0 mol 53 unq 0 iso 0 dist 6.22911 5.94178 7.08383 10.4416 6.6473 6.5368 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 6.76484 7.23629 7.08383 9.05584 6.6473 6.5368 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 9.49502 7.0143 8.48514 6.13072 5.69981 3.64781 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 9.49502 7.71546 8.57785 6.13072 5.69981 3.82947 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.69386 3.91116 5.78968 8.56267 9.51893 5.56988 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 6.69386 3.91116 5.78968 7.34856 8.47221 3.71033 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.24862 5.12943 9.66549 10.6271 6.24296 13.0679 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.24862 5.12943 9.66549 13.7977 6.83218 15.4283 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 9.19143 11.301 7.62621 5.92311 6.64714 6.44712 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 9.23907 15.2345 7.62621 10.4112 6.64714 6.44712 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.76517 15.9692 8.84466 16.5528 9.43355 3.91263 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.76517 15.9692 8.84466 11.6928 5.64141 5.59024 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.76517 15.9692 8.84466 8.79773 5.46186 12.9872 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 7.76517 10.9626 9.2948 16.5528 9.43355 15.8131 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 7.76517 10.9626 9.2948 11.6928 5.64141 13.6266 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 7.76517 10.9626 9.2948 8.79773 5.46186 5.17052 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.56189 8.12636 7.76856 7.91466 5.82174 9.35913 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.46429 5.88166 4.85577 5.12552 7.81696 3.85767 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 8.3417 6.26198 4.85577 8.73003 7.81696 3.85767 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 6.25295 6.9408 8.78758 7.12222 9.90216 3.58134 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 9.24924 9.63141 8.28068 7.95433 8.106 3.77125 numMergedOcc 0
21 mol 283 unq 1 iso 0 dist 9.72248 10.2512 8.28068 7.04425 8.106 3.77125 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 7.80478 13.0637 8.19213 5.96447 9.98518 10.8866 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 7.80478 7.33382 5.80664 5.96447 9.98518 7.54288 numMergedOcc 0
24 mol 287 unq 2 iso 0 dist 9.22409 7.05717 8.19213 16.1319 9.98518 10.8866 numMergedOcc 0
25 mol 287 unq 3 iso 0 dist 9.22409 10.4033 5.80664 16.1319 9.98518 7.54288 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.80478 13.0637 8.19213 5.96447 9.98518 10.8866 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 7.80478 7.33382 5.80664 5.96447 9.98518 7.54288 numMergedOcc 0
28 mol 288 unq 2 iso 0 dist 9.22409 7.05717 8.19213 16.1319 9.98518 10.8866 numMergedOcc 0
29 mol 288 unq 3 iso 0 dist 9.22409 10.4033 5.80664 16.1319 9.98518 7.54288 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.80478 13.0637 8.19213 5.96447 9.98518 10.8866 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 7.80478 7.33382 5.80664 5.96447 9.98518 7.54288 numMergedOcc 0
32 mol 289 unq 2 iso 0 dist 9.22409 7.05717 8.19213 16.1319 9.98518 10.8866 numMergedOcc 0
33 mol 289 unq 3 iso 0 dist 9.22409 10.4033 5.80664 16.1319 9.98518 7.54288 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 7.78353 6.32057 5.76223 15.0419 9.18386 11.4255 numMergedOcc 0
