0 mol 34 unq 0 iso 0 dist 9.18109 5.80438 6.40741 9.98585 6.71226 8.58962 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.18109 5.80438 6.40741 14.2191 5.64203 9.95325 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.23298 7.29309 9.30836 9.59265 7.28199 7.41937 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 6.23298 7.29309 9.30836 8.34804 10.2575 8.17929 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 6.23298 4.31746 6.58279 9.59265 7.28199 6.07108 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 6.23298 4.31746 6.58279 8.34804 10.2575 5.63802 numMergedOcc 0
6 mol 67 unq 4 iso 0 dist 9.85405 7.83316 9.30836 13.1115 7.28199 7.41937 numMergedOcc 0
7 mol 67 unq 5 iso 0 dist 9.85405 7.83316 9.30836 12.4225 10.2575 8.17929 numMergedOcc 0
8 mol 67 unq 6 iso 0 dist 9.85405 7.58981 6.58279 13.1115 7.28199 6.07108 numMergedOcc 0
9 mol 67 unq 7 iso 0 dist 9.85405 7.58981 6.58279 12.4225 10.2575 5.63802 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.87177 14.8438 5.30477 13.7185 7.78899 8.13535 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.70925 7.25285 5.30477 8.09675 7.78899 8.13535 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.95756 5.90782 5.30477 9.02753 7.78899 8.13535 numMergedOcc 0
13 mol 83 unq 0 iso 0 dist 6.98121 5.93743 9.50228 12.9746 14.9082 7.65069 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.93688 11.6798 7.2131 10.4835 7.30364 7.31426 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 9.93688 12.656 7.44343 13.348 10.9929 6.15654 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 9.88184 11.0631 7.2131 5.53726 7.30364 7.31426 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 9.88184 14.9487 7.44343 18.0853 10.9929 6.15654 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 6.71671 4.1431 9.5002 10.3436 9.44733 9.6403 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 9.79844 17.8562 9.10677 11.2018 5.74375 9.13614 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 6.00651 7.38323 5.08863 9.21476 4.93993 9.77522 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 5.55129 5.03347 7.32163 10.9866 6.51997 9.77704 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 9.76275 13.5286 9.62138 14.3399 6.78674 8.49831 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 9.51731 7.15755 8.62413 14.7169 9.75316 9.31025 numMergedOcc 0
24 mol 162 unq 1 iso 0 dist 9.51731 7.15755 8.62413 8.37231 3.96207 9.0087 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 4.96259 3.97538 5.67112 8.8886 6.36904 6.03403 numMergedOcc 0
26 mol 185 unq 0 iso 0 dist 5.40655 6.26644 8.56136 7.64068 4.81985 6.68054 numMergedOcc 0
27 mol 217 unq 0 iso 0 dist 5.89788 10.7793 6.14304 8.80103 5.21449 7.63191 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 6.11539 9.74489 6.67239 12.252 6.32212 6.83927 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 6.11539 6.70882 6.23146 12.252 6.32212 9.25162 numMergedOcc 0
30 mol 232 unq 2 iso 0 dist 9.71082 16.2642 6.67239 14.4927 6.32212 6.83927 numMergedOcc 0
31 mol 232 unq 3 iso 0 dist 9.71082 14.3107 6.23146 14.4927 6.32212 9.25162 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 4.75866 4.34346 6.12347 9.5717 9.69939 5.94449 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 4.75866 11.8793 8.79637 9.5717 9.69939 8.61452 numMergedOcc 0
34 mol 279 unq 2 iso 0 dist 7.87072 6.68035 6.12347 8.299 9.69939 5.94449 numMergedOcc 0
35 mol 279 unq 3 iso 0 dist 7.87072 4.47851 8.79637 8.299 9.69939 8.61452 numMergedOcc 0
36 mol 294 unq 0 iso 0 dist 5.27236 7.33654 6.1268 8.55037 9.06411 7.14502 numMergedOcc 0
