0 mol 48 unq 0 iso 0 dist 8.05728 9.57046 9.40644 6.43732 9.38206 5.79865 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.05728 4.91237 5.35252 6.43732 9.38206 4.91651 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.39608 3.91691 8.92529 6.82169 6.59302 4.96361 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 8.39608 3.91691 8.92529 13.8437 9.93626 11.7369 numMergedOcc 0
4 mol 71 unq 2 iso 0 dist 7.28815 10.1018 8.92529 10.5616 6.59302 4.96361 numMergedOcc 0
5 mol 71 unq 3 iso 0 dist 7.28815 10.1018 8.92529 6.46657 9.93626 11.7369 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 5.01633 4.18109 8.25597 8.91765 8.26819 8.88127 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 5.01633 4.01868 4.76466 8.91765 8.26819 6.78257 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 5.01633 6.54389 8.67172 8.91765 8.26819 4.7798 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 5.37819 12.1737 8.15664 6.68925 6.00131 6.85223 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 8.44207 4.95662 8.68674 11.0363 9.46619 6.83905 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 7.22737 6.01775 7.1859 9.59696 7.43143 4.09052 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.9962 5.9683 8.76088 11.4175 6.61636 12.398 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.61448 13.8877 8.76088 6.2062 6.61636 12.398 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 9.8446 4.08841 6.85551 12.6809 8.4082 10.9999 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 9.38497 7.13078 3.96523 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.31333 4.43567 9.2254 9.58526 5.80433 11.9365 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 5.31333 4.43567 9.2254 11.0885 6.8285 13.7178 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 5.82577 10.7172 5.58167 9.55801 6.56642 6.47437 numMergedOcc 0
19 mol 187 unq 1 iso 0 dist 5.82577 10.7172 5.58167 5.94354 7.9625 10.7843 numMergedOcc 0
20 mol 187 unq 2 iso 0 dist 5.82577 4.75665 8.0501 9.55801 6.56642 7.95559 numMergedOcc 0
21 mol 187 unq 3 iso 0 dist 5.82577 4.75665 8.0501 5.94354 7.9625 9.27977 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 7.96412 9.01377 13.2711 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 8.40718 12.8445 8.41232 7.96412 9.01377 10.5475 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 10.8658 9.13234 7.56892 numMergedOcc 0
25 mol 226 unq 0 iso 0 dist 7.54614 12.983 8.74399 4.91346 7.45381 12.3027 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 6.11645 5.45375 8.73313 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 9.33791 8.55958 8.8646 5.7716 9.9145 13.3737 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 9.52059 4.35986 5.37747 6.83359 7.06971 4.60751 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 14.2814 6.59786 8.67797 numMergedOcc 0
30 mol 273 unq 1 iso 0 dist 9.80002 5.87385 5.78262 17.5382 7.96519 13.2599 numMergedOcc 0
31 mol 273 unq 2 iso 0 dist 9.80002 10.5975 7.6489 14.2814 6.59786 9.47855 numMergedOcc 0
32 mol 273 unq 3 iso 0 dist 9.80002 10.5975 7.6489 17.5382 7.96519 10.9195 numMergedOcc 0
33 mol 273 unq 4 iso 0 dist 6.73794 3.92089 5.78262 9.11005 6.59786 8.67797 numMergedOcc 0
34 mol 273 unq 5 iso 0 dist 6.73794 3.92089 5.78262 13.7838 7.96519 13.2599 numMergedOcc 0
35 mol 273 unq 6 iso 0 dist 6.73794 12.0094 7.6489 9.11005 6.59786 9.47855 numMergedOcc 0
36 mol 273 unq 7 iso 0 dist 6.73794 12.0094 7.6489 13.7838 7.96519 10.9195 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 5.49583 7.61398 9.51445 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 5.76796 8.7778 6.32984 5.49583 7.61398 11.5961 numMergedOcc 0
39 mol 293 unq 0 iso 0 dist 4.66962 4.13058 6.52889 4.37303 7.44889 6.42397 numMergedOcc 0
40 mol 293 unq 1 iso 0 dist 6.04186 6.74585 4.72125 4.37303 5.50284 5.86908 numMergedOcc 0
41 mol 293 unq 2 iso 0 dist 6.04186 6.74585 4.72125 11.0749 8.88355 10.4612 numMergedOcc 0
