0 mol 5 unq 0 iso 0 dist 5.14917 9.41864 8.4435 9.65345 5.2522 6.81899 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.14917 9.41864 8.4435 9.05414 5.13643 9.22198 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.14917 9.41864 8.4435 15.2412 11.5897 8.91509 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.14917 9.41864 8.4435 11.6881 10.0436 7.89217 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 6.96805 13.0853 9.75695 12.2642 7.05332 8.81964 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 9.59644 14.4137 8.13238 12.4886 4.77791 7.74386 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.5203 3.905 9.78608 6.44158 5.80848 6.30436 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 8.72833 4.58417 6.0173 12.7431 9.69445 9.94735 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 8.72833 4.58417 6.0173 9.94756 6.2119 9.44388 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.09675 10.8929 6.73832 14.313 7.87577 6.7939 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.09675 10.8929 6.73832 14.8252 10.5032 6.85356 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 8.09675 13.4503 7.85973 14.313 7.87577 8.44695 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.02753 12.9493 6.73832 14.0045 7.87577 6.7939 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 9.02753 12.9493 6.73832 14.7231 10.5032 6.85356 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 9.02753 11.032 7.85973 14.0045 7.87577 8.44695 numMergedOcc 0
15 mol 75 unq 0 iso 0 dist 6.88616 5.42608 9.2076 11.7744 10.7029 8.57695 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 5.74637 9.22301 8.30943 10.0929 5.26514 9.40061 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 7.52954 7.90311 7.2533 12.7906 8.17578 8.88401 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.09918 10.3282 7.56704 13.2933 5.63383 9.14809 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 9.09918 10.3282 7.56704 16.1271 10.4812 6.45169 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 7.67877 10.8724 8.79837 10.2936 5.25819 5.92836 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 7.67877 10.8724 8.79837 9.48694 8.10796 4.73804 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 5.01269 10.8724 8.33117 10.2936 5.86018 5.92836 numMergedOcc 0
23 mol 133 unq 3 iso 0 dist 5.01269 10.8724 8.33117 9.48694 5.55073 4.73804 numMergedOcc 0
24 mol 133 unq 4 iso 0 dist 5.9962 7.55155 9.31413 12.2067 8.13581 9.82274 numMergedOcc 0
25 mol 133 unq 5 iso 0 dist 8.61448 10.3667 9.31413 5.84909 8.13581 9.82274 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 5.16143 6.16281 9.69202 8.02356 5.55092 9.06599 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 8.08392 15.8892 9.69202 12.3796 5.55092 9.06599 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 8.84813 12.3302 6.03275 19.7697 11.5983 8.44321 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 5.31333 9.85164 8.79089 6.36789 3.82682 9.60838 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 8.72285 4.7297 8.93676 4.40476 4.79564 4.42112 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 7.47852 10.7954 9.10325 10.6641 4.37243 7.0412 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 6.22332 5.60637 9.10325 6.97662 4.37243 7.0412 numMergedOcc 0
33 mol 254 unq 0 iso 0 dist 8.76115 15.9221 9.47137 12.2789 5.64395 9.60855 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 6.72 3.63328 6.79581 10.656 15.283 9.84741 numMergedOcc 0
35 mol 287 unq 1 iso 0 dist 7.47179 9.43796 8.50964 9.38187 10.1749 7.58907 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 6.72 3.63328 6.79581 10.656 15.283 9.84741 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 7.47179 9.43796 8.50964 9.38187 10.1749 7.58907 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 6.72 3.63328 6.79581 10.656 15.283 9.84741 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 7.47179 9.43796 8.50964 9.38187 10.1749 7.58907 numMergedOcc 0
