0 mol 9 unq 0 iso 0 dist 8.79695 9.99657 11.0672 6.53202 13.765 8.48677 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.2505 9.99657 11.7447 6.53202 9.8457 8.48677 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.10646 7.42669 13.3658 4.91484 8.8018 9.52474 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 9.76721 7.42669 5.92112 4.91484 13.3976 9.52474 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 7.9399 8.2746 6.71999 4.47138 9.854 7.56205 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 7.9399 8.2746 6.71999 10.9596 9.1216 4.74544 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.6176 5.51406 6.59567 10.2967 15.8657 9.30539 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.43487 9.66068 8.69658 16.3524 16.0262 8.8822 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 9.43487 8.03783 11.1416 16.3524 16.0262 9.66219 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.29634 9.34823 6.65893 5.3154 6.16081 6.73586 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.58803 9.04845 5.21958 14.5617 10.6168 6.16242 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.58803 9.04845 5.21958 13.7612 8.75049 5.87634 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 9.96967 7.94325 5.21958 11.4104 10.6168 6.16242 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 9.96967 7.94325 5.21958 12.9605 8.75049 5.87634 numMergedOcc 0
14 mol 133 unq 4 iso 0 dist 6.31523 6.72323 5.21958 10.2385 10.6168 6.16242 numMergedOcc 0
15 mol 133 unq 5 iso 0 dist 6.31523 6.72323 5.21958 4.64588 8.75049 5.87634 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 9.2747 6.21194 9.23265 9.22906 17.5872 9.61462 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 8.45343 6.21194 7.86006 9.22906 15.4307 9.61462 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 6.38964 8.15381 6.97126 5.70669 7.03546 8.07687 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 8.15287 7.13099 10.8057 5.0241 7.68645 7.59632 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 7.11512 8.42502 5.31202 10.0582 13.0367 9.20822 numMergedOcc 0
