0 mol 16 unq 0 iso 0 dist 8.59049 9.45103 12.9201 5.11248 6.72833 10.0132 6.21616 6.86055 6.09368 5.94982 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 8.45916 4.79736 13.4836 8.60554 13.0764 19.4811 14.8647 18.9418 6.61696 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.20058 8.45916 4.79736 13.4836 8.60554 13.0764 11.6434 5.11636 8.32593 5.80953 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.20058 8.45916 4.79736 9.04355 9.44691 13.2105 13.2071 14.4081 18.035 9.586 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.22151 9.95169 5.18617 6.63966 8.50222 6.53269 14.5916 13.2447 12.1732 9.16515 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.22151 9.95169 5.18617 6.63966 8.50222 6.53269 15.9245 11.8139 9.54872 9.82987 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 9.22151 9.95169 5.18617 6.63966 8.50222 6.53269 13.2138 6.28979 3.49276 9.40732 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 6.22122 9.95169 5.68041 6.63966 7.55264 6.53269 14.5916 14.9982 12.1732 9.16515 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 6.22122 9.95169 5.68041 6.63966 7.55264 6.53269 15.9245 14.1251 9.54872 9.82987 numMergedOcc 0
9 mol 25 unq 5 iso 0 dist 6.22122 9.95169 5.68041 6.63966 7.55264 6.53269 13.2138 8.41421 3.49276 9.40732 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 6.68311 9.26417 4.03844 15.1138 9.27838 6.91169 12.0518 5.69391 4.85556 7.58875 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 6.68311 9.26417 4.03844 15.1138 9.27838 6.91169 9.87311 5.57624 3.44489 9.52749 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 11.0132 6.65501 9.84743 15.2414 10.4782 16.1571 8.46823 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.05602 4.79891 7.03983 11.0132 6.65501 9.84743 9.55337 3.9764 9.6331 4.62494 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 5.70279 5.30117 5.47563 10.838 8.30845 13.2383 10.7785 6.23008 10.2797 6.59691 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 8.84523 7.22752 6.35679 10.8869 7.80523 10.5546 13.0202 5.00433 8.76863 7.56755 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 10.3328 7.67576 8.43195 11.6182 9.53117 3.58181 8.23406 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 8.8557 8.3932 4.17276 10.4939 8.66332 11.7964 10.3383 5.70473 9.01727 9.37336 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 5.82876 5.64169 5.22914 4.48276 7.46394 7.77765 13.5288 14.7507 13.5848 9.65868 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 8.71129 5.64169 10.2884 4.48276 7.1729 7.77765 13.5288 13.0867 13.5848 9.65868 numMergedOcc 0
