0 mol 38 unq 0 iso 0 dist 7.96306 8.3311 7.17698 5.96514 4.74069 3.50961 numMergedOcc 0
1 mol 38 unq 0 iso 1 dist 7.96306 5.96514 4.74069 8.3311 7.17698 3.50961 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.09675 10.2047 7.69222 10.8441 5.82056 3.32668 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 8.09675 10.8441 5.82056 10.2047 7.69222 3.32668 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.09675 10.2047 7.69222 15.2203 9.09115 8.07648 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 8.09675 15.2203 9.09115 10.2047 7.69222 8.07648 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.09675 10.8441 5.82056 15.2203 9.09115 5.30471 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 8.09675 15.2203 9.09115 10.8441 5.82056 5.30471 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.02753 14.0199 7.69222 13.7625 5.82056 3.32668 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 9.02753 13.7625 5.82056 14.0199 7.69222 3.32668 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 9.02753 14.0199 7.69222 17.5374 9.09115 8.07648 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 9.02753 17.5374 9.09115 14.0199 7.69222 8.07648 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.02753 13.7625 5.82056 17.5374 9.09115 5.30471 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 9.02753 17.5374 9.09115 13.7625 5.82056 5.30471 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 7.13958 9.63308 9.31543 9.05571 8.85652 5.94312 numMergedOcc 0
15 mol 129 unq 0 iso 1 dist 7.13958 9.05571 8.85652 9.63308 9.31543 5.94312 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 8.84813 5.21212 6.95244 11.2286 6.11224 7.19559 numMergedOcc 0
17 mol 173 unq 0 iso 1 dist 8.84813 11.2286 6.11224 5.21212 6.95244 7.19559 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.47852 11.1052 8.94981 3.60045 5.90986 8.05944 numMergedOcc 0
19 mol 225 unq 0 iso 1 dist 7.47852 3.60045 5.90986 11.1052 8.94981 8.05944 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 7.47852 11.1052 8.94981 10.6169 7.50697 13.7858 numMergedOcc 0
21 mol 225 unq 1 iso 1 dist 7.47852 10.6169 7.50697 11.1052 8.94981 13.7858 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 7.47852 3.60045 5.90986 10.6169 7.50697 11.2712 numMergedOcc 0
23 mol 225 unq 1 iso 1 dist 7.47852 10.6169 7.50697 3.60045 5.90986 11.2712 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 6.22332 13.5289 8.94981 6.40342 5.90986 8.05944 numMergedOcc 0
25 mol 225 unq 2 iso 1 dist 6.22332 6.40342 5.90986 13.5289 8.94981 8.05944 numMergedOcc 0
26 mol 225 unq 3 iso 0 dist 6.22332 13.5289 8.94981 9.92088 7.50697 13.7858 numMergedOcc 0
27 mol 225 unq 3 iso 1 dist 6.22332 9.92088 7.50697 13.5289 8.94981 13.7858 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 6.22332 6.40342 5.90986 9.92088 7.50697 11.2712 numMergedOcc 0
29 mol 225 unq 3 iso 1 dist 6.22332 9.92088 7.50697 6.40342 5.90986 11.2712 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.29888 6.25665 6.5311 16.4705 9.67281 13.167 numMergedOcc 0
31 mol 238 unq 0 iso 1 dist 9.29888 16.4705 9.67281 6.25665 6.5311 13.167 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 8.32005 8.84052 8.59229 3.97177 7.33165 5.45865 numMergedOcc 0
33 mol 253 unq 0 iso 1 dist 8.32005 3.97177 7.33165 8.84052 8.59229 5.45865 numMergedOcc 0
34 mol 253 unq 1 iso 0 dist 8.32005 8.84052 8.59229 10.8314 9.66967 6.88699 numMergedOcc 0
35 mol 253 unq 1 iso 1 dist 8.32005 10.8314 9.66967 8.84052 8.59229 6.88699 numMergedOcc 0
36 mol 253 unq 1 iso 0 dist 8.32005 3.97177 7.33165 10.8314 9.66967 7.10824 numMergedOcc 0
37 mol 253 unq 1 iso 1 dist 8.32005 10.8314 9.66967 3.97177 7.33165 7.10824 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.06908 5.49348 8.40328 5.13138 8.2518 3.51848 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 8.06908 5.13138 8.2518 5.49348 8.40328 3.51848 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 9.80002 10.6534 8.66133 15.8245 6.95569 15.0189 numMergedOcc 0
41 mol 273 unq 0 iso 1 dist 9.80002 15.8245 6.95569 10.6534 8.66133 15.0189 numMergedOcc 0
42 mol 273 unq 1 iso 0 dist 6.73794 3.80794 8.66133 13.255 6.95569 15.0189 numMergedOcc 0
43 mol 273 unq 1 iso 1 dist 6.73794 13.255 6.95569 3.80794 8.66133 15.0189 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 6.70414 12.2421 9.91103 10.9521 7.0603 3.39114 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 6.70414 10.9521 7.0603 12.2421 9.91103 3.39114 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 5.76796 9.11313 5.49829 6.01574 6.24134 8.58145 numMergedOcc 0
47 mol 285 unq 0 iso 1 dist 5.76796 6.01574 6.24134 9.11313 5.49829 8.58145 numMergedOcc 0
