0 mol 15 unq 0 iso 0 dist 5.72359 8.02297 9.97769 6.32451 8.60614 13.903 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.26048 9.48078 9.97769 5.37184 8.60614 13.903 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.78903 4.04765 6.54508 11.2286 5.78532 7.42417 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.78903 4.04765 6.54508 13.8528 8.49709 10.5851 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.83657 9.41242 8.94703 10.7321 9.98592 4.04757 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 5.22014 7.14863 6.36381 4.98286 4.44526 6.53276 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.22014 7.14863 6.36381 12.988 9.586 6.81998 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.74914 4.98987 8.94703 6.3045 9.98592 4.04757 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.84751 6.26406 9.22183 9.56649 9.96912 3.9882 numMergedOcc 0
9 mol 30 unq 0 iso 0 dist 9.16278 11.8764 5.61567 7.06531 6.00377 7.27795 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 9.67564 4.07703 5.61567 10.2236 6.00377 7.27795 numMergedOcc 0
11 mol 41 unq 0 iso 0 dist 6.64721 4.52842 4.47883 8.92159 6.21128 9.73623 numMergedOcc 0
12 mol 41 unq 1 iso 0 dist 6.64721 4.52842 4.47883 6.87608 9.57024 10.3598 numMergedOcc 0
13 mol 41 unq 2 iso 0 dist 6.64721 4.48292 6.07514 8.92159 6.21128 7.10946 numMergedOcc 0
14 mol 41 unq 3 iso 0 dist 6.64721 4.48292 6.07514 6.87608 9.57024 5.28774 numMergedOcc 0
15 mol 41 unq 4 iso 0 dist 9.36169 10.4783 4.47883 6.17678 6.21128 9.73623 numMergedOcc 0
16 mol 41 unq 5 iso 0 dist 9.36169 10.4783 4.47883 4.28783 9.57024 10.3598 numMergedOcc 0
17 mol 41 unq 6 iso 0 dist 9.36169 7.63639 6.07514 6.17678 6.21128 7.10946 numMergedOcc 0
18 mol 41 unq 7 iso 0 dist 9.36169 7.63639 6.07514 4.28783 9.57024 5.28774 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 6.22872 11.2167 9.762 3.99262 5.7684 7.25285 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 8.25047 4.35001 6.63973 12.1829 8.77077 13.5835 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 6.13521 12.0992 9.43496 5.60623 6.87506 15.7834 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.44426 9.91645 8.3505 14.3798 9.84703 11.9783 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 5.44426 9.91645 8.3505 9.0917 4.62494 7.43001 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 8.65429 12.341 5.33961 14.1628 9.25444 11.2155 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 8.65429 12.341 5.33961 16.4829 8.46823 9.96465 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 8.65429 12.5957 9.29816 14.1628 9.25444 18.3829 numMergedOcc 0
27 mol 98 unq 5 iso 0 dist 8.65429 12.5957 9.29816 16.4829 8.46823 13.7832 numMergedOcc 0
28 mol 98 unq 6 iso 0 dist 8.65429 4.74936 5.08983 14.1628 9.25444 9.51607 numMergedOcc 0
29 mol 98 unq 7 iso 0 dist 8.65429 4.74936 5.08983 16.4829 8.46823 12.5752 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 8.62413 4.04119 6.53559 6.02377 6.34626 4.92611 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 8.62413 10.1824 8.09774 6.02377 6.34626 6.15789 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 5.24228 10.2381 5.56446 4.46354 7.58337 12.541 numMergedOcc 0
33 mol 146 unq 0 iso 0 dist 9.48545 4.22688 8.43651 4.43511 9.23136 6.27901 numMergedOcc 0
34 mol 169 unq 0 iso 0 dist 8.66311 6.64754 8.54444 6.07908 6.05009 6.9276 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 8.28282 3.8834 6.52441 5.39899 6.88127 6.33168 numMergedOcc 0
36 mol 196 unq 0 iso 0 dist 4.48862 9.19308 8.76076 10.0025 8.48879 4.0207 numMergedOcc 0
37 mol 212 unq 0 iso 0 dist 5.10392 4.46198 5.03184 10.0809 9.10288 6.48939 numMergedOcc 0
38 mol 212 unq 1 iso 0 dist 5.10392 4.46198 5.03184 6.27773 6.19798 5.81626 numMergedOcc 0
39 mol 212 unq 2 iso 0 dist 5.10392 4.46198 5.03184 4.3827 7.24895 6.89781 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 7.05843 12.78 8.89714 5.91547 5.61969 13.9497 numMergedOcc 0
41 mol 273 unq 1 iso 0 dist 7.05843 12.78 8.89714 5.8152 9.0277 15.8207 numMergedOcc 0
