0 mol 16 unq 0 iso 0 dist 8.59049 6.21616 6.86055 5.11248 6.72833 5.94982 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.59049 9.45103 12.9201 5.11248 6.72833 10.0132 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 8.45916 4.79736 13.4836 8.60554 13.0764 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.20058 8.45916 4.79736 11.9824 8.44664 9.98592 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.20058 8.45916 4.79736 9.04355 9.44691 13.2105 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 12.1434 8.6653 10.4755 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.22151 9.95169 5.18617 6.63966 8.50222 6.53269 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 6.22122 9.95169 5.68041 6.63966 7.55264 6.53269 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.46207 9.56639 5.56139 5.63833 6.46104 6.07276 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.68311 9.26417 4.03844 15.1138 9.27838 6.91169 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 11.0132 6.65501 9.84743 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 5.70279 5.30117 5.47563 10.838 8.30845 13.2383 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 11.4018 8.76378 11.4348 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.84523 7.22752 6.35679 10.8869 7.80523 10.5546 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 7.76202 9.93888 4.45456 7.74181 7.47069 10.9692 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 6.47522 6.28565 10.9495 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 6.23966 8.46972 6.28232 5.85167 7.58957 6.34626 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 13.2968 7.71248 13.0475 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 5.52764 7.92304 9.16358 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 10.3328 7.67576 8.43195 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 5.47561 8.51427 6.84862 15.0445 9.82371 14.0832 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.8557 8.3932 4.17276 10.4939 8.66332 11.7964 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 8.91036 9.37406 10.7703 9.83598 6.98875 15.6693 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 8.91036 8.98908 13.4098 9.83598 6.98875 17.2978 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.95045 7.53576 5.42461 4.95971 9.05071 6.59036 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 5.82876 5.64169 5.22914 4.48276 7.46394 7.77765 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 8.71129 5.64169 10.2884 4.48276 7.1729 7.77765 numMergedOcc 0
