0 mol 8 unq 0 iso 0 dist 9.36227 8.16743 12.0906 7.96271 5.38101 7.10775 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 7.71544 9.37413 11.4587 8.5226 6.49386 16.2504 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 7.71544 9.18487 4.14738 8.5226 6.49386 10.2416 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.25641 7.23261 11.0273 9.38647 3.51573 8.80716 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 9.25641 6.20069 8.71322 9.38647 3.51573 8.56923 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 4.67917 8.17564 8.85727 8.11934 9.75263 10.9396 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 5.81747 8.17564 4.07863 8.11934 6.8954 10.9396 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.53731 7.50886 8.32999 6.8458 3.46142 9.35355 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 8.53731 7.25217 5.28095 6.8458 3.46142 5.27716 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.7143 9.19941 9.81014 8.76105 7.7128 10.4295 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 9.56016 8.60027 11.0188 6.83972 4.27185 7.99366 numMergedOcc 0
11 mol 185 unq 1 iso 0 dist 9.56016 8.60027 11.0188 6.70069 12.2909 5.5418 numMergedOcc 0
12 mol 185 unq 2 iso 0 dist 7.92501 8.60027 7.3365 6.83972 6.91571 7.99366 numMergedOcc 0
13 mol 185 unq 3 iso 0 dist 7.92501 8.60027 7.3365 6.70069 3.60036 5.5418 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 7.81168 8.26654 13.0397 5.14547 5.9319 7.3711 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 5.86679 6.9453 4.20431 7.39089 9.59013 11.6161 numMergedOcc 0
16 mol 243 unq 1 iso 0 dist 8.28347 6.9453 10.5337 7.39089 6.69795 11.6161 numMergedOcc 0
17 mol 286 unq 0 iso 0 dist 5.03123 8.39965 7.82593 8.95266 6.41589 14.0605 numMergedOcc 0
