0 mol 54 unq 0 iso 0 dist 8.66233 13.7705 6.59893 12.4716 9.5589 11.9881 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 8.66233 13.7705 6.59893 12.3075 6.83299 10.3564 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 8.66233 13.7705 6.59893 6.92468 8.10861 12.4254 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 8.66233 13.4839 5.59773 12.4716 9.5589 13.9079 numMergedOcc 0
4 mol 54 unq 4 iso 0 dist 8.66233 13.4839 5.59773 12.3075 6.83299 10.4238 numMergedOcc 0
5 mol 54 unq 5 iso 0 dist 8.66233 13.4839 5.59773 6.92468 8.10861 10.1356 numMergedOcc 0
6 mol 54 unq 6 iso 0 dist 5.88766 6.52831 6.59893 9.50681 9.5589 11.9881 numMergedOcc 0
7 mol 54 unq 7 iso 0 dist 5.88766 6.52831 6.59893 9.84851 6.83299 10.3564 numMergedOcc 0
8 mol 54 unq 8 iso 0 dist 5.88766 6.52831 6.59893 10.0995 8.10861 12.4254 numMergedOcc 0
9 mol 54 unq 9 iso 0 dist 5.88766 9.37794 5.59773 9.50681 9.5589 13.9079 numMergedOcc 0
10 mol 54 unq 10 iso 0 dist 5.88766 9.37794 5.59773 9.84851 6.83299 10.4238 numMergedOcc 0
11 mol 54 unq 11 iso 0 dist 5.88766 9.37794 5.59773 10.0995 8.10861 10.1356 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 6.47483 13.2064 8.54906 8.88301 7.88289 6.6292 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 6.47483 13.2064 8.54906 6.48294 9.01083 12.3193 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 4.84594 8.76695 8.40046 4.97123 9.30299 9.75166 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.47457 6.71956 9.4473 9.36947 8.22656 15.4455 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.47457 6.71956 9.4473 6.64892 6.82262 11.1611 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 9.88039 14.2715 8.69888 12.7327 9.0018 11.5099 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 9.88039 14.2715 8.69888 12.0917 5.6234 5.50014 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 9.88039 14.2715 8.69888 7.46731 6.57069 7.39186 numMergedOcc 0
20 mol 175 unq 3 iso 0 dist 9.88039 9.10372 5.08206 12.7327 9.0018 12.1783 numMergedOcc 0
21 mol 175 unq 4 iso 0 dist 9.88039 9.10372 5.08206 12.0917 5.6234 7.28617 numMergedOcc 0
22 mol 175 unq 5 iso 0 dist 9.88039 9.10372 5.08206 7.46731 6.57069 5.77256 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 9.37642 15.6737 9.67457 14.5207 6.18308 5.82028 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.26029 14.0466 9.29703 12.3287 5.78342 4.8786 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 8.26029 14.0466 9.29703 13.3966 9.16166 7.18448 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 8.26029 14.0466 9.29703 7.84931 5.81334 6.38066 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 7.62761 4.13411 6.75305 8.12266 6.24356 10.0289 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 8.55468 9.57844 9.05218 6.64954 9.8993 5.72513 numMergedOcc 0
29 mol 276 unq 1 iso 0 dist 8.55468 9.57844 9.05218 9.14525 6.87396 8.86096 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 7.144 10.7649 6.90434 6.7906 9.7748 13.2927 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 7.15 12.3845 8.13489 10.3626 9.70696 5.51096 numMergedOcc 0
