0 mol 34 unq 0 iso 0 dist 6.17472 9.48195 15.1968 4.25802 10.0836 7.34832 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 5.98359 8.5893 12.0017 6.28359 11.6521 9.59073 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.6308 8.96446 3.78122 8.53951 8.48639 7.62463 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 8.88685 9.78342 11.0051 6.76244 14.7511 9.67744 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 9.1109 6.54699 5.42817 10.7386 9.85715 9.33112 numMergedOcc 0
5 mol 101 unq 1 iso 0 dist 5.51185 6.54699 4.19577 10.7386 12.6901 9.33112 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 9.98097 7.74168 12.8725 9.00263 18.6992 9.92715 numMergedOcc 0
7 mol 220 unq 0 iso 0 dist 9.22805 9.531 9.65101 4.88526 10.4184 6.31365 numMergedOcc 0
8 mol 220 unq 1 iso 0 dist 9.16648 9.531 8.01687 4.88526 10.1748 6.31365 numMergedOcc 0
9 mol 231 unq 0 iso 0 dist 6.73226 6.8533 11.6438 9.55173 15.902 8.48015 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 8.33254 7.14918 14.793 6.96767 14.4816 7.97504 numMergedOcc 0
11 mol 252 unq 0 iso 0 dist 8.04265 7.54349 6.40957 7.44658 4.54745 7.62991 numMergedOcc 0
12 mol 252 unq 1 iso 0 dist 9.42193 7.38867 8.56684 8.846 4.54745 9.81261 numMergedOcc 0
13 mol 279 unq 0 iso 0 dist 7.88102 5.16266 8.61444 5.03747 10.2668 4.98693 numMergedOcc 0
14 mol 279 unq 1 iso 0 dist 7.93694 5.16266 6.1215 5.03747 9.97712 4.98693 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 8.83885 9.57637 7.24849 8.58414 9.94851 4.93516 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 8.83885 9.57637 7.24849 8.58414 9.94851 4.93516 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 8.83885 9.57637 7.24849 8.58414 9.94851 4.93516 numMergedOcc 0
