0 mol 37 unq 0 iso 0 dist 5.98359 9.21102 4.23663 4.40037 8.98454 12.8994 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 5.98359 6.84257 8.49523 4.40037 8.98454 10.8017 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.35329 9.92079 8.49884 5.35632 9.21833 12.1717 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 7.75237 7.12853 9.08204 9.86951 8.23389 14.7203 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.6308 7.94379 5.12529 8.53951 8.48639 12.0429 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 9.1109 7.11476 4.39441 10.7386 9.85715 12.3632 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 8.21842 8.78112 11.2309 numMergedOcc 0
7 mol 170 unq 0 iso 0 dist 5.94075 9.15159 7.9212 5.37396 8.95292 9.0847 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.39634 8.09309 10.2448 8.81502 8.87876 14.1976 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 5.13722 8.49577 8.78766 7.10924 9.16535 10.6384 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 7.72242 5.83093 5.21255 10.2336 7.578 11.2233 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 7.68078 8.94889 12.3142 4.3844 8.36019 9.71107 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 7.68078 8.94889 12.3142 6.85132 7.30805 9.7449 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 5.98076 9.11823 10.7072 6.13691 8.38813 12.4467 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 4.3362 6.89587 5.7733 4.14896 7.27248 10.8981 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 5.51565 6.89587 4.4922 4.14896 9.50216 10.8981 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 9.74776 9.984 8.70221 4.55332 9.50216 13.0124 numMergedOcc 0
17 mol 220 unq 3 iso 0 dist 9.56271 9.57625 13.0906 9.12466 8.15255 16.8731 numMergedOcc 0
18 mol 220 unq 4 iso 0 dist 9.56271 8.08702 4.56028 9.12466 8.15255 10.5727 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 5.01206 7.8356 12.4446 numMergedOcc 0
20 mol 230 unq 1 iso 0 dist 9.27643 7.66323 4.85368 13.7738 7.8356 12.4446 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 7.52696 7.30003 4.81997 7.4921 4.36956 7.93194 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 7.52696 7.30003 4.81997 4.7126 8.43799 9.89352 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.04688 5.70674 4.88298 6.46947 9.1515 8.56493 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.42812 6.40125 10.3278 17.13 8.18813 16.333 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 6.15136 6.53354 6.84734 5.83652 5.05882 10.3761 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 6.15136 6.93798 4.67572 5.83652 5.05882 5.32876 numMergedOcc 0
