0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 14.1985 10.1923 6.6219 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.42968 9.67461 8.23075 9.04448 9.24731 5.68215 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.94343 9.67461 4.7841 14.1985 9.92483 6.6219 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.94343 9.67461 4.7841 9.04448 3.53396 5.68215 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.85083 16.4608 8.91596 14.6827 6.37026 7.26268 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.72346 5.5249 7.39848 8.74209 5.14161 6.6263 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 7.45173 5.46715 7.39848 9.85555 5.14161 6.6263 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.98764 5.53115 7.37171 10.4733 10.0644 5.5087 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.98764 5.53115 7.37171 9.90039 12.1501 6.08682 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 5.98764 10.489 8.62079 11.6811 14.0236 8.72682 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 5.98764 10.489 8.62079 13.4572 11.9118 6.45841 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 5.98764 10.489 8.62079 10.4733 10.0644 5.61588 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 5.98764 10.489 8.62079 9.90039 12.1501 7.83244 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 7.25771 13.2553 9.30832 11.6773 10.4701 8.80934 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 8.87379 5.0826 6.80627 10.0182 11.1934 7.79505 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 8.24035 4.59843 9.84566 8.33147 6.68311 8.97589 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 8.24035 4.59843 9.84566 8.09403 9.71065 5.96423 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 8.77932 4.59843 8.22001 8.33147 3.88698 8.97589 numMergedOcc 0
18 mol 184 unq 3 iso 0 dist 8.77932 4.59843 8.22001 8.09403 3.30691 5.96423 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.6283 6.13422 6.93931 6.04336 5.4547 7.05695 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 9.81333 10.0103 7.86092 8.01604 3.42559 7.88013 numMergedOcc 0
21 mol 188 unq 1 iso 0 dist 9.81333 10.0103 7.86092 9.07006 6.93096 9.90062 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 9.33055 4.98231 6.59544 8.08491 5.60873 7.41662 numMergedOcc 0
23 mol 248 unq 0 iso 0 dist 8.28099 5.8982 7.79063 13.3325 9.81612 9.05018 numMergedOcc 0
24 mol 248 unq 1 iso 0 dist 5.76741 7.63032 7.79063 11.6204 9.81612 9.05018 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 8.70774 5.90394 7.42932 7.88009 5.9732 5.46926 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 8.70774 5.90394 7.42932 5.80061 3.79766 5.13913 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 8.70774 9.57081 4.9764 18.6345 13.2853 9.35539 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 8.70774 9.57081 4.9764 7.88009 5.9732 8.9682 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 8.70774 9.57081 4.9764 5.80061 3.79766 6.92711 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 8.06614 5.0721 4.49592 7.48212 9.42231 7.20674 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 8.06614 5.0721 4.49592 11.097 11.9106 8.38121 numMergedOcc 0
