0 mol 37 unq 0 iso 0 dist 7.47638 11.746 5.98359 4.87451 6.84257 8.49523 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 7.47638 11.746 5.98359 12.8406 9.21102 4.23663 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.55825 5.73953 7.12259 5.83937 9.52298 9.5489 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 9.30086 8.83392 7.12259 7.50884 9.52298 9.5489 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 4.22514 9.45804 6.10175 4.11549 6.29755 12.1689 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 4.22514 9.45804 6.10175 8.12687 7.4038 11.8364 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.52142 9.80639 8.06263 4.3044 5.48997 6.94076 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.87984 15.5171 8.87856 16.6598 7.88143 6.62867 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.87984 15.5171 8.87856 12.958 6.62952 11.2334 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 8.87984 6.06642 6.2491 16.6598 7.88143 12.7928 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.87984 6.06642 6.2491 12.958 6.62952 7.89992 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 9.0584 6.06642 3.59451 12.958 4.3521 7.89992 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 6.48198 3.75745 8.26758 5.92777 4.7588 5.33623 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 8.6659 7.05715 8.23566 6.39308 9.39801 12.5118 numMergedOcc 0
14 mol 99 unq 1 iso 0 dist 8.6659 7.05715 8.23566 6.04335 4.82346 4.74328 numMergedOcc 0
15 mol 99 unq 2 iso 0 dist 8.6659 7.05715 8.23566 6.13115 8.89165 6.55763 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 5.37345 7.24416 8.28948 10.1051 8.88401 5.07523 numMergedOcc 0
17 mol 105 unq 0 iso 0 dist 5.36878 4.94012 9.87685 7.72197 9.96269 8.60755 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 6.56066 13.1203 8.592 12.0473 8.75093 5.53478 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 9.61698 8.00525 9.40608 10.9773 9.63161 5.18899 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 8.6371 4.56374 9.74209 4.46614 6.55217 4.8476 numMergedOcc 0
21 mol 140 unq 1 iso 0 dist 8.6371 4.56374 9.74209 4.74205 7.21686 8.53976 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.45309 7.53305 5.13722 4.62365 8.49577 8.78766 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 7.13192 6.05626 9.16852 3.79373 7.71716 3.53549 numMergedOcc 0
24 mol 203 unq 0 iso 0 dist 9.5818 9.75724 6.8395 4.90371 7.72498 5.52709 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 8.37114 11.9532 9.5045 8.84473 5.17916 6.77642 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 9.69083 5.0114 8.86628 6.60289 9.42877 6.1732 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 9.85256 7.07676 8.78008 4.72952 7.80073 8.20191 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 9.26044 10.7857 8.33254 5.22517 8.92121 11.8831 numMergedOcc 0
29 mol 249 unq 0 iso 0 dist 6.23348 4.77887 6.04688 6.0731 5.70674 4.88298 numMergedOcc 0
30 mol 255 unq 0 iso 0 dist 8.17286 4.80227 6.61193 4.52659 7.16286 6.41518 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 7.96325 9.47962 8.34471 14.2761 9.53832 8.44005 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 7.22085 8.52263 9.64886 6.34679 8.96253 14.3335 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 7.11605 11.1583 9.047 7.87626 6.38295 14.0927 numMergedOcc 0
34 mol 280 unq 1 iso 0 dist 7.11605 15.3737 9.9227 7.87626 6.38295 11.4101 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 7.11407 10.6738 6.15136 4.88654 6.53354 6.84734 numMergedOcc 0
36 mol 283 unq 1 iso 0 dist 7.11407 10.6738 6.15136 11.4035 6.93798 4.67572 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.72085 13.563 8.75275 5.05806 9.84741 13.9343 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.72085 13.563 8.75275 5.05806 9.84741 13.9343 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.72085 13.563 8.75275 5.05806 9.84741 13.9343 numMergedOcc 0
