0 mol 37 unq 0 iso 0 dist 8.31005 7.47638 12.6162 4.87451 13.1054 6.84257 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 8.31005 7.47638 12.6162 12.8406 20.4468 9.21102 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.66461 8.06519 14.5166 4.69243 12.849 8.87951 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.88433 8.48071 7.33104 5.92777 11.051 7.14505 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 8.88433 6.48198 6.89658 5.92777 11.051 4.7588 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 9.24874 5.37345 9.81267 10.1051 18.1245 8.88401 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.13344 7.55581 13.9155 6.14253 9.38308 5.92836 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.13344 7.55581 13.9155 4.88407 9.63582 4.73804 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 8.72216 8.6371 5.00766 4.46614 7.60956 6.55217 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 8.72216 8.6371 5.00766 4.74205 9.9171 7.21686 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 8.19939 6.62466 6.27901 7.20315 7.21397 7.8052 numMergedOcc 0
11 mol 165 unq 1 iso 0 dist 8.19939 6.62466 6.27901 5.0887 10.206 8.20329 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 8.46781 8.01462 7.64386 9.45299 9.10995 9.56869 numMergedOcc 0
13 mol 174 unq 1 iso 0 dist 8.46781 8.01462 7.64386 5.34155 9.45435 7.37131 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 8.30095 7.13192 14.7786 3.79373 11.0513 7.71716 numMergedOcc 0
15 mol 203 unq 0 iso 0 dist 9.44579 8.02341 10.6436 7.84676 14.0247 9.47882 numMergedOcc 0
16 mol 203 unq 1 iso 0 dist 9.44579 8.02341 10.6436 4.31543 11.3084 8.60067 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 9.79447 9.69083 6.40216 6.60289 6.28935 9.42877 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 6.50096 8.25961 5.33647 10.2069 13.0786 9.53639 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 8.10031 9.05448 9.35338 5.2107 11.447 8.00841 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.02005 6.41279 5.70552 8.81017 12.7505 7.2154 numMergedOcc 0
21 mol 255 unq 0 iso 0 dist 5.84157 8.17286 12.1115 4.52659 7.57779 7.16286 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.88518 7.96325 16.1624 14.2761 21.0312 9.53832 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 7.86721 5.15432 6.25345 9.70626 14.5527 8.51994 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 7.31523 7.11605 6.12141 7.87626 11.6621 6.38295 numMergedOcc 0
25 mol 280 unq 1 iso 0 dist 7.60676 7.11605 5.846 7.87626 4.45141 6.38295 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.04355 8.72085 7.43524 5.05806 6.96774 9.84741 numMergedOcc 0
27 mol 287 unq 1 iso 0 dist 8.50508 8.72085 13.312 5.05806 10.2812 9.84741 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 9.04355 8.72085 7.43524 5.05806 6.96774 9.84741 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 8.50508 8.72085 13.312 5.05806 10.2812 9.84741 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 9.04355 8.72085 7.43524 5.05806 6.96774 9.84741 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 8.50508 8.72085 13.312 5.05806 10.2812 9.84741 numMergedOcc 0
