0 mol 53 unq 0 iso 0 dist 5.40748 7.88793 9.31516 5.34876 5.63499 12.6452 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 9.47964 13.6309 8.23389 10.5668 4.74654 5.68539 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.42184 10.3721 7.75341 6.63464 7.47162 9.65371 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.58743 9.0655 8.0318 4.20398 7.318 9.57704 numMergedOcc 0
4 mol 192 unq 0 iso 0 dist 8.8637 12.9121 7.578 5.41356 7.75405 8.77024 numMergedOcc 0
5 mol 192 unq 1 iso 0 dist 8.8637 12.9121 7.578 4.87986 7.49971 13.9721 numMergedOcc 0
6 mol 192 unq 2 iso 0 dist 8.8637 6.70053 9.24926 5.41356 7.75405 10.2291 numMergedOcc 0
7 mol 192 unq 3 iso 0 dist 8.8637 6.70053 9.24926 4.87986 7.49971 5.67211 numMergedOcc 0
8 mol 239 unq 0 iso 0 dist 7.63381 7.04644 7.69491 17.1937 9.993 16.88 numMergedOcc 0
9 mol 239 unq 1 iso 0 dist 7.63381 4.99161 6.64008 17.1937 9.993 14.2079 numMergedOcc 0
10 mol 247 unq 0 iso 0 dist 9.01651 9.83927 7.95874 4.36793 9.07781 6.27569 numMergedOcc 0
11 mol 247 unq 1 iso 0 dist 9.01651 9.83927 7.95874 4.80559 6.84199 8.04601 numMergedOcc 0
12 mol 247 unq 2 iso 0 dist 8.83903 5.40081 7.95874 5.76234 9.07781 6.27569 numMergedOcc 0
13 mol 247 unq 3 iso 0 dist 8.83903 5.40081 7.95874 4.99579 6.84199 8.04601 numMergedOcc 0
14 mol 279 unq 0 iso 0 dist 7.59142 12.8668 8.9352 15.1753 8.34313 7.78018 numMergedOcc 0
15 mol 279 unq 1 iso 0 dist 7.59142 12.3885 5.8845 15.1753 8.34313 5.38411 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 7.60738 10.4435 9.33418 6.48043 8.66659 8.33363 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 7.81241 12.3631 9.4181 4.01355 5.32876 8.51629 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 7.81241 5.49773 5.05882 4.01355 5.32876 4.67572 numMergedOcc 0
