0 mol 0 unq 0 iso 0 dist 6.3267 8.31596 8.8123 6.0597 8.34244 13.1109 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.2199 6.9513 6.27573 6.0397 9.57198 12.164 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.2199 9.16116 11.1737 6.0397 9.57198 14.1469 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.2199 8.47109 10.9842 6.0397 9.57198 10.1029 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.48825 7.18766 9.61004 7.14527 4.62858 11.9741 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.13782 8.59109 14.5783 9.85038 7.21995 17.349 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 8.13782 8.59109 14.5783 13.1805 9.62637 18.7224 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.96494 6.50297 6.44201 13.4366 9.11258 12.7653 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 6.50297 6.96494 6.44201 11.3634 8.71468 14.2645 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.86739 8.39249 7.68699 6.76585 8.809 5.79343 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.86739 8.93623 11.9022 6.76585 8.809 13.2529 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 9.86739 9.49413 12.0339 9.47219 9.83981 6.51395 numMergedOcc 0
12 mol 114 unq 3 iso 0 dist 9.49413 9.86739 12.0339 9.47219 6.51395 9.83981 numMergedOcc 0
13 mol 114 unq 4 iso 0 dist 8.39249 9.86739 7.68699 6.76585 5.79343 8.809 numMergedOcc 0
14 mol 114 unq 5 iso 0 dist 8.39249 8.93623 10.0883 6.76585 5.79343 13.2529 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 6.40036 7.99631 9.37623 9.65908 7.52142 14.8114 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.2135 8.55681 10.8776 8.7258 5.26989 14.6318 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 6.2135 8.55681 10.8776 6.67552 7.76442 11.0413 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.20656 9.40622 5.3528 14.048 9.06217 7.13252 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.40622 8.20656 5.3528 14.048 7.13252 9.06217 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.75834 7.51827 14.0478 17.6349 9.47117 23.4039 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 7.51827 8.75834 14.0478 6.16433 7.73748 13.124 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 7.95168 6.152 8.55671 9.75331 7.57454 14.0608 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 9.6101 5.32183 9.35875 4.51304 7.43663 7.94068 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 5.32183 9.6101 9.35875 4.51304 7.94068 7.43663 numMergedOcc 0
25 mol 234 unq 2 iso 0 dist 5.32183 9.6101 9.35875 6.56416 7.22019 9.28101 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 9.1101 8.93338 8.07376 4.78857 7.12785 6.66959 numMergedOcc 0
27 mol 243 unq 1 iso 0 dist 8.93338 9.1101 8.07376 4.78857 6.66959 7.12785 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 8.86638 5.94383 4.81479 6.40578 5.97993 6.44252 numMergedOcc 0
29 mol 250 unq 1 iso 0 dist 8.86638 8.16469 9.82907 6.40578 5.97993 12.0227 numMergedOcc 0
30 mol 250 unq 2 iso 0 dist 5.94383 7.88284 6.59053 5.66455 6.28538 10.8727 numMergedOcc 0
31 mol 250 unq 3 iso 0 dist 5.94383 8.86638 4.81479 6.40578 6.44252 5.97993 numMergedOcc 0
32 mol 250 unq 4 iso 0 dist 5.94383 8.16469 6.17591 6.40578 6.44252 12.0227 numMergedOcc 0
33 mol 250 unq 5 iso 0 dist 8.16469 9.88279 6.59053 4.45194 6.28538 10.8727 numMergedOcc 0
34 mol 250 unq 6 iso 0 dist 7.88284 9.88279 6.17591 9.48491 6.44252 12.0227 numMergedOcc 0
35 mol 270 unq 0 iso 0 dist 9.16073 6.79822 6.73396 6.0625 7.89388 10.1309 numMergedOcc 0
36 mol 270 unq 1 iso 0 dist 8.39167 9.17227 6.73396 5.91256 7.89388 10.1309 numMergedOcc 0
