0 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.32132 8.23292 5.04899 11.7941 14.1443 7.05196 6.47509 numMergedOcc 0
1 mol 86 unq 0 iso 0 dist 9.59708 7.26032 6.51657 5.91309 13.9582 9.5497 7.32234 10.0303 7.90423 6.98209 numMergedOcc 0
2 mol 86 unq 1 iso 0 dist 7.18799 7.26032 5.19926 5.91309 10.3472 9.5497 7.32234 11.6515 7.90423 6.98209 numMergedOcc 0
3 mol 86 unq 2 iso 0 dist 8.4254 5.49793 5.19926 5.82069 10.3472 9.5497 5.96801 11.6515 7.90423 6.98209 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 10.9005 13.3196 7.82475 5.43561 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 9.06539 11.3211 5.35782 6.30222 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 10.9005 13.3196 7.82475 5.9143 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 9.06539 11.3211 5.35782 5.47563 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 9.52282 5.09688 6.89762 10.2364 15.6218 8.86688 10.9005 13.3196 7.82475 5.25234 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 9.52282 5.09688 6.89762 10.2364 15.6218 8.86688 9.06539 11.3211 5.35782 5.03232 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 6.01457 11.9171 8.37808 6.11558 7.97194 6.00603 6.15636 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 13.1328 10.482 5.83384 5.22333 8.57774 5.58833 9.00231 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 6.82985 15.0724 8.40312 4.67452 12.6375 9.27976 3.98662 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 15.9368 17.544 7.7059 3.48657 8.62632 6.89918 12.9631 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 7.21648 10.4827 7.36975 13.1926 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 9.42107 11.3526 5.40637 7.39837 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 5.02648 10.4953 7.20495 7.87971 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 12.0503 13.3506 9.2289 12.0033 numMergedOcc 0
18 mol 167 unq 2 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 10.1276 12.2826 7.02548 11.6011 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 7.33326 6.01118 5.84525 9.73148 12.5152 6.69288 5.23156 11.2963 7.06025 6.42973 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.00773 9.2521 13.931 12.8083 15.3135 6.22714 12.95 15.3291 9.08509 12.7938 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 10.1821 10.7268 7.31233 12.95 15.3291 9.08509 11.0772 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 14.1932 13.3627 8.13497 9.41512 16.3225 9.46361 12.2293 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.33299 6.49599 7.32419 13.8605 12.9693 7.88519 9.41512 16.3225 9.46361 11.6988 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 11.8307 17.3468 5.85442 10.067 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 9.41512 16.3225 6.95511 11.6988 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 9.49732 6.49599 11.0067 14.1932 16.342 8.13497 9.41512 8.2518 9.46361 12.2293 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 9.49732 6.49599 11.0067 13.8605 13.6279 7.88519 9.41512 8.2518 9.46361 11.6988 numMergedOcc 0
28 mol 259 unq 6 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 11.8307 8.40328 5.85442 10.067 numMergedOcc 0
29 mol 259 unq 7 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 9.41512 8.2518 6.95511 11.6988 numMergedOcc 0
