0 mol 37 unq 0 iso 0 dist 8.99589 8.40835 7.05769 9.7385 10.8321 12.0019 4.81503 11.0132 7.65802 13.6592 numMergedOcc 0
1 mol 103 unq 0 iso 0 dist 8.60361 5.72494 11.1242 7.85115 8.11883 11.4876 5.40051 13.979 7.66418 11.5009 numMergedOcc 0
2 mol 103 unq 1 iso 0 dist 8.60361 8.70106 15.0192 7.85115 8.11883 11.2795 5.40051 13.979 8.078 11.5009 numMergedOcc 0
3 mol 103 unq 2 iso 0 dist 8.60361 8.70106 15.0192 7.85115 8.11883 11.2795 14.0531 20.6883 6.56481 15.0168 numMergedOcc 0
4 mol 136 unq 0 iso 0 dist 6.27434 9.67457 4.65485 7.75661 3.84229 6.80938 6.29723 7.65792 8.41727 11.0132 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 8.6499 8.60157 14.6035 7.91749 15.1552 3.54257 6.76353 13.508 8.6953 9.0735 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 8.6499 6.72591 14.778 7.91749 15.1552 8.03052 6.76353 13.508 9.18753 9.0735 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 8.75339 8.59359 14.6751 7.96309 15.2935 3.59609 6.65519 13.5808 8.65967 9.03593 numMergedOcc 0
8 mol 150 unq 1 iso 0 dist 8.75339 6.80192 14.922 7.96309 15.2935 8.06512 6.65519 13.5808 9.15244 9.03593 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 9.8024 6.6514 11.1988 8.87575 3.86842 11.6251 8.3419 11.8028 7.20545 13.5665 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 8.82838 4.90334 5.55359 9.06088 10.7261 6.08881 7.84606 13.5496 9.52029 10.7507 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 8.17025 4.90334 4.72843 9.06088 9.28209 6.08881 7.84606 10.6489 9.52029 10.7507 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 6.22499 9.66533 9.18058 7.81831 7.89413 6.49466 13.587 12.2006 4.36421 10.5407 numMergedOcc 0
13 mol 250 unq 0 iso 0 dist 8.21225 9.73318 7.15398 8.45998 3.59127 10.208 4.11548 9.88044 8.51703 11.3769 numMergedOcc 0
14 mol 250 unq 1 iso 0 dist 8.21225 5.75551 6.13352 8.45998 3.59127 8.59509 4.11548 9.88044 5.07895 11.3769 numMergedOcc 0
15 mol 276 unq 0 iso 0 dist 9.63988 8.0652 15.2084 9.97709 8.55166 16.9357 6.40983 14.403 7.60807 16.1098 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 8.56376 8.07626 7.83784 8.3831 9.87139 9.07999 6.76599 13.8701 9.28067 12.3862 numMergedOcc 0
17 mol 283 unq 1 iso 0 dist 8.56376 8.07626 7.83784 8.44179 9.77386 5.0232 6.76599 13.8701 9.28067 10.1356 numMergedOcc 0
18 mol 283 unq 2 iso 0 dist 8.56376 6.3448 12.5084 8.3831 9.87139 7.39416 6.76599 13.8701 5.71075 12.3862 numMergedOcc 0
19 mol 283 unq 3 iso 0 dist 8.56376 6.3448 12.5084 8.44179 9.77386 5.78526 6.76599 13.8701 5.71075 10.1356 numMergedOcc 0
