0 mol 1 unq 0 iso 0 dist 7.59404 6.06669 5.55519 13.5153 13.4579 8.69605 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 8.99589 8.40835 7.05769 4.81503 11.0132 7.65802 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.38662 8.83248 6.95983 10.3387 9.76585 8.84944 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 8.58853 5.75102 4.29097 12.2856 12.1922 8.92529 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 8.60361 5.72494 11.1242 5.40051 13.979 7.66418 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 8.60361 8.70106 15.0192 5.40051 13.979 8.078 numMergedOcc 0
6 mol 103 unq 2 iso 0 dist 8.60361 8.70106 15.0192 14.0531 20.6883 6.56481 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 4.38961 6.78551 6.25432 11.7558 13.8174 8.9864 numMergedOcc 0
8 mol 136 unq 0 iso 0 dist 6.27434 9.67457 4.65485 6.29723 7.65792 8.41727 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 8.6499 8.60157 14.6035 6.76353 13.508 8.6953 numMergedOcc 0
10 mol 148 unq 1 iso 0 dist 8.6499 6.72591 14.778 6.76353 13.508 9.18753 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 8.75339 8.59359 14.6751 6.65519 13.5808 8.65967 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 8.75339 6.80192 14.922 6.65519 13.5808 9.15244 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.63375 9.66591 6.32826 13.3178 12.8189 9.96586 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 7.99105 9.66591 11.2056 13.3178 17.943 9.96586 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.8024 6.6514 11.1988 8.3419 11.8028 7.20545 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.82838 4.90334 5.55359 7.84606 13.5496 9.52029 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 8.17025 4.90334 4.72843 7.84606 10.6489 9.52029 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 6.22499 9.66533 9.18058 13.587 12.2006 4.36421 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 6.54042 7.6174 9.96567 5.92917 9.03261 8.74399 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 8.21225 9.73318 7.15398 4.11548 9.88044 8.51703 numMergedOcc 0
21 mol 250 unq 1 iso 0 dist 8.21225 5.75551 6.13352 4.11548 9.88044 5.07895 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.37648 9.49732 10.1526 14.4507 17.5626 8.54422 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 6.37648 9.49732 10.1526 10.4459 14.7663 7.67473 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 9.63988 8.0652 15.2084 6.40983 14.403 7.60807 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 5.33054 6.89455 7.83784 9.33643 13.8701 9.28067 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 5.33054 8.821 5.37953 12.3485 12.7983 9.243 numMergedOcc 0
27 mol 283 unq 2 iso 0 dist 5.33054 9.82337 12.5084 9.33643 13.8701 5.71075 numMergedOcc 0
28 mol 283 unq 3 iso 0 dist 8.56376 8.07626 7.83784 6.76599 13.8701 9.28067 numMergedOcc 0
29 mol 283 unq 4 iso 0 dist 8.56376 6.3448 12.5084 6.76599 13.8701 5.71075 numMergedOcc 0
