0 mol 46 unq 0 iso 0 dist 9.27409 8.79378 6.67753 11.0219 13.5424 8.06964 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.27409 8.79378 6.67753 5.73909 9.81193 5.2568 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.07989 8.18214 3.99506 7.13073 6.34966 4.90093 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.91502 5.75135 10.4849 12.8766 16.0395 7.41719 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 8.91502 5.75135 10.4849 10.5183 18.1718 8.93237 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 7.4518 6.58814 5.73248 12.7865 8.0955 9.15802 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 9.1687 6.58814 7.24672 12.7865 13.6523 9.15802 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.72323 8.52036 12.7291 4.70999 10.5945 9.88156 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 8.30496 9.48934 8.79381 8.34522 13.3797 7.43587 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.78469 9.48934 5.16197 8.34522 9.80549 7.43587 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 8.01453 6.41183 5.16197 7.89112 9.80549 7.43587 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 9.41073 8.76449 10.1443 12.2185 11.1438 8.62135 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.80819 6.81449 10.5863 5.13979 11.7851 7.53552 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 9.81665 6.87593 10.5688 5.23046 11.6886 7.49948 numMergedOcc 0
14 mol 237 unq 0 iso 0 dist 8.42502 9.33231 3.68966 6.26246 5.62039 5.12878 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 8.4302 9.82105 3.96862 13.0082 11.2957 9.62817 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 13.9464 8.81429 8.43724 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 5.68717 9.46576 7.28821 14.8362 14.3879 7.30584 numMergedOcc 0
18 mol 268 unq 0 iso 0 dist 8.6745 6.18877 3.75857 5.28119 11.3547 8.69312 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.43452 8.9316 9.78064 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.43452 8.9316 9.78064 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.43452 8.9316 9.78064 numMergedOcc 0
