0 mol 52 unq 0 iso 0 dist 5.77748 9.02308 10.3287 5.63773 9.67023 12.0739 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.62062 9.6112 6.03647 5.09571 6.86785 9.90304 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.33436 6.08894 6.03647 5.75558 6.86785 9.90304 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.23092 8.75995 8.38443 10.2876 9.3239 10.9957 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 9.23092 6.0933 7.60951 10.2876 9.3239 12.774 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 5.97144 7.09258 6.12361 11.6848 8.71615 13.8194 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 8.14767 8.92287 4.86104 10.7082 9.73668 13.5302 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 7.58293 5.79411 5.09542 6.82817 7.73836 9.01767 numMergedOcc 0
8 mol 102 unq 1 iso 0 dist 7.58293 9.9404 6.14255 6.82817 7.73836 13.1629 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.09285 7.91231 4.24853 12.5962 8.592 7.25166 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.91629 6.44766 5.29825 9.91056 5.50364 8.97145 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.91629 6.44766 5.29825 4.56884 8.7301 6.5874 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.92602 6.20985 5.93294 9.69878 8.09373 10.8081 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.08415 7.69466 5.93294 7.80302 8.09373 10.8081 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.27605 8.81925 11.2593 5.31702 9.5045 13.9513 numMergedOcc 0
15 mol 228 unq 0 iso 0 dist 9.53671 8.81885 6.97488 4.60175 9.85855 10.2462 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.4691 5.27188 9.23512 11.224 9.35766 14.8393 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 9.65416 9.60619 5.31331 6.56932 8.66917 8.13489 numMergedOcc 0
