0 mol 26 unq 0 iso 0 dist 6.93801 6.61393 7.90721 8.98417 5.45023 6.7142 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 7.89705 6.02913 7.56029 6.07294 4.85777 6.21128 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 7.89705 6.02913 7.56029 11.4581 4.02147 9.57024 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.14178 4.93697 5.17145 6.82707 9.43915 8.4701 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.07578 5.21981 8.04168 9.21479 10.6438 6.5551 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.22996 7.25403 7.0561 14.1155 13.0818 6.87506 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.84146 17.7274 9.57341 21.4947 14.8901 8.67537 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 6.31314 5.93188 9.82982 12.4333 13.1849 8.71789 numMergedOcc 0
8 mol 154 unq 1 iso 0 dist 6.31314 5.93188 9.82982 10.217 11.4511 5.2693 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 7.24115 4.87865 6.11331 13.5532 10.8263 9.97968 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.67811 9.71205 8.17226 10.8205 5.80425 8.92115 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.63008 5.39223 5.53324 5.4455 5.92931 4.19371 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 8.63008 11.8568 6.72182 8.09776 7.50057 9.00322 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 5.46768 4.79025 6.34234 9.25935 6.0634 6.22742 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 5.46768 6.01032 7.87972 13.1745 11.4252 9.24936 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 8.83751 3.28983 6.43209 6.91534 13.3917 8.95511 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 8.83751 3.28983 6.43209 9.05892 6.77384 5.85002 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 8.77688 3.28983 8.48769 6.91534 9.38172 8.95511 numMergedOcc 0
18 mol 239 unq 3 iso 0 dist 8.77688 3.28983 8.48769 9.05892 11.9537 5.85002 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.54084 13.8859 9.50634 10.4828 7.16782 9.31888 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.98606 9.91008 8.20485 9.54381 8.62248 9.63518 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.84798 6.08238 7.37478 5.94449 5.89415 8.98854 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 8.84798 6.08238 7.37478 7.66302 15.1378 9.42255 numMergedOcc 0
23 mol 279 unq 2 iso 0 dist 7.5355 4.91802 5.81528 9.29922 8.43508 7.17958 numMergedOcc 0
24 mol 279 unq 3 iso 0 dist 7.88343 9.35656 5.81528 10.1555 8.43508 7.17958 numMergedOcc 0
