0 mol 13 unq 0 iso 0 dist 5.78148 13.1699 8.00865 9.34018 3.90651 7.36251 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.78148 13.1699 8.00865 10.1736 6.34527 9.57403 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 6.26071 10.5634 8.00865 9.63135 3.90651 7.36251 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 6.26071 10.5634 8.00865 8.47514 6.34527 9.57403 numMergedOcc 0
4 mol 13 unq 4 iso 0 dist 8.43325 8.66829 8.00865 10.0455 3.90651 7.36251 numMergedOcc 0
5 mol 13 unq 5 iso 0 dist 8.43325 8.66829 8.00865 7.39086 6.34527 9.57403 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.52117 10.6223 8.21833 14.0332 11.6185 8.74852 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 13.5988 8.82208 9.82136 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 9.02318 12.144 8.12589 14.4087 5.54171 8.60089 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 9.74542 10.2478 8.12589 13.501 5.54171 8.60089 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 7.97543 6.29254 8.12589 11.7225 5.54171 8.60089 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 9.6606 10.2318 8.11592 13.5531 5.64185 8.54995 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 7.85526 6.25747 8.11592 11.6056 5.64185 8.54995 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 8.94552 12.154 8.11592 14.4504 5.64185 8.54995 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 7.25742 4.57561 7.13269 12.6419 9.98269 8.84829 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 11.3048 9.7379 8.14798 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.03442 6.43754 7.1372 10.1659 6.30626 6.38497 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 6.17052 6.48757 8.53148 13.3633 11.0571 9.30976 numMergedOcc 0
18 mol 248 unq 1 iso 0 dist 9.77666 5.51827 8.53148 11.6816 11.0571 9.30976 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 6.11473 4.23801 6.57207 10.42 7.57994 9.56376 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 8.47784 4.23801 5.2361 10.42 6.52253 9.56376 numMergedOcc 0
21 mol 252 unq 2 iso 0 dist 8.66469 9.12442 5.2361 14.4959 6.52253 9.56376 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 9.64269 4.72202 7.55161 13.7372 10.8066 9.33725 numMergedOcc 0
23 mol 272 unq 1 iso 0 dist 6.88809 8.5751 7.55161 15.7844 10.8066 9.33725 numMergedOcc 0
24 mol 272 unq 2 iso 0 dist 8.46061 8.52877 7.55161 12.4864 10.8066 9.33725 numMergedOcc 0
25 mol 272 unq 3 iso 0 dist 9.05222 5.7074 7.35433 8.97468 4.61714 6.59109 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 5.23193 8.36249 9.59817 9.15503 5.50344 8.0574 numMergedOcc 0
