0 mol 11 unq 0 iso 0 dist 5.47299 5.19841 4.79838 6.56599 3.66215 5.43238 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.40468 5.11518 5.25331 6.35021 3.56133 5.43238 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.72377 4.81351 5.9972 10.8147 4.84198 7.18766 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.42742 9.25422 9.44125 9.50505 3.82801 8.59109 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.55284 9.78889 4.74786 15.2056 12.3016 9.54797 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.33788 5.52962 6.11249 10.5396 7.78417 9.54797 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 7.36877 5.52962 4.74786 10.5396 12.3016 9.54797 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 8.52681 10.1477 6.11249 10.9142 7.78417 9.54797 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 6.89752 5.20585 4.53565 10.4168 12.2529 9.76285 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 6.85843 5.20585 6.15814 10.4168 7.83821 9.76285 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 7.94814 9.98618 6.15814 10.3969 7.83821 9.76285 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 9.55632 9.98618 7.70284 10.3969 5.51708 9.76285 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.33736 6.06895 8.98478 9.9648 4.43437 7.01363 numMergedOcc 0
13 mol 59 unq 0 iso 0 dist 8.988 6.42159 8.10723 10.0135 3.75088 6.90952 numMergedOcc 0
14 mol 135 unq 0 iso 0 dist 8.18584 14.1872 9.94534 18.874 11.4615 9.1005 numMergedOcc 0
15 mol 135 unq 1 iso 0 dist 9.85803 11.2681 9.94534 18.3817 11.4615 9.1005 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 9.00084 5.12102 6.21648 6.00381 4.69617 6.33838 numMergedOcc 0
17 mol 193 unq 1 iso 0 dist 9.50113 11.453 6.21648 10.2826 4.69617 6.33838 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.96442 11.5876 8.5244 15.6125 13.6229 8.57853 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 8.96442 11.5876 8.5244 12.0276 6.19774 6.75035 numMergedOcc 0
20 mol 228 unq 0 iso 0 dist 9.45974 10.7923 8.29523 13.3836 5.63283 7.46689 numMergedOcc 0
21 mol 228 unq 1 iso 0 dist 9.45974 10.7923 8.29523 8.2286 3.65229 8.37287 numMergedOcc 0
22 mol 228 unq 2 iso 0 dist 9.86348 10.784 8.13557 8.5965 3.62742 8.07174 numMergedOcc 0
23 mol 228 unq 3 iso 0 dist 9.86348 10.784 8.13557 13.1883 5.34726 7.09766 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.58325 4.81796 8.08777 6.98781 3.78476 7.25543 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 4.37138 7.14566 9.99181 12.8655 14.8407 8.53287 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 9.83135 9.57602 6.59989 13.9815 6.19835 6.03988 numMergedOcc 0
27 mol 254 unq 1 iso 0 dist 7.40957 4.78931 6.12653 10.1882 5.67608 6.03988 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 9.60384 5.36361 9.08606 5.98155 3.70701 6.73692 numMergedOcc 0
29 mol 286 unq 0 iso 0 dist 6.89373 5.1655 9.81574 10.6297 13.7624 8.81794 numMergedOcc 0
