0 mol 20 unq 0 iso 0 dist 7.61139 4.8515 7.99756 8.38129 4.7579 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.54552 4.8515 4.36087 8.38129 3.21365 7.47395 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 7.71617 7.24911 5.99655 15.3016 8.80559 9.2087 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 8.77624 10.9354 8.78414 9.07614 4.73277 8.14512 numMergedOcc 0
4 mol 63 unq 1 iso 0 dist 8.77624 10.9354 8.78414 15.7108 10.1907 9.13228 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.37273 5.37935 8.19932 10.895 7.98805 7.7485 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.3711 10.1475 5.45099 10.1989 3.35924 7.66068 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.3711 4.4828 8.44765 10.1989 3.35924 9.5043 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 9.3711 7.00476 9.06643 10.1989 3.35924 8.34132 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 9.6163 10.0772 9.80913 16.2471 9.40741 9.07629 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.6163 10.0772 9.80913 14.3816 9.00868 8.61143 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 8.48639 3.78122 7.62463 5.28331 5.4118 5.24346 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 9.85715 5.42817 9.33112 8.83779 7.5541 8.19144 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 9.63281 5.21959 9.87354 9.82654 6.51576 6.55227 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 9.51368 4.31516 6.68939 10.2422 5.43825 9.55626 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 8.07313 12.5873 9.53137 12.2428 7.66826 4.55853 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 7.88296 13.6008 9.73217 18.995 15.6308 8.62655 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.18813 11.5613 5.13533 13.4083 10.5214 7.98956 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 9.30058 9.74601 4.27826 10.6438 3.14843 5.88958 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 9.30058 5.04155 5.82074 10.6438 3.14843 7.78121 numMergedOcc 0
20 mol 285 unq 2 iso 0 dist 6.5354 4.31553 4.27826 9.28059 3.14843 5.88958 numMergedOcc 0
21 mol 285 unq 3 iso 0 dist 6.5354 5.02414 5.82074 9.28059 3.14843 7.78121 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 9.9229 4.01495 8.32982 7.81225 5.55422 6.24487 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 9.94851 7.24849 4.93516 11.2301 3.66473 4.68668 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.9229 4.01495 8.32982 7.81225 5.55422 6.24487 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 9.94851 7.24849 4.93516 11.2301 3.66473 4.68668 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 9.9229 4.01495 8.32982 7.81225 5.55422 6.24487 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 9.94851 7.24849 4.93516 11.2301 3.66473 4.68668 numMergedOcc 0
