0 mol 26 unq 0 iso 0 dist 8.85591 12.0752 9.6643 5.88467 9.25649 7.35595 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.12212 8.99138 8.62842 11.6261 8.19733 12.6438 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 6.12212 8.99138 8.62842 5.48821 8.57165 7.19373 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 6.12212 8.93137 8.27298 11.6261 8.19733 15.6407 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 6.12212 8.93137 8.27298 5.48821 8.57165 5.14632 numMergedOcc 0
5 mol 39 unq 4 iso 0 dist 6.12212 7.98431 8.56111 11.6261 8.19733 16.7059 numMergedOcc 0
6 mol 39 unq 5 iso 0 dist 6.12212 7.98431 8.56111 5.48821 8.57165 5.90834 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 9.46302 15.4221 8.76527 8.88127 8.65019 12.4805 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 5.74389 10.8348 9.48391 10.492 8.80104 10.3036 numMergedOcc 0
9 mol 71 unq 0 iso 0 dist 8.67545 9.13065 9.0907 6.82169 6.48531 4.77689 numMergedOcc 0
10 mol 74 unq 0 iso 0 dist 9.43699 15.2079 9.60205 10.1834 4.79413 6.32526 numMergedOcc 0
11 mol 74 unq 1 iso 0 dist 5.23115 6.2954 9.60205 3.94075 4.79413 6.32526 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.42713 12.7083 5.89661 12.5605 7.85041 11.2152 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.21032 7.44572 5.89661 10.878 7.85041 11.2152 numMergedOcc 0
14 mol 94 unq 0 iso 0 dist 7.13726 8.34912 9.57635 4.4432 9.13207 10.0163 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 9.82548 5.8926 4.86701 15.3233 7.92876 9.57451 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.62468 5.76927 7.67321 6.53156 6.82089 11.1982 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 6.62468 5.76927 7.67321 4.72188 5.38314 6.1956 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 6.4752 14.5183 9.95533 4.10092 5.1101 10.6903 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 6.4752 14.5183 9.95533 4.47436 7.01133 15.5982 numMergedOcc 0
20 mol 147 unq 2 iso 0 dist 6.4752 13.8716 7.94147 4.10092 5.1101 12.5048 numMergedOcc 0
21 mol 147 unq 3 iso 0 dist 6.4752 13.8716 7.94147 4.47436 7.01133 12.2623 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 9.3832 17.4608 8.67619 14.7696 8.21476 5.51913 numMergedOcc 0
23 mol 163 unq 1 iso 0 dist 9.3832 17.4608 8.67619 9.55472 7.66897 11.5521 numMergedOcc 0
24 mol 163 unq 2 iso 0 dist 6.0247 7.1643 8.67619 6.00005 8.21476 5.51913 numMergedOcc 0
25 mol 163 unq 3 iso 0 dist 6.0247 7.1643 8.67619 6.69711 7.66897 11.5521 numMergedOcc 0
26 mol 163 unq 4 iso 0 dist 6.40873 11.2768 8.67619 9.09427 8.21476 5.51913 numMergedOcc 0
27 mol 163 unq 5 iso 0 dist 6.40873 11.2768 8.67619 5.45003 7.66897 11.5521 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 9.43554 11.3347 9.84682 14.0983 8.70484 10.875 numMergedOcc 0
29 mol 250 unq 1 iso 0 dist 9.43554 14.0873 8.26719 14.0983 8.70484 6.39204 numMergedOcc 0
30 mol 250 unq 2 iso 0 dist 9.21681 17.9595 9.84682 10.9117 8.70484 10.875 numMergedOcc 0
31 mol 250 unq 3 iso 0 dist 9.21681 6.37495 8.26719 10.9117 8.70484 6.39204 numMergedOcc 0
32 mol 252 unq 0 iso 0 dist 9.81593 12.5748 6.97105 7.31906 5.2361 5.3935 numMergedOcc 0
33 mol 252 unq 1 iso 0 dist 9.81593 12.5748 6.97105 12.2338 5.57515 11.142 numMergedOcc 0
34 mol 252 unq 2 iso 0 dist 9.81593 12.5748 6.97105 14.2535 8.28694 10.9527 numMergedOcc 0
35 mol 252 unq 3 iso 0 dist 9.78248 10.0697 6.97105 12.8039 5.2361 5.3935 numMergedOcc 0
36 mol 252 unq 4 iso 0 dist 9.78248 10.0697 6.97105 8.32839 5.57515 11.142 numMergedOcc 0
37 mol 252 unq 5 iso 0 dist 9.78248 10.0697 6.97105 5.63228 8.28694 10.9527 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 9.49787 15.645 8.35023 9.33248 9.51311 17.6675 numMergedOcc 0
39 mol 272 unq 0 iso 0 dist 8.36282 5.51121 4.80092 10.5255 7.55161 5.91451 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 5.63154 8.29352 7.84195 7.73611 8.23056 9.55097 numMergedOcc 0
41 mol 279 unq 1 iso 0 dist 5.63154 6.34006 9.2174 7.73611 8.23056 9.91994 numMergedOcc 0
