0 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 11.7941 14.1443 7.05196 numMergedOcc 0
1 mol 86 unq 0 iso 0 dist 9.59708 7.26032 6.51657 7.32234 10.0303 7.90423 numMergedOcc 0
2 mol 86 unq 1 iso 0 dist 7.18799 7.26032 5.19926 7.32234 11.6515 7.90423 numMergedOcc 0
3 mol 86 unq 2 iso 0 dist 8.4254 5.49793 5.19926 5.96801 11.6515 7.90423 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 10.9005 13.3196 7.82475 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 9.06539 11.3211 5.35782 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 6.11558 7.97194 6.00603 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 5.22333 8.57774 5.58833 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 4.67452 12.6375 9.27976 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 3.48657 8.62632 6.89918 numMergedOcc 0
10 mol 132 unq 1 iso 0 dist 7.14447 8.48641 11.8999 3.48657 8.62632 7.89457 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 7.21648 10.4827 7.36975 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 9.76501 8.72463 7.03272 9.42107 11.3526 5.40637 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.02648 10.4953 7.20495 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 6.5782 6.64164 6.43506 12.0503 13.3506 9.2289 numMergedOcc 0
15 mol 167 unq 2 iso 0 dist 6.5782 6.64164 6.43506 10.1276 12.2826 7.02548 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 6.89643 6.60477 6.49186 6.54174 10.9924 6.02086 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 7.33326 6.01118 5.84525 5.23156 11.2963 7.06025 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.00773 9.2521 13.931 12.95 15.3291 9.08509 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.00773 8.51359 15.2654 6.44649 11.4981 9.06592 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 9.41512 16.3225 9.46361 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 9.33299 9.47382 12.7868 11.8307 17.3468 5.85442 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 9.33299 9.47382 12.7868 9.41512 16.3225 6.95511 numMergedOcc 0
23 mol 259 unq 3 iso 0 dist 9.49732 6.49599 11.0067 9.41512 8.2518 9.46361 numMergedOcc 0
24 mol 259 unq 4 iso 0 dist 9.49732 9.47382 6.18571 11.8307 8.40328 5.85442 numMergedOcc 0
25 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 9.41512 8.2518 6.95511 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 9.20553 6.8133 9.63504 11.4338 12.9599 9.9182 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 9.20553 6.8133 9.63504 12.3949 17.5733 8.9221 numMergedOcc 0
