0 mol 19 unq 0 iso 0 dist 8.40416 10.4416 8.54034 10.7864 5.46754 5.53102 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.75618 8.7083 8.54034 6.50337 5.46754 5.53102 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.09764 4.95725 7.14069 9.4228 7.3057 6.29237 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.09764 5.84217 8.58641 9.4228 7.3057 9.24286 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.4051 13.6174 5.80953 18.0802 11.3314 8.21811 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.4051 13.6174 5.80953 8.80127 3.4435 5.13078 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.29868 5.69214 5.80953 10.0889 11.3314 8.21811 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 7.29868 5.69214 5.80953 9.11809 3.4435 5.13078 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.60554 5.11636 5.80953 6.07553 11.3314 8.21811 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.60554 5.11636 5.80953 6.48457 3.4435 5.13078 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.23446 6.28159 4.5711 10.7243 4.21221 4.90881 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 8.23446 6.28159 4.5711 13.0477 5.85158 9.39956 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 8.23446 5.50396 4.44526 8.80127 12.6622 8.70016 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 8.23446 5.50396 4.44526 10.7243 4.21221 6.15382 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 8.23446 5.50396 4.44526 10.6494 3.72191 6.63216 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 8.44664 4.79736 9.98592 6.07553 7.262 7.73513 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 8.44664 4.79736 9.98592 12.2958 9.88595 9.63982 numMergedOcc 0
17 mol 24 unq 13 iso 0 dist 8.75662 5.50396 9.586 8.80127 7.63657 8.70016 numMergedOcc 0
18 mol 24 unq 14 iso 0 dist 8.75662 5.50396 9.586 10.7243 14.8922 6.15382 numMergedOcc 0
19 mol 24 unq 15 iso 0 dist 8.75662 5.50396 9.586 10.6494 10.7324 6.63216 numMergedOcc 0
20 mol 24 unq 16 iso 0 dist 9.44691 14.4081 9.586 6.48457 7.63657 8.70016 numMergedOcc 0
21 mol 24 unq 17 iso 0 dist 9.44691 14.4081 9.586 19.7575 14.8922 6.15382 numMergedOcc 0
22 mol 24 unq 18 iso 0 dist 9.44691 14.4081 9.586 16.9728 10.7324 6.63216 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 9.27838 4.03844 6.91169 4.69674 11.7291 7.52245 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 9.24757 5.70116 6.14542 13.1245 4.10173 8.95637 numMergedOcc 0
25 mol 91 unq 0 iso 0 dist 9.30539 12.6799 8.77355 13.2518 11.0296 5.97918 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.8822 13.9729 9.30645 16.0262 8.69658 6.03035 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 6.73586 4.39676 8.67537 6.16081 6.65893 4.22806 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.16242 13.0405 8.83732 10.6168 5.21958 5.47256 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 5.87634 13.7612 8.83732 8.75049 5.21958 5.47256 numMergedOcc 0
30 mol 135 unq 0 iso 0 dist 5.62052 8.50814 7.28318 14.0577 11.7342 5.72277 numMergedOcc 0
31 mol 135 unq 1 iso 0 dist 7.90563 8.50814 7.17599 14.0577 10.0632 5.72277 numMergedOcc 0
32 mol 135 unq 2 iso 0 dist 7.85645 3.95636 7.28318 9.31304 11.7342 5.72277 numMergedOcc 0
33 mol 135 unq 3 iso 0 dist 8.97655 3.95636 7.17599 9.31304 10.0632 5.72277 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 6.73956 4.88992 8.62102 12.1958 12.7612 8.00791 numMergedOcc 0
35 mol 184 unq 0 iso 0 dist 6.42735 4.08775 7.81263 7.90333 8.11291 4.56607 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 7.43071 5.0317 9.18728 9.68793 5.78036 8.60053 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 5.41321 5.0317 8.91971 9.68793 14.7628 8.60053 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 6.02296 5.83175 9.18728 6.40086 5.78036 8.60053 numMergedOcc 0
