0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 15.0931 10.9309 8.34347 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.68877 7.10899 4.30086 10.8741 12.4634 9.24927 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 7.88321 5.73067 6.31521 5.79134 12.2513 7.50293 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 7.88321 5.73067 6.31521 5.48241 11.6716 9.91611 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 10.7219 14.4402 9.5589 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 6.76462 10.5929 6.83299 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 8.34361 5.97635 5.65405 13.2619 6.54183 8.10861 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 5.68841 7.7978 7.18948 6.8958 10.121 7.17396 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 7.75769 9.55751 7.18948 5.85228 10.121 7.17396 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 4.96726 11.8671 9.67592 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 4.96726 10.9973 9.67592 numMergedOcc 0
11 mol 71 unq 0 iso 0 dist 9.42315 8.85372 6.44499 9.64576 12.9508 7.38797 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 7.68053 7.75811 6.1985 4.8042 8.44515 5.83409 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 6.88489 12.9146 5.08437 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 9.63267 17.6559 6.48948 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 8.18252 4.50572 11.8887 9.82583 14.9393 6.10456 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 6.68714 15.24 9.60462 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 9.28645 7.15985 9.99381 6.71889 14.459 7.45389 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 6.59772 8.97043 6.11741 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.87592 4.98864 5.19652 10.9437 12.9647 7.88312 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 8.37388 7.95871 5.19652 4.86477 8.97043 6.11741 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 8.37388 7.95871 5.19652 12.0354 12.9647 7.88312 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 11.4498 12.0117 6.85062 numMergedOcc 0
23 mol 180 unq 0 iso 0 dist 9.19555 5.80441 6.93557 9.82186 16.3276 9.62337 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 4.3158 9.79901 7.81386 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.14877 9.84952 7.07865 12.9554 13.7928 7.63312 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 8.18021 9.84952 13.9526 4.3158 11.2136 7.81386 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 8.18021 9.84952 13.9526 12.9554 18.7611 7.63312 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 11.7583 13.6328 9.65138 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 4.98764 11.6154 7.14453 numMergedOcc 0
30 mol 214 unq 2 iso 0 dist 7.71569 5.36829 5.68711 12.3481 11.5105 8.85478 numMergedOcc 0
31 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 8.65216 12.1289 8.22528 numMergedOcc 0
32 mol 229 unq 1 iso 0 dist 9.33775 8.6537 10.8091 10.7439 15.5492 7.03423 numMergedOcc 0
33 mol 229 unq 2 iso 0 dist 9.33775 5.57702 10.9466 6.21233 14.9098 9.87838 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 8.21479 9.29752 6.1648 9.60401 12.5644 8.27212 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 7.38431 15.1022 5.4638 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.18345 6.24928 5.33697 5.33567 6.06422 6.57393 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 5.83646 9.94315 10.1036 12.521 13.6759 5.72887 numMergedOcc 0
38 mol 241 unq 0 iso 0 dist 7.30582 8.40773 9.64766 6.72492 10.4415 7.4631 numMergedOcc 0
39 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 4.93871 10.7144 9.02271 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 6.48867 10.7821 6.60405 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 6.41167 5.73834 5.13233 7.52881 8.21585 6.42289 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 4.62072 5.75874 8.53687 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 5.16838 5.90645 5.20592 10.4985 10.9903 8.13497 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 9.03983 6.42725 7.27401 8.70769 11.8092 5.30224 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 7.40069 7.53641 9.38462 5.58251 10.7927 8.2734 numMergedOcc 0
