0 mol 28 unq 0 iso 0 dist 5.32719 11.6018 7.40415 6.77926 8.75468 10.4406 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 11.6018 7.40415 3.85555 7.62989 12.0524 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.32719 11.6018 7.40415 7.50035 5.70238 10.0581 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.03702 12.7227 7.40415 9.63176 8.75468 10.4406 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.03702 12.7227 7.40415 5.94896 7.62989 12.0524 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 7.03702 12.7227 7.40415 3.92369 5.70238 10.0581 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.39494 13.4867 7.62738 3.95066 8.59337 12.1293 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.39494 13.4867 7.62738 6.09246 7.66942 15.0139 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.27584 15.4112 8.70863 4.21164 5.72961 11.5785 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.40964 5.04277 8.57827 4.51052 7.87729 4.15826 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 6.40964 6.77665 7.94453 4.51052 7.87729 10.1482 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.16531 14.4018 7.62611 11.064 6.46217 6.4154 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.98593 7.04959 7.62611 4.45993 6.46217 6.4154 numMergedOcc 0
13 mol 105 unq 0 iso 0 dist 8.66946 8.62526 7.71923 3.86635 9.09664 5.8332 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 8.66946 9.71724 9.87821 3.86635 9.09664 6.30722 numMergedOcc 0
15 mol 105 unq 2 iso 0 dist 8.66946 11.7138 7.09806 3.86635 9.09664 9.73765 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.71813 6.12935 6.76575 4.37072 9.67274 4.8632 numMergedOcc 0
17 mol 151 unq 0 iso 0 dist 7.28671 6.59209 4.74531 10.7097 9.06016 11.8889 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 6.64084 4.57581 6.76055 12.7673 8.06621 9.64397 numMergedOcc 0
19 mol 158 unq 1 iso 0 dist 6.64084 11.2833 9.36343 12.7673 8.06621 5.16839 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 8.6792 10.301 7.14263 7.05221 9.56342 6.17752 numMergedOcc 0
21 mol 162 unq 1 iso 0 dist 8.6792 4.05981 8.57005 7.05221 9.56342 8.7961 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.02096 8.56805 8.05247 3.92978 7.6741 10.297 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 9.02096 11.8728 9.71028 3.92978 7.6741 11.8094 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 7.95201 4.93748 5.45675 5.28021 8.46395 5.39534 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 8.16906 4.78938 5.45675 3.87593 8.46395 5.39534 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 5.6524 4.36112 5.57779 7.85817 8.83523 5.88175 numMergedOcc 0
27 mol 210 unq 1 iso 0 dist 5.6524 10.7545 7.05649 7.85817 8.83523 9.89707 numMergedOcc 0
28 mol 210 unq 2 iso 0 dist 5.6524 10.4519 6.78579 7.85817 8.83523 13.4242 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 5.8679 10.6737 9.32945 10.7878 6.62738 7.3057 numMergedOcc 0
30 mol 218 unq 1 iso 0 dist 5.8679 10.6737 9.32945 9.19561 7.13254 10.5867 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 7.14271 4.33033 6.51288 5.48263 5.37154 5.32823 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 7.4083 9.70769 6.51288 10.9213 5.37154 5.32823 numMergedOcc 0
33 mol 220 unq 2 iso 0 dist 8.24411 8.47293 6.51288 7.63905 5.37154 5.32823 numMergedOcc 0
34 mol 230 unq 0 iso 0 dist 6.86851 11.277 8.34416 3.86973 6.31092 9.70239 numMergedOcc 0
35 mol 230 unq 1 iso 0 dist 6.86851 9.16476 6.34832 3.86973 6.31092 6.2222 numMergedOcc 0
36 mol 230 unq 2 iso 0 dist 9.88392 6.41577 8.34416 13.6216 6.31092 9.70239 numMergedOcc 0
37 mol 230 unq 3 iso 0 dist 9.88392 10.5257 6.34832 13.6216 6.31092 6.2222 numMergedOcc 0
38 mol 257 unq 0 iso 0 dist 9.51692 6.26121 6.82575 3.67174 6.11157 3.96862 numMergedOcc 0
39 mol 257 unq 1 iso 0 dist 9.51692 6.26121 6.82575 4.76602 8.97744 5.74474 numMergedOcc 0
