0 mol 11 unq 0 iso 0 dist 6.56599 5.19841 5.43238 12.6523 9.09091 7.5901 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35021 5.11518 5.43238 12.8869 8.73067 8.17605 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.83017 8.70893 8.43814 9.82078 6.47855 10.3659 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.83017 6.82468 8.16689 9.82078 6.47855 5.7332 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 5.1736 5.93243 8.43814 6.8989 6.47855 10.3659 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 5.1736 5.03446 8.16689 6.8989 6.47855 5.7332 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.9648 11.5787 6.96494 4.92118 9.11258 13.4366 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.9648 6.06895 7.01363 4.92118 9.11258 8.88332 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 5.1488 4.56868 8.4517 8.95689 9.32552 6.90629 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.27701 5.04712 9.49413 9.72019 6.51395 9.47219 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 6.06039 13.312 9.86739 11.1547 9.83981 9.47219 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 6.06039 10.7702 8.39249 11.1547 9.83981 14.0577 numMergedOcc 0
12 mol 114 unq 3 iso 0 dist 6.06039 5.06074 8.93623 11.1547 9.83981 10.6837 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 7.46812 12.3706 9.94276 9.68947 6.51868 6.00607 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.46812 12.3706 9.94276 5.10826 7.34698 12.0514 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 7.46812 12.9387 9.05357 9.68947 6.51868 10.2267 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 7.46812 12.9387 9.05357 5.10826 7.34698 14.5639 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 7.46812 5.28979 5.99299 9.68947 6.51868 5.59913 numMergedOcc 0
18 mol 133 unq 5 iso 0 dist 7.46812 5.28979 5.99299 5.10826 7.34698 6.27692 numMergedOcc 0
19 mol 157 unq 0 iso 0 dist 8.18826 10.1862 7.23499 6.22449 6.455 8.17657 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 9.71921 15.9181 9.79554 4.24035 8.41245 12.6533 numMergedOcc 0
21 mol 173 unq 1 iso 0 dist 9.71921 15.9181 9.79554 5.66096 6.64779 15.1434 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.89833 6.72205 8.20656 5.51195 5.95304 4.43678 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 5.89833 10.7557 9.40622 5.51195 5.95304 6.03415 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 6.35305 9.31022 5.89018 4.92804 7.10526 7.34293 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 9.23348 11.6466 5.89018 5.04697 7.10526 7.34293 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 5.95968 5.09846 6.94853 4.23022 9.92417 6.08084 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 9.94653 15.4248 9.86861 5.0625 7.10413 10.4271 numMergedOcc 0
28 mol 232 unq 1 iso 0 dist 7.97572 13.097 9.86861 4.86592 7.10413 10.4271 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.61559 5.2539 6.00721 7.39114 7.04753 4.38002 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 5.58605 9.21335 8.53287 5.7899 9.01462 12.0657 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 9.45903 4.82553 8.86638 8.13148 5.97993 6.40578 numMergedOcc 0
32 mol 250 unq 1 iso 0 dist 8.51531 4.82553 5.94383 8.13148 6.44252 6.40578 numMergedOcc 0
33 mol 250 unq 2 iso 0 dist 8.51531 11.4033 7.88284 8.13148 6.44252 9.48491 numMergedOcc 0
