0 mol 28 unq 0 iso 0 dist 8.06843 5.44908 9.74532 11.1518 7.431 8.91922 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.56722 10.8301 8.53424 18.1414 12.7911 7.82759 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.81662 3.8412 3.77542 10.1202 6.75911 7.23371 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.77802 3.42062 9.05737 8.06519 9.58381 7.32699 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.77802 3.42062 9.05737 7.54027 7.61744 6.45933 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 12.5015 5.80317 4.45433 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 5.09725 4.91617 7.60619 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 8.51084 7.42165 4.91212 11.9145 9.05868 8.69371 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 5.53271 7.42165 9.34782 11.9145 9.16288 8.69371 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 6.98134 4.26914 6.55227 10.3957 4.58282 8.0237 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 8.55413 9.53399 6.55227 12.4295 4.58282 8.0237 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 16.0899 9.39224 8.0933 numMergedOcc 0
12 mol 123 unq 1 iso 0 dist 8.09682 3.61945 5.56127 11.2204 9.43573 8.0933 numMergedOcc 0
13 mol 123 unq 2 iso 0 dist 8.35926 3.61945 8.03692 11.2204 9.39224 8.0933 numMergedOcc 0
14 mol 123 unq 3 iso 0 dist 7.41568 3.61945 5.36214 11.2204 9.35902 8.0933 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.14978 9.809 4.88514 16.6245 9.45125 7.57472 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 10.2474 6.68581 8.92048 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 5.39386 6.64419 8.25768 11.787 13.164 8.84926 numMergedOcc 0
18 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 10.2474 4.60169 8.92048 numMergedOcc 0
19 mol 147 unq 3 iso 0 dist 5.79819 6.64419 8.71702 11.787 11.3679 8.84926 numMergedOcc 0
20 mol 151 unq 0 iso 0 dist 5.91643 6.07474 9.37533 13.6789 16.5297 8.16646 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 9.40603 3.75017 8.65645 13.6321 12.7022 9.95907 numMergedOcc 0
22 mol 176 unq 1 iso 0 dist 8.00223 3.84631 6.85902 8.36606 6.27598 9.95907 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 6.45095 6.41178 7.83831 8.25961 6.44449 5.22629 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 9.11501 9.99682 7.04263 11.0323 5.76999 4.20369 numMergedOcc 0
25 mol 284 unq 0 iso 0 dist 5.2862 5.88619 5.6964 9.91812 7.60413 6.61811 numMergedOcc 0
26 mol 284 unq 1 iso 0 dist 5.31097 4.57529 5.6964 10.43 7.60413 6.61811 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.4017 10.326 7.29668 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 9.14217 9.84883 4.68668 19.0825 11.8739 9.57637 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.4017 10.326 7.29668 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 9.14217 9.84883 4.68668 19.0825 11.8739 9.57637 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.4017 10.326 7.29668 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 9.14217 9.84883 4.68668 19.0825 11.8739 9.57637 numMergedOcc 0
