0 mol 34 unq 0 iso 0 dist 7.71914 8.2946 6.45654 4.79 11.4795 9.33027 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.71914 9.25346 11.9626 4.79 11.4795 7.32707 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 7.17699 6.84337 4.36537 6.60603 11.8915 8.915 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 8.43814 6.47855 10.3659 4.85203 11.4675 6.24515 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.16689 6.47855 5.7332 4.85203 10.0778 6.24515 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.13782 7.21995 9.85038 5.79982 11.9396 7.70625 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 8.13782 9.62637 13.1805 5.79982 11.9396 6.01423 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.96494 9.11258 13.4366 13.9773 19.005 7.6481 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.01363 9.11258 8.88332 13.9773 15.9804 7.6481 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.86739 9.83981 9.47219 5.74742 10.3192 6.13559 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.86739 9.83981 9.47219 12.0339 9.49413 6.51395 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 9.86739 8.809 6.76585 7.68699 8.39249 5.79343 numMergedOcc 0
12 mol 114 unq 3 iso 0 dist 9.49413 6.51395 9.47219 12.0339 9.86739 9.83981 numMergedOcc 0
13 mol 114 unq 4 iso 0 dist 9.49413 6.51395 9.47219 7.50948 10.3192 6.13559 numMergedOcc 0
14 mol 114 unq 5 iso 0 dist 9.49413 8.809 13.9603 7.68699 15.6982 5.79343 numMergedOcc 0
15 mol 114 unq 6 iso 0 dist 8.39249 9.83981 14.0577 5.74742 12.6987 6.13559 numMergedOcc 0
16 mol 114 unq 7 iso 0 dist 8.39249 9.83981 14.0577 12.0339 15.6982 6.51395 numMergedOcc 0
17 mol 114 unq 8 iso 0 dist 8.39249 5.79343 6.76585 7.68699 9.86739 8.809 numMergedOcc 0
18 mol 114 unq 9 iso 0 dist 8.93623 9.83981 10.6837 5.74742 11.5163 6.13559 numMergedOcc 0
19 mol 114 unq 10 iso 0 dist 8.93623 9.83981 10.6837 12.0339 16.0876 6.51395 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 6.51096 9.0529 7.6506 7.63368 10.3514 7.55196 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 7.37901 7.55196 6.40403 7.63368 13.2154 9.0529 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 8.73171 9.0529 6.00473 7.63368 11.8293 7.55196 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 6.74517 9.19117 8.00091 7.48559 10.6794 6.26365 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 4.79852 6.99693 4.57622 6.79946 10.1855 8.99988 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.20656 9.06217 14.048 5.3528 9.40622 7.13252 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 9.40622 7.13252 14.048 5.3528 8.20656 9.06217 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 8.49841 7.43663 7.17691 9.35875 11.8534 7.94068 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 9.6101 7.43663 4.51304 9.35875 5.32183 7.94068 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 5.32183 7.94068 4.51304 9.35875 9.6101 7.43663 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 5.32183 7.22019 6.56416 9.51353 12.2448 9.25517 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.00721 8.90076 13.3255 12.6844 14.5243 6.87131 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.00721 8.90076 13.3255 10.9258 11.5207 8.09718 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 6.00721 6.62002 9.71156 12.6844 14.5243 9.69818 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 6.00721 6.62002 9.71156 10.9258 11.5207 6.73446 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.53287 9.01462 12.0657 7.98994 10.2922 8.08764 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 9.1101 7.12785 4.78857 8.07376 8.93338 6.66959 numMergedOcc 0
37 mol 243 unq 1 iso 0 dist 8.93338 6.66959 4.78857 8.07376 9.1101 7.12785 numMergedOcc 0
38 mol 250 unq 0 iso 0 dist 8.86638 5.97993 6.40578 4.81479 5.94383 6.44252 numMergedOcc 0
39 mol 250 unq 1 iso 0 dist 5.94383 6.44252 6.40578 4.81479 8.86638 5.97993 numMergedOcc 0
40 mol 250 unq 2 iso 0 dist 7.88284 6.44252 9.48491 4.81479 12.0794 5.97993 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 8.76313 8.92185 5.19922 4.85051 10.0527 7.7574 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 7.4363 8.92185 10.2977 4.85051 11.3712 7.7574 numMergedOcc 0
43 mol 280 unq 0 iso 0 dist 9.69863 7.82157 4.45514 7.20835 9.95465 5.80452 numMergedOcc 0
