0 mol 21 unq 0 iso 0 dist 8.90496 8.74733 6.28263 11.2749 10.6971 5.93898 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 8.6492 6.39094 6.63448 13.7567 9.49968 7.57295 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 8.6492 6.39094 6.63448 12.9682 5.94827 8.4312 numMergedOcc 0
3 mol 60 unq 2 iso 0 dist 8.6492 6.39094 6.63448 12.2083 5.32257 7.48086 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.86487 4.9759 8.72725 7.42474 5.76986 9.05166 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.86487 6.59976 6.11407 7.42474 5.76986 5.56994 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 7.85849 15.9796 9.0176 14.0056 7.1797 9.66543 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 7.85849 15.9796 9.0176 10.9216 4.57832 7.21868 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 7.85849 15.9796 9.0176 8.84656 5.29786 7.93372 numMergedOcc 0
9 mol 134 unq 3 iso 0 dist 6.08299 11.6261 9.0176 9.14415 7.1797 9.66543 numMergedOcc 0
10 mol 134 unq 4 iso 0 dist 6.08299 11.6261 9.0176 9.79337 4.57832 7.21868 numMergedOcc 0
11 mol 134 unq 5 iso 0 dist 6.08299 11.6261 9.0176 10.5814 5.29786 7.93372 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.10556 6.83215 5.92302 10.9387 10.1386 8.07097 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 5.57798 4.78116 5.2693 10.9157 7.23684 8.33439 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.01017 5.43915 7.35884 9.75336 4.43096 9.76212 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.01017 5.43915 7.35884 6.09874 6.06566 8.59874 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.54437 9.71832 7.35884 13.6244 4.43096 9.76212 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 9.54437 9.71832 7.35884 14.4779 6.06566 8.59874 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.41708 6.50911 9.45907 11.8774 7.30024 8.73533 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.67938 9.16346 9.48625 11.0143 5.86489 7.9133 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 9.42329 5.11101 9.68477 11.3254 7.67559 8.63693 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.92206 19.0926 9.25617 14.3346 5.91654 6.99769 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 9.92206 19.0926 9.25617 15.5132 7.38836 8.79428 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 9.92206 19.0926 9.25617 19.7694 10.6079 6.8692 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.39578 7.11682 8.95511 12.4713 11.169 6.73665 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 9.39578 7.11682 8.95511 13.9927 18.2672 9.34438 numMergedOcc 0
26 mol 239 unq 2 iso 0 dist 9.39578 7.11682 8.95511 16.3814 13.9678 9.35949 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 6.59092 4.3735 5.61969 9.79022 7.81483 6.31969 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 6.74022 11.3961 8.60027 12.6182 6.70925 6.4611 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 6.71956 10.3171 9.26157 7.151 6.28695 9.57499 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.71956 10.3171 9.26157 8.53324 4.37645 5.46926 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 6.71956 10.3171 9.26157 7.23956 7.70529 8.9682 numMergedOcc 0
