0 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 4.13477 7.44542 7.8865 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.4759 6.44693 9.15208 8.28579 13.7924 7.11633 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 6.00486 5.41134 6.65344 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.8166 6.85083 6.47721 8.5275 11.47 7.7978 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 5.8166 6.85083 6.47721 10.3175 14.0776 9.55751 numMergedOcc 0
5 mol 59 unq 3 iso 0 dist 6.47468 8.97292 13.0793 6.00486 9.23605 6.65344 numMergedOcc 0
6 mol 59 unq 4 iso 0 dist 6.47468 6.85083 8.64013 8.5275 13.8606 7.7978 numMergedOcc 0
7 mol 59 unq 5 iso 0 dist 6.47468 6.85083 8.64013 10.3175 14.9396 9.55751 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 9.59708 7.26032 6.51657 4.4104 8.32885 8.88225 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 9.59708 7.26032 6.51657 9.78656 9.14653 9.49308 numMergedOcc 0
10 mol 86 unq 2 iso 0 dist 7.18799 7.26032 5.19926 4.4104 10.3332 8.88225 numMergedOcc 0
11 mol 86 unq 3 iso 0 dist 7.18799 7.26032 5.19926 9.78656 13.7717 9.49308 numMergedOcc 0
12 mol 86 unq 4 iso 0 dist 8.4254 5.49793 5.19926 9.86291 10.3332 8.88225 numMergedOcc 0
13 mol 86 unq 5 iso 0 dist 8.4254 5.49793 5.19926 9.22136 13.7717 9.49308 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 12.0108 15.6575 9.40018 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 6.78551 5.09114 6.28781 9.14438 11.1785 6.78949 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 10.0479 14.6873 8.30654 numMergedOcc 0
17 mol 187 unq 0 iso 0 dist 5.26804 7.68247 4.98423 6.54244 5.82577 9.36086 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 11.524 18.9969 9.90531 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 11.6082 13.7393 6.24928 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 12.6079 18.6931 5.89502 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 8.27377 7.0247 12.8819 11.088 17.9702 7.15815 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 11.5386 14.3194 8.06771 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.33299 9.47382 12.7868 12.8939 20.4263 9.54857 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 9.49732 6.49599 11.0067 11.5386 15.5491 8.06771 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 9.49732 9.47382 6.18571 12.8939 8.06908 9.54857 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.64366 9.27588 8.81953 12.8888 17.006 8.59986 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 9.71938 8.27977 9.19671 4.0145 12.3561 7.74162 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.20553 6.8133 9.63504 9.02523 15.0875 9.6898 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 9.20553 6.8133 9.63504 9.57206 13.6631 5.75596 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 6.02106 8.90008 8.15525 12.4441 13.0622 6.27435 numMergedOcc 0
31 mol 293 unq 1 iso 0 dist 8.27274 8.90008 9.35524 12.4441 11.8289 6.27435 numMergedOcc 0
