0 mol 7 unq 0 iso 0 dist 9.49401 14.8431 6.7985 14.92 6.14469 8.43473 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.49401 18.245 9.68596 14.92 6.14469 5.03847 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.05626 4.37231 6.35398 10.0977 7.98326 10.9183 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 7.05626 4.37231 6.35398 6.5069 7.90478 9.99434 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.94245 5.88932 6.42748 9.867 6.03257 10.1154 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 5.94245 9.21064 7.48342 9.867 6.03257 4.29582 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 6.87419 10.9288 6.09764 4.539 4.74809 8.96335 numMergedOcc 0
7 mol 20 unq 1 iso 0 dist 6.87419 10.9288 6.09764 13.6444 7.43882 6.05944 numMergedOcc 0
8 mol 20 unq 2 iso 0 dist 6.87419 10.9288 6.09764 9.41046 7.31198 7.46656 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 9.67696 5.92191 7.33768 4.89927 8.00171 6.66749 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.12171 10.5449 9.41441 7.1011 8.00171 4.32034 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 8.12171 10.5449 9.41441 11.6096 5.95834 12.2662 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.12171 10.5449 9.41441 10.8208 4.2121 8.67951 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 8.12171 10.5449 9.41441 13.3998 6.72323 8.52463 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 8.12171 14.617 6.73939 7.1011 8.00171 11.9112 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 8.12171 14.617 6.73939 11.6096 5.95834 6.56748 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 8.12171 14.617 6.73939 10.8208 4.2121 4.50066 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 8.12171 14.617 6.73939 13.3998 6.72323 5.11617 numMergedOcc 0
18 mol 54 unq 0 iso 0 dist 6.54052 10.0565 6.14538 11.754 9.17082 4.24786 numMergedOcc 0
19 mol 65 unq 0 iso 0 dist 8.9161 6.80796 6.72639 10.5461 5.94206 5.51708 numMergedOcc 0
20 mol 65 unq 1 iso 0 dist 8.9161 5.06408 6.76508 10.5461 5.94206 6.47381 numMergedOcc 0
21 mol 91 unq 0 iso 0 dist 7.42828 7.45926 9.30539 9.18905 8.66165 4.57085 numMergedOcc 0
22 mol 91 unq 1 iso 0 dist 5.98441 5.55005 9.30539 8.00102 8.66165 4.57085 numMergedOcc 0
23 mol 91 unq 2 iso 0 dist 5.45873 9.57561 9.30539 11.1564 8.66165 4.57085 numMergedOcc 0
24 mol 91 unq 3 iso 0 dist 4.86532 5.27581 5.73743 5.75219 8.66165 10.1024 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 9.45854 4.17348 7.52354 13.0366 9.91054 14.3301 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 9.17878 6.46081 8.8822 3.87164 6.6317 7.27193 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 6.41084 10.4817 8.10291 11.939 9.83945 14.7684 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 6.8891 16.1376 9.97343 12.0582 9.10042 9.74444 numMergedOcc 0
29 mol 141 unq 2 iso 0 dist 6.8891 16.1376 9.97343 13.5187 9.75059 6.91919 numMergedOcc 0
30 mol 141 unq 3 iso 0 dist 6.8891 16.1376 9.97343 10.0354 6.83404 10.1432 numMergedOcc 0
31 mol 141 unq 4 iso 0 dist 6.8891 10.4675 9.70413 12.0582 9.10042 10.3716 numMergedOcc 0
32 mol 141 unq 5 iso 0 dist 6.8891 10.4675 9.70413 13.5187 9.75059 7.87881 numMergedOcc 0
33 mol 141 unq 6 iso 0 dist 6.8891 10.4675 9.70413 10.0354 6.83404 7.27731 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 6.29351 4.30841 8.73722 5.57422 5.41575 6.14767 numMergedOcc 0
35 mol 156 unq 1 iso 0 dist 6.29351 4.30841 8.73722 10.4496 6.86566 12.212 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 5.87853 6.73556 9.72611 6.15536 7.22883 12.7358 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 8.83185 5.49497 5.94469 13.1684 9.92471 9.69409 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 9.0234 10.9813 5.94469 12.116 9.92471 9.69409 numMergedOcc 0
39 mol 194 unq 0 iso 0 dist 7.71806 9.45062 8.65535 12.1101 6.1886 11.6598 numMergedOcc 0
40 mol 196 unq 0 iso 0 dist 9.42877 6.94473 6.70531 11.3347 7.21349 4.54749 numMergedOcc 0
41 mol 196 unq 1 iso 0 dist 9.42877 12.8012 6.86319 11.3347 7.21349 10.645 numMergedOcc 0
42 mol 226 unq 0 iso 0 dist 8.22952 6.25661 8.80683 7.04199 5.70795 7.92585 numMergedOcc 0
43 mol 226 unq 1 iso 0 dist 8.22952 9.16105 6.11704 7.04199 5.70795 7.554 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 8.60978 10.2134 8.69104 12.1252 5.92374 8.1195 numMergedOcc 0
45 mol 244 unq 0 iso 0 dist 9.28249 9.17618 5.50492 15.877 7.95359 7.6169 numMergedOcc 0
46 mol 244 unq 1 iso 0 dist 9.28249 9.17618 5.50492 6.12937 6.22122 5.17744 numMergedOcc 0
47 mol 249 unq 0 iso 0 dist 6.7282 8.71871 5.48118 7.64577 5.9627 9.0676 numMergedOcc 0
48 mol 249 unq 1 iso 0 dist 6.7282 7.87761 7.25858 7.64577 5.9627 6.56117 numMergedOcc 0
49 mol 271 unq 0 iso 0 dist 6.70662 4.75339 9.70714 4.91325 5.92274 8.66946 numMergedOcc 0
