0 mol 7 unq 0 iso 0 dist 9.96415 14.6751 9.67164 12.0214 8.0744 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.96415 7.15287 5.99459 12.0214 8.0744 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.96415 7.15287 5.99459 11.7931 11.7002 8.80762 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.14598 9.20254 7.95042 4.61828 4.47891 6.60423 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.0979 10.1001 6.66407 13.7688 4.69849 8.44903 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.25594 15.6547 9.03564 17.7612 10.5332 6.77886 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.69222 6.97502 6.45841 9.94595 6.69436 5.16364 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.82056 4.30874 5.5087 9.94595 5.50891 8.85586 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.82056 4.30874 5.5087 10.8649 7.50869 7.11 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 5.82056 6.97502 5.61588 9.94595 5.50891 5.16364 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 9.09115 4.30874 6.08682 9.94595 4.75954 8.85586 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.09115 4.30874 6.08682 10.8649 3.6807 7.11 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 9.09115 6.97502 7.83244 9.94595 4.75954 5.16364 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.71342 6.29782 5.58833 14.1322 7.06894 8.03372 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 8.57774 5.99695 5.58833 10.5849 7.06894 8.03372 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 9.67398 7.09664 6.93139 4.85559 6.76477 8.33077 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 7.15213 7.49673 6.93139 10.3335 6.76477 8.33077 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 9.70788 10.1013 7.36975 17.0851 9.05786 8.41611 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 9.70788 10.1013 7.36975 11.9348 3.75378 7.63338 numMergedOcc 0
19 mol 143 unq 2 iso 0 dist 9.70788 10.1013 7.36975 17.2248 14.0356 9.03707 numMergedOcc 0
20 mol 143 unq 3 iso 0 dist 9.70788 10.1013 7.36975 12.6044 9.30534 7.25673 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 9.17216 6.62991 6.59889 12.5941 4.71678 9.77552 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 9.17216 13.4463 6.70693 12.5941 4.71678 8.28642 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 9.40483 7.17016 6.59889 9.19078 4.71678 9.77552 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 9.40483 11.3742 6.70693 9.19078 4.71678 8.28642 numMergedOcc 0
25 mol 152 unq 4 iso 0 dist 9.44172 6.62991 8.9192 12.5941 7.11377 9.77552 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.27578 9.09826 7.05695 12.7948 8.1007 6.72641 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 8.25953 6.51869 7.05695 12.4707 8.1007 6.72641 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 6.49577 8.24478 8.73533 12.4674 9.40383 7.24795 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 9.76574 10.0248 8.73533 4.97005 9.40383 7.24795 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 8.25288 8.99603 8.63693 9.05206 6.75621 7.63018 numMergedOcc 0
31 mol 223 unq 0 iso 0 dist 7.27963 10.6103 6.42257 10.2511 4.40141 6.13306 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.94981 6.89798 6.50998 8.768 6.35462 6.6561 numMergedOcc 0
33 mol 225 unq 1 iso 0 dist 5.90986 6.89798 9.09424 8.768 5.94765 6.6561 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 7.50697 6.89798 8.14831 8.768 11.2847 6.6561 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 9.67281 11.2453 9.72188 13.1395 13.0611 7.32982 numMergedOcc 0
36 mol 257 unq 0 iso 0 dist 8.27649 10.8918 7.81897 12.579 5.96144 9.69696 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 8.40328 6.18571 5.85442 14.0925 7.32929 8.55558 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 8.40328 12.3834 6.9899 14.0925 7.32929 8.59697 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 8.2518 6.18571 6.95511 14.0925 9.55426 8.55558 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 9.91103 16.3552 9.57499 18.2939 14.6871 6.57903 numMergedOcc 0
41 mol 285 unq 0 iso 0 dist 6.24134 9.237 7.80862 12.4414 8.05127 5.31728 numMergedOcc 0
