0 mol 16 unq 0 iso 0 dist 7.46752 9.47421 5.94084 10.3638 9.79958 5.77753 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.18518 5.36258 6.55187 6.1852 13.8602 9.04865 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.85305 6.72467 6.29127 6.71226 6.87871 8.82122 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.05547 8.10708 14.134 12.9966 19.4465 5.45575 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 5.54343 8.61926 5.35421 10.8544 12.2258 9.14856 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.24121 5.29487 11.1718 7.48749 9.74996 7.78321 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 8.52371 5.29487 5.16281 7.48749 8.21667 7.78321 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 6.8198 5.29487 6.26716 7.48749 13.047 7.78321 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 7.9097 7.06542 4.77089 7.45147 9.90199 6.21735 numMergedOcc 0
9 mol 69 unq 4 iso 0 dist 7.9097 7.06542 4.77089 6.81705 12.4227 8.8941 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 7.48277 6.793 4.32286 5.51997 9.43411 9.50209 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 9.0361 6.793 5.498 5.51997 9.80678 9.50209 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 6.09472 8.81198 5.60178 9.42841 8.81562 5.60716 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 6.09472 8.81198 5.60178 5.14617 6.86946 5.52706 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.96061 6.61636 12.8483 8.08082 14.1445 8.25207 numMergedOcc 0
15 mol 140 unq 0 iso 0 dist 8.36882 5.40251 4.90549 4.79819 11.7711 7.79467 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 6.53758 8.54318 5.77564 5.2941 7.02715 5.64806 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 8.70197 7.33162 13.5291 15.6753 21.459 9.25763 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 8.70197 7.33162 13.5291 16.6412 22.9204 9.63102 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 7.0119 9.5964 4.8585 8.77652 9.72979 8.42763 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 5.10683 5.60554 5.35865 5.07696 9.22235 6.97993 numMergedOcc 0
21 mol 217 unq 1 iso 0 dist 5.10683 5.60554 5.35865 10.7616 13.6246 9.91633 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.27481 7.46845 7.61682 4.56782 8.7347 5.04916 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 4.79841 8.15582 5.70973 6.4556 6.56437 8.7868 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 4.79841 8.15582 5.70973 5.66462 6.23882 4.64336 numMergedOcc 0
25 mol 228 unq 0 iso 0 dist 9.4597 8.10816 5.37846 6.74578 11.1859 9.58356 numMergedOcc 0
26 mol 228 unq 1 iso 0 dist 9.29603 7.95486 5.03713 6.68691 11.0094 9.29522 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 6.54753 6.59786 4.89568 10.41 10.8195 8.41674 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 6.54753 6.59786 4.89568 4.62586 8.90885 6.8391 numMergedOcc 0
29 mol 273 unq 2 iso 0 dist 6.54753 7.96519 11.5447 4.62586 8.90885 6.06557 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 8.78835 7.2668 7.0683 8.09709 13.8491 7.59622 numMergedOcc 0
