0 mol 18 unq 0 iso 0 dist 6.41856 8.35401 3.96312 9.7728 6.30737 3.17053 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.51213 8.35401 13.06 9.7728 15.8027 3.17053 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 7.88429 6.29808 7.08873 8.07673 5.90858 9.90334 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 7.88429 7.46409 10.6154 8.07673 5.90858 10.4809 numMergedOcc 0
4 mol 21 unq 2 iso 0 dist 7.88429 8.99131 9.29249 8.07673 5.90858 4.70114 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.13365 6.77987 10.2876 7.63824 9.76111 7.63404 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 8.99612 9.07954 4.32726 6.64146 4.63184 5.70395 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 9.27092 8.09973 5.68906 6.58981 6.8858 3.73834 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.32453 8.25047 6.77898 8.63792 3.69293 3.35924 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 8.00525 6.64714 12.6799 7.09177 4.73184 9.60912 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.10877 9.43355 10.8106 8.61597 13.6379 13.6138 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 9.10877 5.64141 7.14217 8.61597 13.6379 12.3588 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 9.10877 5.46186 12.9351 8.61597 13.6379 4.98621 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 9.17862 9.77082 3.94537 7.97266 4.23405 5.38692 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.27456 8.0675 3.94537 9.98215 17.0418 15.2673 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 7.55822 5.93365 3.87365 6.98134 5.49724 3.43966 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.60425 5.20001 6.57678 5.94465 11.1642 9.7683 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 9.99727 6.49766 4.1335 8.09682 12.2105 8.42496 numMergedOcc 0
18 mol 123 unq 1 iso 0 dist 9.99727 6.49766 4.1335 8.35926 12.5368 10.3919 numMergedOcc 0
19 mol 123 unq 2 iso 0 dist 9.99727 6.49766 4.1335 7.41568 6.21159 3.3389 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 7.00798 8.62413 12.1739 8.42277 12.7464 12.7725 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 7.00798 8.62413 12.1739 6.26653 10.1964 10.2785 numMergedOcc 0
22 mol 129 unq 2 iso 0 dist 7.00798 6.93102 5.63254 8.42277 12.7464 9.39617 numMergedOcc 0
23 mol 129 unq 3 iso 0 dist 7.00798 6.93102 5.63254 6.26653 10.1964 6.48525 numMergedOcc 0
24 mol 129 unq 4 iso 0 dist 7.00798 8.4375 8.26896 8.42277 12.7464 12.5711 numMergedOcc 0
25 mol 129 unq 5 iso 0 dist 7.00798 8.4375 8.26896 6.26653 10.1964 9.49478 numMergedOcc 0
26 mol 146 unq 0 iso 0 dist 8.53451 6.76896 12.6805 8.91908 5.34214 14.9518 numMergedOcc 0
27 mol 146 unq 1 iso 0 dist 7.24965 6.76896 8.33152 8.91908 9.58921 14.9518 numMergedOcc 0
28 mol 147 unq 0 iso 0 dist 9.23551 8.73613 5.59468 8.94352 12.7148 8.67676 numMergedOcc 0
29 mol 147 unq 1 iso 0 dist 7.4653 8.10157 10.5361 5.39386 7.06219 3.7729 numMergedOcc 0
30 mol 147 unq 2 iso 0 dist 7.4653 8.10157 10.5361 5.79819 4.19634 6.34165 numMergedOcc 0
31 mol 147 unq 3 iso 0 dist 7.4653 8.10157 10.5361 6.03024 4.45407 10.7999 numMergedOcc 0
32 mol 147 unq 4 iso 0 dist 7.95564 8.10157 8.88819 5.39386 6.04074 3.7729 numMergedOcc 0
33 mol 147 unq 5 iso 0 dist 7.95564 8.10157 8.88819 5.79819 6.24579 6.34165 numMergedOcc 0
34 mol 147 unq 6 iso 0 dist 7.95564 8.10157 8.88819 6.03024 5.06602 10.7999 numMergedOcc 0
35 mol 158 unq 0 iso 0 dist 9.03632 6.68721 13.7172 6.51748 6.60451 11.6769 numMergedOcc 0
36 mol 173 unq 0 iso 0 dist 9.09857 5.82174 3.74688 9.31914 7.53527 8.19035 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 9.66975 8.73525 11.3125 9.38235 14.5003 10.833 numMergedOcc 0
38 mol 204 unq 1 iso 0 dist 9.66975 8.73525 11.3125 8.95509 14.597 4.66758 numMergedOcc 0
