0 mol 18 unq 0 iso 0 dist 5.03976 8.35401 6.44368 9.7728 9.14029 3.17053 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 9.5209 7.48994 6.49199 5.78231 4.84198 5.33785 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.94949 8.66089 9.4947 4.41045 11.9746 7.49744 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 8.94949 6.9181 12.488 4.41045 11.9746 3.22951 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 8.94949 5.84349 14.0108 4.41045 11.9746 3.60218 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.4815 6.887 10.4688 7.68019 9.78639 3.41186 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.13638 8.26586 4.39445 9.57292 6.13897 4.97562 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 7.13638 9.76234 10.7557 9.57292 6.13897 8.52877 numMergedOcc 0
8 mol 74 unq 0 iso 0 dist 8.47441 7.0427 5.06304 8.4902 12.3259 7.98596 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.46478 6.24296 7.2898 8.15861 10.803 3.65186 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.46478 6.24296 7.2898 9.27814 14.0177 14.6387 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 7.46478 6.83218 4.13305 8.15861 10.803 7.00044 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 7.46478 6.83218 4.13305 9.27814 14.0177 15.2529 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 5.77804 9.43355 12.1673 8.61597 11.5028 13.6138 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 5.77804 5.64141 7.30779 8.61597 11.5028 12.3588 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 5.77804 5.46186 9.18194 8.61597 11.5028 4.98621 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 9.77482 5.20001 6.95589 5.94465 15.4855 9.7683 numMergedOcc 0
17 mol 117 unq 1 iso 0 dist 9.0428 5.20001 13.3894 5.94465 4.18875 9.7683 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 6.66451 6.76896 4.23789 8.91908 14.6538 14.9518 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 7.9061 8.73613 11.4653 8.94352 12.9354 8.67676 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 4.48898 8.73613 7.68412 8.94352 6.60281 8.67676 numMergedOcc 0
21 mol 147 unq 2 iso 0 dist 7.6489 8.10157 13.6845 5.39386 9.9402 3.7729 numMergedOcc 0
22 mol 147 unq 3 iso 0 dist 7.6489 8.10157 13.6845 5.79819 7.97454 6.34165 numMergedOcc 0
23 mol 147 unq 4 iso 0 dist 7.6489 8.10157 13.6845 6.03024 3.547 10.7999 numMergedOcc 0
24 mol 157 unq 0 iso 0 dist 7.36432 8.51753 5.38303 8.97914 6.10876 4.69348 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 7.63085 6.68721 9.88872 6.51748 5.30823 11.6769 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 4.54491 8.90926 6.51384 7.42696 8.33772 8.05795 numMergedOcc 0
27 mol 184 unq 1 iso 0 dist 4.54491 8.90926 6.51384 5.86468 3.88336 9.99712 numMergedOcc 0
28 mol 184 unq 2 iso 0 dist 4.54491 8.90926 6.51384 8.73302 7.34488 12.1721 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 8.03194 5.4767 10.1772 6.46335 6.19774 5.42052 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 9.25515 7.1699 3.83954 9.11501 9.38032 9.98348 numMergedOcc 0
