0 mol 14 unq 0 iso 0 dist 9.42142 8.13983 7.00835 3.77264 10.2498 6.45858 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.2159 5.5814 5.39896 7.5925 11.6463 6.88974 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.93093 5.5814 8.16648 7.5925 13.0384 6.88974 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 6.85995 13.222 9.96265 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 7.85573 7.78905 6.07691 4.19085 11.4967 9.70459 numMergedOcc 0
5 mol 44 unq 2 iso 0 dist 7.85573 7.78905 6.07691 6.10468 6.21423 9.44909 numMergedOcc 0
6 mol 44 unq 3 iso 0 dist 6.21423 9.44909 6.07691 11.3037 13.222 9.96265 numMergedOcc 0
7 mol 44 unq 4 iso 0 dist 6.21423 9.44909 6.07691 10.2017 11.4967 9.70459 numMergedOcc 0
8 mol 44 unq 5 iso 0 dist 6.21423 9.44909 6.07691 6.10468 7.85573 7.78905 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 3.60121 5.58384 9.55751 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 5.58384 9.55751 6.34264 3.60121 5.70814 7.7978 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 8.61908 15.5461 7.52103 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 6.88786 7.51075 7.1369 10.9344 12.1634 8.04256 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 9.87177 8.06168 4.49951 11.1443 6.70925 8.67532 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.70925 8.67532 4.49951 11.1443 9.87177 8.06168 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 9.06225 7.47794 5.31439 8.17321 13.0133 8.09199 numMergedOcc 0
16 mol 86 unq 0 iso 0 dist 7.91639 8.88225 10.9597 7.3718 12.3576 9.49308 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 9.47957 9.72689 9.78625 14.8895 14.7543 7.74197 numMergedOcc 0
18 mol 88 unq 1 iso 0 dist 9.4046 9.72689 12.4767 14.8895 15.364 7.74197 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 5.33436 8.31061 5.77949 numMergedOcc 0
20 mol 180 unq 1 iso 0 dist 5.43774 9.88732 9.76368 6.10537 9.91767 8.68403 numMergedOcc 0
21 mol 180 unq 2 iso 0 dist 5.43774 9.88732 9.76368 12.986 13.9189 5.80441 numMergedOcc 0
22 mol 180 unq 3 iso 0 dist 8.31061 5.77949 9.76368 5.33436 5.43774 9.88732 numMergedOcc 0
23 mol 180 unq 4 iso 0 dist 8.31061 5.77949 9.76368 3.984 9.91767 8.68403 numMergedOcc 0
24 mol 180 unq 5 iso 0 dist 8.31061 5.77949 9.76368 8.49238 13.9189 5.80441 numMergedOcc 0
25 mol 212 unq 0 iso 0 dist 7.73701 8.062 9.7586 9.449 14.4767 5.87223 numMergedOcc 0
26 mol 212 unq 1 iso 0 dist 7.73701 8.062 9.7586 7.17541 14.1474 8.70011 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 7.0795 9.86371 9.65126 3.3846 9.76251 9.13552 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 9.76251 9.13552 9.65126 3.3846 7.0795 9.86371 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 6.56262 7.50424 4.93539 14.7028 11.2966 7.46434 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 6.44932 7.08539 5.47633 13.6805 14.4541 9.11256 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 5.00891 9.25424 9.94315 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 9.46728 8.59074 16.5687 6.21773 14.7635 6.2365 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 9.91921 6.2365 6.62361 10.4116 15.9247 9.94315 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 9.91921 6.2365 6.62361 6.21773 14.2562 8.59074 numMergedOcc 0
35 mol 238 unq 4 iso 0 dist 8.20243 6.2365 5.96552 10.4116 15.6563 9.94315 numMergedOcc 0
36 mol 238 unq 5 iso 0 dist 8.20243 6.2365 5.96552 6.21773 13.2039 8.59074 numMergedOcc 0
37 mol 241 unq 0 iso 0 dist 8.15897 9.18476 4.86437 10.5872 12.3126 8.40773 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 4.32316 8.43448 8.94023 numMergedOcc 0
39 mol 249 unq 1 iso 0 dist 8.43448 8.94023 9.82483 4.32316 7.279 6.37672 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 8.25083 9.53313 6.29899 3.73926 8.34389 7.26542 numMergedOcc 0
41 mol 287 unq 1 iso 0 dist 8.34389 7.26542 6.29899 3.73926 8.25083 9.53313 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 8.25083 9.53313 6.29899 3.73926 8.34389 7.26542 numMergedOcc 0
43 mol 288 unq 1 iso 0 dist 8.34389 7.26542 6.29899 3.73926 8.25083 9.53313 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 8.25083 9.53313 6.29899 3.73926 8.34389 7.26542 numMergedOcc 0
45 mol 289 unq 1 iso 0 dist 8.34389 7.26542 6.29899 3.73926 8.25083 9.53313 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 8.92332 5.75596 13.9754 13.4368 22.3536 9.6898 numMergedOcc 0
