0 mol 10 unq 0 iso 0 dist 9.1125 4.55975 8.03458 10.0116 5.3273 8.61887 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.05728 4.91237 5.35252 7.40694 6.39496 8.80801 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.1662 3.86843 6.49343 10.8618 8.56126 7.24597 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 6.97882 6.27329 5.62336 5.87906 5.6513 8.29967 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 6.97882 6.27329 5.62336 10.4154 6.69874 8.5776 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 9.4868 6.27329 5.63748 5.87906 7.41574 8.29967 numMergedOcc 0
6 mol 87 unq 3 iso 0 dist 9.4868 6.27329 5.63748 10.4154 3.66319 8.5776 numMergedOcc 0
7 mol 87 unq 4 iso 0 dist 7.7858 7.88443 5.62336 12.9552 5.6513 8.29967 numMergedOcc 0
8 mol 87 unq 5 iso 0 dist 7.7858 7.88443 5.62336 13.6844 6.69874 8.5776 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 6.67306 5.7998 9.53895 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 13.587 5.7998 9.53895 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 14.4254 9.81852 9.62885 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.96416 5.9683 5.79195 11.3584 7.72261 6.00667 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.96416 5.9683 5.79195 10.8212 4.27464 8.00919 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 7.17051 5.9683 9.2759 11.3584 15.0617 6.00667 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 7.17051 5.9683 9.2759 10.8212 14.8239 8.00919 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 5.9962 5.9683 8.76088 11.3584 13.0543 6.00667 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 5.9962 5.9683 8.76088 10.8212 8.08082 8.00919 numMergedOcc 0
18 mol 133 unq 6 iso 0 dist 8.61448 13.8877 8.76088 15.8112 13.0543 6.00667 numMergedOcc 0
19 mol 133 unq 7 iso 0 dist 8.61448 13.8877 8.76088 13.083 8.08082 8.00919 numMergedOcc 0
20 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 8.27507 6.5333 8.66615 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 9.5942 4.31761 8.52996 13.5669 9.84803 9.96919 numMergedOcc 0
22 mol 244 unq 0 iso 0 dist 9.53211 11.4783 7.43391 9.91271 6.33602 9.59814 numMergedOcc 0
23 mol 244 unq 1 iso 0 dist 9.53211 4.30655 7.79787 9.91271 6.33602 8.92083 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 5.43868 9.96947 8.51703 14.6446 11.7643 8.98805 numMergedOcc 0
25 mol 250 unq 1 iso 0 dist 9.80833 9.96947 5.07895 14.6446 5.64152 8.98805 numMergedOcc 0
26 mol 250 unq 2 iso 0 dist 9.54274 8.6355 8.69437 14.503 9.42974 7.11282 numMergedOcc 0
27 mol 250 unq 3 iso 0 dist 8.65735 7.30402 8.69437 13.18 9.42974 7.11282 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 9.81689 10.531 7.52632 6.98812 5.57706 9.74602 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 16.8178 15.7187 8.67354 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 9.36806 4.39397 9.39714 11.3 15.1918 7.96955 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 7.51446 9.47559 9.39714 17.0772 15.1918 7.96955 numMergedOcc 0
32 mol 286 unq 0 iso 0 dist 8.97304 5.95493 6.83763 13.0279 5.69037 8.98417 numMergedOcc 0
33 mol 286 unq 1 iso 0 dist 8.97304 5.95493 6.83763 13.4674 6.54635 8.60873 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 6.76192 8.37461 6.96774 10.8411 4.38561 8.05825 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 6.76192 8.37461 6.96774 10.8411 4.38561 8.05825 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 6.76192 8.37461 6.96774 10.8411 4.38561 8.05825 numMergedOcc 0
37 mol 293 unq 0 iso 0 dist 7.67909 5.86662 7.41524 12.3525 6.64058 8.98365 numMergedOcc 0
38 mol 293 unq 1 iso 0 dist 6.83404 5.86662 6.42608 12.3525 10.2071 8.98365 numMergedOcc 0
39 mol 293 unq 2 iso 0 dist 6.04186 6.74585 4.72125 11.3563 9.12667 8.98365 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 5.71656 8.43044 9.22572 10.7501 6.79888 8.05484 numMergedOcc 0
