 7.43727 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 7.43804 6.39965 5.94696 11.1769 6.0129 9.47873 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 8.22984 14.6602 9.16592 12.1174 7.09065 7.62048 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 6.6157 10.6262 9.16592 7.39527 7.09065 7.62048 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 7.37771 6.15808 9.16592 5.22124 7.09065 7.62048 numMergedOcc 0
27 mol 116 unq 0 iso 0 dist 7.85045 12.6384 7.6005 4.98814 7.35992 8.76048 numMergedOcc 0
28 mol 116 unq 1 iso 0 dist 7.85045 12.6384 7.6005 9.53721 6.49383 5.79458 numMergedOcc 0
29 mol 116 unq 2 iso 0 dist 7.85045 14.5749 8.7583 4.98814 7.35992 11.4263 numMergedOcc 0
30 mol 116 unq 3 iso 0 dist 7.85045 14.5749 8.7583 9.53721 6.49383 9.91115 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 7.93807 10.33 9.14629 6.77802 7.80054 4.0737 numMergedOcc 0
32 mol 188 unq 0 iso 0 dist 6.1338 7.76882 9.37017 7.47532 9.33696 14.7966 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 7.06589 4.58695 9.69704 10.6548 9.58354 8.75798 numMergedOcc 0
34 mol 253 unq 1 iso 0 dist 8.70383 11.088 9.69704 3.494 9.58354 8.75798 numMergedOcc 0
35 mol 278 unq 0 iso 0 dist 5.79682 6.9408 9.21145 9.91475 7.48235 10.3447 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 9.52718 7.88871 7.76945 9.81184 5.59555 4.26276 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 9.52718 7.88871 7.76945 9.81184 5.59555 4.26276 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 9.52718 7.88871 7.76945 9.81184 5.59555 4.26276 numMergedOcc 0
