0 mol 32 unq 0 iso 0 dist 8.34024 12.8992 7.18766 13.0026 4.84198 5.9972 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.69203 9.34663 7.71914 17.7328 11.418 9.29284 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.95084 13.4777 9.76285 17.3996 12.2529 4.53565 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.95084 13.4777 9.76285 10.5277 5.98272 8.53722 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.95084 13.4777 9.76285 15.1421 7.83821 6.15814 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.95084 13.4777 9.76285 13.1766 5.51708 7.70284 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 9.18584 13.7656 9.54797 10.7828 5.59994 8.44353 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 9.18584 13.7656 9.54797 15.5159 7.78417 6.11249 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 9.18584 13.7656 9.54797 13.6904 5.47187 7.86326 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 9.18584 13.7656 9.54797 17.9813 12.3016 4.74786 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.8518 6.73491 9.76285 10.9951 12.2529 4.53565 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.8518 6.73491 9.76285 10.3111 5.98272 8.53722 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 7.8518 6.73491 9.76285 9.82031 7.83821 6.15814 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 7.8518 6.73491 9.76285 9.90517 5.51708 7.70284 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 8.20636 13.4385 6.3244 13.6784 6.92548 7.79077 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 8.03243 7.34983 6.3244 10.6731 6.92548 7.79077 numMergedOcc 0
16 mol 228 unq 0 iso 0 dist 9.58356 10.3782 8.37287 10.607 3.65229 8.29523 numMergedOcc 0
17 mol 228 unq 1 iso 0 dist 9.29522 10.3257 8.07174 10.223 3.62742 8.13557 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 8.79054 13.0843 9.6101 8.33309 6.12476 5.69634 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 8.79054 6.7061 5.32183 8.33309 6.12476 6.81195 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 7.29546 10.2924 7.27958 12.6016 9.32678 9.11149 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 9.91556 14.2012 7.88284 13.3255 6.14028 6.61917 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 9.89583 12.9504 6.03988 10.3976 6.19835 6.59989 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 9.79549 8.97979 6.73692 13.4825 3.70701 9.08606 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 9.69725 5.65144 6.73692 10.126 3.70701 9.08606 numMergedOcc 0
25 mol 286 unq 0 iso 0 dist 9.10103 11.1738 8.81794 12.3731 13.7624 9.81574 numMergedOcc 0
26 mol 286 unq 1 iso 0 dist 6.88301 5.6144 8.81794 10.0194 13.7624 9.81574 numMergedOcc 0
