0 mol 5 unq 0 iso 0 dist 7.24457 3.9731 6.14476 12.9534 13.9409 9.70883 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.24457 3.9731 6.14476 11.4698 4.97032 9.65565 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 4.61081 4.86198 5.19407 4.7874 6.79423 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.96602 4.61081 8.98867 5.19407 9.35725 6.79423 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 5.57265 6.75646 7.69072 6.50622 5.34874 8.42738 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 5.57265 6.75646 7.69072 4.45433 3.68023 8.79979 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 7.05258 6.60367 7.69072 11.3183 5.34874 8.42738 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 7.05258 6.60367 7.69072 9.93417 3.68023 8.79979 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.09906 4.91617 5.25027 7.60619 3.83059 4.15789 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.09906 8.05938 4.37025 13.6253 8.95695 6.20144 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 6.09906 8.05938 4.37025 7.60619 3.83059 4.808 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 8.05602 12.6133 7.92856 15.3957 13.6536 6.5816 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 9.04546 9.05868 9.06601 8.69371 6.34994 4.91212 numMergedOcc 0
13 mol 111 unq 1 iso 0 dist 9.04546 9.05868 9.06601 14.379 8.26306 9.74162 numMergedOcc 0
14 mol 111 unq 2 iso 0 dist 9.04546 9.16288 5.98809 8.69371 6.34994 9.34782 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.08014 6.55681 7.02367 12.1483 13.0914 7.02358 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 9.08014 11.1233 9.30832 17.2903 10.2689 9.14336 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 8.46684 8.51521 5.93278 9.22398 4.18693 5.86379 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 8.46684 8.51521 5.93278 12.5065 7.41059 8.64686 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 8.46684 11.3635 6.19918 9.22398 4.18693 6.21029 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 8.46684 11.3635 6.19918 12.5065 7.41059 8.16325 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 7.75394 11.4495 9.76973 16.0434 10.4312 7.38825 numMergedOcc 0
22 mol 199 unq 0 iso 0 dist 9.30897 6.58405 8.72831 14.7913 9.00996 9.64363 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 9.75141 10.6214 9.09354 12.3134 3.62097 7.93317 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 9.75141 6.98052 4.66576 16.1943 7.49785 9.71831 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.61729 8.18179 4.43499 12.1128 4.61469 6.09626 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 7.26981 6.10294 5.77511 14.254 10.0874 8.66299 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 9.02643 5.37143 5.77511 8.44543 10.0874 8.66299 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 8.68368 5.37143 9.27311 8.44543 5.10494 8.66299 numMergedOcc 0
29 mol 256 unq 0 iso 0 dist 5.98967 7.06908 4.80903 11.22 6.73995 5.58222 numMergedOcc 0
