0 mol 12 unq 0 iso 0 dist 8.8993 9.41745 6.7002 4.13477 6.91627 7.8865 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.31362 7.16036 5.68567 4.61354 9.16551 7.78905 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 7.89712 8.59022 10.857 5.57404 7.98624 13.5947 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 6.96052 8.54284 10.857 7.08048 7.98624 13.5947 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 6.22911 8.61163 4.43656 5.94178 7.08383 11.1068 numMergedOcc 0
5 mol 53 unq 1 iso 0 dist 6.76484 7.80805 4.43656 7.23629 7.08383 11.1068 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 8.29606 9.99643 6.63565 3.60123 9.00513 8.46556 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 8.09075 9.99643 9.0032 3.60123 8.64665 8.46556 numMergedOcc 0
8 mol 61 unq 2 iso 0 dist 8.09075 9.99643 9.0032 14.9386 9.42869 18.1412 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.23907 7.28711 5.27581 15.2345 7.62621 12.9007 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 5.33139 6.59361 5.33778 4.88877 8.36172 9.73174 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.71654 4.93035 4.37081 9.12635 6.65932 10.0768 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.71654 9.75558 6.23566 9.12635 6.65932 10.6673 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 8.54239 8.66982 4.5072 6.434 7.6166 8.65108 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 7.62006 4.93984 7.01116 6.01114 9.38623 8.43038 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.46429 5.63906 7.37734 5.88166 4.85577 8.03995 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 7.26513 7.38022 8.5119 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 6.43416 6.22077 9.70376 7.26513 7.38022 13.3259 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.24101 7.2527 10.2134 12.8379 8.92585 10.9696 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.24101 7.13194 5.88384 12.8379 8.92585 13.4956 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.8256 7.22378 6.62225 6.19911 8.6856 10.2123 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 9.8256 7.22378 6.62225 8.37509 9.98868 10.6749 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 9.37522 8.09021 9.772 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 7.07268 8.27977 4.51764 4.0145 8.53542 7.74162 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 9.24924 7.92491 7.62155 9.63141 8.28068 12.6822 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 6.81636 9.22576 9.91979 8.98504 9.37044 16.8196 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 6.81636 9.22576 9.91979 8.98504 9.37044 16.8196 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 6.81636 9.22576 9.91979 8.98504 9.37044 16.8196 numMergedOcc 0
