0 mol 10 unq 0 iso 0 dist 5.40169 6.02543 3.92592 9.61828 5.59965 6.18431 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.2004 6.01284 6.86136 7.72688 8.00171 12.7215 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.2004 6.01284 6.86136 4.82556 5.95834 5.78532 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.2004 6.01284 6.86136 6.25108 4.2121 8.49709 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.2004 6.01284 6.86136 11.8207 6.72323 12.9064 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.2004 9.45579 7.31321 7.72688 8.00171 14.0175 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.2004 9.45579 7.31321 4.82556 5.95834 9.69815 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.2004 9.45579 7.31321 6.25108 4.2121 10.7495 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.2004 9.45579 7.31321 11.8207 6.72323 12.9884 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 9.5053 6.38243 4.76998 5.66783 6.56527 6.81793 numMergedOcc 0
10 mol 26 unq 1 iso 0 dist 6.74848 7.90721 10.0347 5.45023 6.56527 6.7142 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 7.59316 9.80137 17.3353 4.16161 8.29857 10.6893 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 7.59316 8.34893 15.8613 4.16161 8.29857 10.3169 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 7.51285 9.85865 17.3314 4.20245 8.19993 10.6858 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 7.51285 8.74946 16.1572 4.20245 8.19993 10.7881 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 8.43352 8.75597 3.94967 8.02554 7.36769 9.84703 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 8.43352 8.75597 3.94967 11.2092 6.88901 4.62494 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 8.79367 9.31005 3.82942 12.2604 8.38606 12.0931 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 5.44303 6.78801 6.11089 5.66194 5.87084 7.75314 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.30061 8.48313 16.1483 14.2253 6.40575 19.089 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.30061 6.99345 11.5269 14.2253 6.40575 13.3808 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 9.30061 5.11043 6.93712 14.2253 6.40575 10.1824 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 4.46777 6.77921 3.98068 5.38571 6.83404 6.65731 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 7.8141 7.39445 9.96737 3.98356 9.40801 10.6535 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 5.68348 5.53324 4.002 7.50057 6.38324 9.64441 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 5.68348 5.53324 4.002 5.92931 6.1886 4.19371 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 5.68348 6.72182 7.41775 7.50057 6.38324 9.00322 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 5.68348 6.72182 7.41775 5.92931 6.1886 11.7017 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 9.23935 9.87668 18.9885 8.98957 8.37739 16.0999 numMergedOcc 0
29 mol 225 unq 1 iso 0 dist 9.23935 8.42121 16.1303 8.98957 8.37739 17.1195 numMergedOcc 0
30 mol 225 unq 2 iso 0 dist 9.23935 7.8744 3.94409 8.98957 8.37739 6.94762 numMergedOcc 0
31 mol 225 unq 3 iso 0 dist 9.23935 4.98402 7.96454 8.98957 8.37739 10.1785 numMergedOcc 0
32 mol 225 unq 4 iso 0 dist 7.77552 9.87668 17.5145 8.98957 9.47237 16.0999 numMergedOcc 0
33 mol 225 unq 5 iso 0 dist 7.77552 8.42121 14.5337 8.98957 9.47237 17.1195 numMergedOcc 0
34 mol 225 unq 6 iso 0 dist 7.77552 7.8744 6.88465 8.98957 9.47237 6.94762 numMergedOcc 0
35 mol 225 unq 7 iso 0 dist 7.77552 4.98402 4.45116 8.98957 9.47237 10.1785 numMergedOcc 0
36 mol 250 unq 0 iso 0 dist 5.93798 6.93875 6.40609 12.4255 9.70149 15.7001 numMergedOcc 0
