0 mol 58 unq 0 iso 0 dist 9.9648 11.5787 6.96494 12.8759 6.44201 6.50297 numMergedOcc 0
1 mol 105 unq 0 iso 0 dist 6.88308 4.27067 6.52726 13.1517 10.882 9.12363 numMergedOcc 0
2 mol 105 unq 1 iso 0 dist 6.88308 4.27067 6.52726 10.5474 11.3312 6.50017 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.27701 5.04712 9.49413 11.6254 12.0339 9.86739 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 6.06039 13.312 9.86739 15.8301 12.0339 9.49413 numMergedOcc 0
5 mol 140 unq 0 iso 0 dist 9.12189 8.09964 7.49546 13.705 10.1725 5.63811 numMergedOcc 0
6 mol 140 unq 1 iso 0 dist 5.8277 6.57826 7.49546 11.5874 10.1725 5.63811 numMergedOcc 0
7 mol 213 unq 0 iso 0 dist 7.48151 11.1543 6.85195 8.58039 4.8814 6.17451 numMergedOcc 0
8 mol 213 unq 1 iso 0 dist 8.58039 11.1543 6.17451 7.48151 4.8814 6.85195 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 8.7572 5.14615 8.75834 14.4205 15.6443 9.36396 numMergedOcc 0
10 mol 228 unq 0 iso 0 dist 6.66395 7.5464 7.46689 13.5359 8.57673 8.37287 numMergedOcc 0
11 mol 228 unq 1 iso 0 dist 8.2286 10.7923 8.37287 13.3836 8.57673 7.46689 numMergedOcc 0
12 mol 228 unq 2 iso 0 dist 6.51052 7.64327 7.09766 13.2949 8.22089 8.07174 numMergedOcc 0
13 mol 228 unq 3 iso 0 dist 8.5965 10.784 8.07174 13.1883 8.22089 7.09766 numMergedOcc 0
14 mol 250 unq 0 iso 0 dist 9.45903 4.82553 8.86638 8.51531 4.81479 5.94383 numMergedOcc 0
15 mol 250 unq 1 iso 0 dist 9.45903 4.82553 8.86638 9.76155 9.82907 8.16469 numMergedOcc 0
16 mol 250 unq 2 iso 0 dist 8.51531 4.82553 5.94383 9.45903 4.81479 8.86638 numMergedOcc 0
17 mol 250 unq 3 iso 0 dist 8.51531 4.82553 5.94383 9.76155 6.17591 8.16469 numMergedOcc 0
18 mol 250 unq 4 iso 0 dist 8.51531 11.4033 7.88284 9.76155 6.17591 9.88279 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.60653 3.83813 7.4363 11.9494 6.24853 8.76313 numMergedOcc 0
20 mol 270 unq 0 iso 0 dist 9.91826 14.286 9.16073 14.2045 7.61559 8.39167 numMergedOcc 0
21 mol 270 unq 1 iso 0 dist 9.91826 7.58893 6.79822 14.2045 7.61559 9.17227 numMergedOcc 0
