0 mol 16 unq 0 iso 0 dist 8.59049 5.70228 4.7319 5.11248 6.72833 6.51133 6.21616 6.86055 7.65889 5.94982 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 11.6434 5.11636 7.95042 5.80953 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 9.95169 5.18617 9.48085 6.53269 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 9.95169 5.68041 9.48085 6.53269 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 12.0518 5.69391 9.55118 7.58875 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 11.0132 6.65501 4.4057 9.55337 3.9764 5.10496 4.62494 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 11.0132 6.65501 7.42446 9.55337 3.9764 5.92242 4.62494 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 15.2414 10.4782 7.54889 8.46823 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 9.55337 3.9764 5.2571 4.62494 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.70279 5.85449 6.65086 10.838 8.30845 5.80144 10.7785 6.23008 8.91882 6.59691 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 10.8869 7.80523 7.74599 13.0202 5.00433 8.52024 7.56755 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 5.52764 7.92304 5.50031 8.14405 4.91785 8.97626 9.16358 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 8.51427 6.84862 5.56538 8.43195 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 11.6182 9.53117 7.48954 8.23406 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.4939 8.66332 6.65022 10.3383 5.70473 7.27993 9.37336 numMergedOcc 0
