0 mol 5 unq 0 iso 0 dist 8.06353 9.81516 6.60026 9.17453 15.9552 14.2098 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 5.88119 6.70097 3.61632 4.71805 6.22202 9.0513 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 5.88119 5.69408 4.32143 4.71805 6.22202 4.49878 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 5.88119 5.74445 9.47299 4.71805 6.22202 3.59314 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.54392 8.28062 13.7357 6.64571 3.30907 10.8038 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 8.54392 6.90201 6.37795 6.64571 3.30907 5.6849 numMergedOcc 0
6 mol 169 unq 0 iso 0 dist 7.6089 8.28207 9.03053 7.47708 6.47839 11.1464 numMergedOcc 0
7 mol 169 unq 1 iso 0 dist 7.6089 8.37345 12.4425 7.47708 6.47839 11.6489 numMergedOcc 0
8 mol 169 unq 2 iso 0 dist 9.05115 8.80569 12.4425 6.23277 9.95128 13.1539 numMergedOcc 0
9 mol 169 unq 3 iso 0 dist 9.05115 8.80569 12.4425 4.68818 6.47839 11.6489 numMergedOcc 0
10 mol 170 unq 0 iso 0 dist 8.51679 8.20406 12.0942 7.31063 8.35616 8.04307 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 7.27704 7.83637 14.86 7.97079 5.28522 14.0734 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 7.27704 7.83637 14.86 9.52588 12.4528 12.6176 numMergedOcc 0
13 mol 225 unq 2 iso 0 dist 7.27704 7.83637 14.86 5.07766 3.10571 12.192 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.95081 6.85567 3.88767 5.4353 12.1914 12.0915 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 8.9427 7.34165 6.07592 9.13546 16.2212 11.2616 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 8.9427 7.34165 6.07592 8.16952 6.21052 9.69994 numMergedOcc 0
17 mol 244 unq 2 iso 0 dist 8.9427 7.34165 6.07592 7.58413 15.7437 14.0851 numMergedOcc 0
18 mol 244 unq 3 iso 0 dist 8.9427 6.61951 12.139 9.13546 16.2212 13.2473 numMergedOcc 0
19 mol 244 unq 4 iso 0 dist 8.9427 6.61951 12.139 8.16952 6.21052 7.44401 numMergedOcc 0
20 mol 244 unq 5 iso 0 dist 8.9427 6.61951 12.139 7.58413 15.7437 5.68434 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 4.5423 5.38333 5.41757 6.21193 3.39991 5.9468 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 4.5423 5.38333 5.41757 7.75249 5.46505 3.63993 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 4.5423 5.38333 5.41757 6.21193 3.39991 5.9468 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 4.5423 5.38333 5.41757 7.75249 5.46505 3.63993 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 4.5423 5.38333 5.41757 6.21193 3.39991 5.9468 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 4.5423 5.38333 5.41757 7.75249 5.46505 3.63993 numMergedOcc 0
