0 mol 37 unq 0 iso 0 dist 7.47638 6.65821 5.8086 11.746 5.98359 11.7919 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 7.47638 6.02633 9.36335 11.746 5.98359 14.3897 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.04064 6.11881 5.30537 6.18091 8.39015 9.43446 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.85783 5.84244 5.54452 8.6248 9.36989 13.3553 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.85783 5.84244 5.54452 5.52318 8.6728 7.42204 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 8.6659 9.74768 7.52543 7.05715 8.23566 9.58486 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 5.36878 9.79476 7.9126 4.94012 9.87685 12.6708 numMergedOcc 0
7 mol 105 unq 1 iso 0 dist 5.36878 5.74995 6.12741 4.94012 9.87685 10.2276 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 7.52211 7.9061 10.4043 4.93601 4.95086 9.7267 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 7.52211 4.48898 5.16833 4.93601 4.95086 5.96285 numMergedOcc 0
10 mol 147 unq 2 iso 0 dist 7.90441 6.36426 6.33611 6.64765 8.39524 9.7267 numMergedOcc 0
11 mol 147 unq 3 iso 0 dist 7.90441 7.06711 8.80049 6.64765 8.39524 5.96285 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.89388 7.06919 4.18777 4.44449 7.2067 6.84347 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 7.13192 7.03719 6.8779 6.05626 9.16852 12.2094 numMergedOcc 0
14 mol 193 unq 1 iso 0 dist 7.13192 9.06161 11.477 6.05626 9.16852 7.20955 numMergedOcc 0
15 mol 193 unq 2 iso 0 dist 7.13192 8.97094 10.9583 6.05626 9.16852 12.9056 numMergedOcc 0
16 mol 255 unq 0 iso 0 dist 8.17286 7.60846 10.346 4.80227 6.61193 10.2481 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.96325 8.20751 5.70545 9.47962 8.34471 12.027 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 6.81635 8.20751 10.443 3.7042 9.26487 10.1492 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 8.9413 7.74463 6.10503 6.97261 5.10595 9.01586 numMergedOcc 0
