0 mol 24 unq 0 iso 0 dist 9.04448 9.67461 5.68215 5.42968 9.24731 8.23075 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 5.94343 3.53396 4.7841 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.74209 5.5249 6.6263 9.72346 5.14161 7.39848 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.85555 5.46715 6.6263 7.45173 5.14161 7.39848 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 14.1978 9.84528 6.62699 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 5.32773 12.9469 8.80934 8.01535 3.52445 7.02367 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 5.32773 12.9469 8.80934 15.0372 10.4701 9.30832 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 18.548 10.4448 8.64905 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 10.561 5.12696 7.55934 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.83462 5.65129 8.9192 10.561 6.04238 7.55934 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.33147 4.59843 8.97589 8.24035 6.68311 9.84566 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 8.33147 4.59843 8.97589 8.77932 3.88698 8.22001 numMergedOcc 0
12 mol 184 unq 2 iso 0 dist 8.09403 4.59843 5.96423 8.24035 9.71065 9.84566 numMergedOcc 0
13 mol 184 unq 3 iso 0 dist 8.09403 4.59843 5.96423 8.77932 3.30691 8.22001 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.04336 6.13422 7.05695 9.6283 5.4547 6.93931 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 8.01604 10.0103 7.88013 9.81333 3.42559 7.86092 numMergedOcc 0
16 mol 188 unq 1 iso 0 dist 7.03264 7.94258 7.88013 9.84276 3.42559 7.86092 numMergedOcc 0
17 mol 188 unq 2 iso 0 dist 9.07006 10.0103 9.90062 9.81333 6.93096 7.86092 numMergedOcc 0
18 mol 188 unq 3 iso 0 dist 6.32826 7.94258 9.90062 9.84276 6.93096 7.86092 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 8.08491 4.98231 7.41662 9.33055 5.60873 6.59544 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 8.04327 7.18317 8.21793 14.4201 14.4808 8.82761 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.88009 5.90394 5.46926 8.70774 5.9732 7.42932 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 7.88009 9.57081 8.9682 8.70774 5.9732 4.9764 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 7.88009 9.57081 8.9682 12.0301 8.61922 6.36559 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 5.80061 5.90394 5.13913 8.70774 3.79766 7.42932 numMergedOcc 0
25 mol 277 unq 4 iso 0 dist 5.80061 9.57081 6.92711 8.70774 3.79766 4.9764 numMergedOcc 0
26 mol 277 unq 5 iso 0 dist 5.80061 9.57081 6.92711 12.0301 7.07613 6.36559 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 10.3479 8.76061 6.69619 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 7.48212 5.0721 7.20674 8.06614 9.42231 4.49592 numMergedOcc 0
