0 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 6.88805 8.81608 10.3333 5.03847 9.97624 6.14469 5.5683 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.85412 9.62394 4.45625 5.84314 9.71516 10.9352 16.147 11.7976 7.35972 15.8052 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.85412 9.62394 4.45625 5.84314 9.71516 10.9352 19.4709 13.8392 9.93542 20.1606 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.33889 9.62394 6.0397 5.84314 9.81658 10.9352 16.147 11.6997 7.35972 15.8052 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.33889 9.62394 6.0397 5.84314 9.81658 10.9352 19.4709 14.5309 9.93542 20.1606 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 6.91314 9.51568 6.23015 9.75966 6.50647 6.03257 5.20798 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 5.56139 5.84066 6.07276 7.23703 11.8125 6.93197 10.1622 numMergedOcc 0
7 mol 32 unq 0 iso 0 dist 8.68559 7.99969 7.14527 10.7345 7.11053 11.636 10.8897 12.7733 8.5315 12.3399 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 13.8904 7.59939 14.4075 8.08596 12.1114 7.54099 16.5544 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 5.48258 6.72379 4.26755 4.66791 7.10155 9.00322 7.11753 8.52969 6.38324 7.41775 numMergedOcc 0
10 mol 194 unq 1 iso 0 dist 5.48258 6.72379 4.26755 5.97754 6.11135 9.94082 7.11753 8.52969 6.38324 11.4789 numMergedOcc 0
11 mol 194 unq 2 iso 0 dist 6.15769 6.72379 10.0315 5.97754 6.54481 9.94082 7.11753 12.9874 6.38324 11.4789 numMergedOcc 0
12 mol 235 unq 0 iso 0 dist 9.43058 9.21736 17.5445 7.31605 7.02029 13.6809 11.7254 19.8998 6.94789 18.1776 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.05141 8.94014 11.5793 5.27215 8.69525 12.1725 5.50308 6.73446 5.92374 10.3346 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 8.09066 7.02333 11.5793 6.13368 8.69525 12.1725 7.11984 6.73446 5.92374 10.3346 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 7.2766 8.67864 11.5793 10.0605 8.69525 12.1725 7.95232 6.73446 5.92374 10.3346 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 8.87855 6.66172 9.65868 6.52035 14.1967 7.75216 10.7442 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 9.19234 6.39866 4.60275 8.87855 6.66172 8.60027 6.16703 11.4246 6.88827 13.3632 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 9.19234 6.39866 4.60275 8.87855 6.66172 8.60027 5.64601 9.20749 9.16942 5.39432 numMergedOcc 0
