0 mol 0 unq 0 iso 0 dist 7.20999 4.36715 8.82102 4.21143 9.67081 8.21826 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.2422 5.41061 6.87871 14.9436 9.99939 15.1968 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.20523 4.79064 9.93344 14.6873 8.06267 13.0721 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.20523 4.79064 9.93344 11.7508 5.88334 10.6791 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.09906 4.19771 8.0614 4.91617 5.25027 8.33013 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 6.09906 4.19771 8.0614 8.05938 4.37025 9.53139 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.04546 13.7393 8.42147 9.05868 9.06601 10.3018 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 9.04546 13.7393 8.42147 9.16288 5.98809 4.88926 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.85527 4.92027 9.93703 10.6622 7.60162 8.99475 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.99949 7.31861 8.97145 7.51072 8.80895 5.51548 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.99949 4.55152 6.5874 7.51072 8.80895 5.61122 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.22024 4.63243 9.12599 5.55879 6.09063 7.15505 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.57582 7.95515 9.12599 3.40022 6.09063 7.15505 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.34465 3.81784 6.42756 10.443 7.46621 6.97119 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 6.87299 11.6781 9.18866 5.14383 6.73617 6.99467 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 6.87299 11.6781 9.18866 8.68767 9.03544 4.53687 numMergedOcc 0
16 mol 174 unq 0 iso 0 dist 6.04817 12.3305 8.76218 5.01986 5.61673 9.23383 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.71409 17.7409 9.67457 10.8881 6.85824 8.81074 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.75141 8.82924 4.58599 10.6214 9.09354 10.5963 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 9.75141 8.82924 4.58599 6.98052 4.66576 5.36904 numMergedOcc 0
20 mol 213 unq 2 iso 0 dist 9.75141 5.37137 8.78568 10.6214 9.09354 13.711 numMergedOcc 0
21 mol 213 unq 3 iso 0 dist 9.75141 5.37137 8.78568 6.98052 4.66576 4.84414 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.61729 5.39741 6.37342 8.18179 4.43499 7.72768 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.40766 9.93782 5.73296 4.2886 8.03012 8.9947 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 6.36173 4.84163 9.02749 12.2565 8.12739 12.2201 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 6.36173 4.84163 9.02749 10.2664 6.09853 12.2802 numMergedOcc 0
