0 mol 0 unq 0 iso 0 dist 8.82102 12.7597 9.19007 8.21826 9.67081 16.5238 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.82102 10.9048 9.56794 8.21826 9.67081 11.9068 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.93344 7.61116 7.9814 13.0721 8.06267 9.21465 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.93344 7.61116 7.9814 10.6791 5.88334 6.22999 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 8.42147 7.13575 7.71107 10.3018 9.06601 12.2445 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 8.42147 7.13575 7.71107 4.88926 5.98809 3.75797 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.42445 10.9798 6.34525 13.1958 9.93438 13.7162 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.93703 11.1498 6.98934 8.99475 7.60162 9.53672 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 9.93703 7.09096 7.99623 8.99475 7.60162 8.90156 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 9.91381 8.19216 8.80896 3.75669 8.57739 5.46636 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.97145 13.3078 9.29384 5.51548 8.80895 9.6795 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.5874 10.6416 9.29384 5.61122 8.80895 9.6795 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.42756 8.81081 6.69515 6.97119 7.46621 10.7652 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.89982 10.4193 9.77552 4.19899 7.55934 6.69469 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.82249 5.16577 6.20182 3.57652 7.93088 5.21512 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.00898 11.9192 5.4969 10.8953 9.19156 6.41193 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 9.00898 11.0956 6.4318 10.8953 9.19156 10.568 numMergedOcc 0
17 mol 175 unq 2 iso 0 dist 9.00898 15.1521 7.35824 10.8953 9.19156 14.7729 numMergedOcc 0
18 mol 175 unq 3 iso 0 dist 9.00898 13.624 9.17364 10.8953 9.19156 18.0583 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 8.0974 5.49143 4.92088 12.4011 4.72821 8.56547 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 6.47339 10.1932 8.10985 6.52619 6.77156 13.3432 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 6.47339 10.1932 8.10985 9.94769 7.97894 12.4245 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 6.47339 10.1932 8.10985 8.48501 8.08471 5.45278 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 9.67457 13.9851 5.37446 8.81074 6.85824 7.61953 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 5.36776 10.6191 9.95546 12.8843 9.6834 8.52912 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 5.81927 6.31492 8.15467 4.87461 7.12221 8.34189 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 5.81927 6.31492 8.15467 9.93118 5.4557 10.6472 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.02749 7.47773 7.52109 12.2201 8.12739 8.96388 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 9.02749 7.47773 7.52109 12.2802 6.09853 6.75363 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 9.02749 9.5741 7.44083 12.2201 8.12739 12.596 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 9.02749 9.5741 7.44083 12.2802 6.09853 8.42538 numMergedOcc 0
31 mol 274 unq 4 iso 0 dist 9.696 16.1684 9.56685 10.9841 9.83622 8.10746 numMergedOcc 0
32 mol 274 unq 5 iso 0 dist 9.696 16.3319 8.49922 10.9841 9.83622 13.2205 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 8.71213 6.93502 5.31728 3.97296 6.71946 4.12133 numMergedOcc 0
34 mol 285 unq 1 iso 0 dist 8.71213 6.93502 5.31728 11.6681 8.28061 10.3898 numMergedOcc 0
35 mol 285 unq 2 iso 0 dist 8.71213 6.93502 5.31728 10.6606 5.03601 6.89311 numMergedOcc 0
