0 mol 24 unq 0 iso 0 dist 8.62284 7.22293 5.47982 6.72423 9.41655 11.6836 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.62284 7.22293 5.47982 4.0664 6.803 8.02322 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.38074 7.98041 7.37857 4.15828 6.31089 4.23443 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 5.38074 4.08844 8.08195 4.15828 6.31089 5.4811 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.07545 7.98041 4.7978 4.15828 7.07502 4.23443 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 6.77538 4.08844 5.78587 4.15828 8.48468 5.4811 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.58568 8.06019 7.57624 4.10948 7.78893 7.63516 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 8.58568 8.06019 7.57624 8.812 5.85146 3.68767 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.62481 4.10412 8.28877 3.75088 8.64444 5.62118 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.69209 9.08973 9.23985 3.83015 6.97741 5.39278 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.20197 10.1497 9.93806 11.6562 7.87729 8.53624 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 7.92876 4.81641 6.63857 6.10261 4.72339 5.39108 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 7.92876 4.81641 6.63857 4.42903 6.48902 7.4253 numMergedOcc 0
13 mol 111 unq 2 iso 0 dist 7.92876 4.81641 6.63857 13.0195 7.21505 13.201 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.87025 4.15435 8.81779 12.2671 7.62197 13.139 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 5.85818 9.54775 8.81779 3.71283 7.62197 13.139 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 8.01587 10.1812 9.36023 12.9241 8.3735 9.92974 numMergedOcc 0
17 mol 140 unq 1 iso 0 dist 8.01587 14.6057 9.43159 12.9241 8.3735 3.25348 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 6.39981 6.39711 9.38045 5.30823 8.06621 10.2577 numMergedOcc 0
19 mol 182 unq 0 iso 0 dist 8.89822 3.88566 6.03308 15.2041 8.62437 11.3731 numMergedOcc 0
20 mol 182 unq 1 iso 0 dist 8.89822 3.88566 6.03308 9.61248 7.07405 5.85967 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.42696 4.13682 6.61806 3.72865 5.19567 5.73483 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 5.42696 10.0576 7.85966 3.72865 5.19567 12.2139 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 6.23898 7.51787 6.45821 4.24855 5.4621 3.33782 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 6.23898 7.51787 6.45821 5.31276 8.91819 9.06704 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 8.85215 10.0105 7.74885 4.47722 7.83105 9.09582 numMergedOcc 0
26 mol 230 unq 1 iso 0 dist 8.85215 10.0105 7.74885 9.50055 5.63025 3.83847 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 7.33613 12.5901 8.32964 5.11578 8.96803 16.3355 numMergedOcc 0
28 mol 237 unq 1 iso 0 dist 7.33613 12.5901 8.32964 13.2415 7.95072 5.16567 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 5.2361 4.17197 6.77555 14.0295 9.76731 15.1194 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 5.2361 4.17197 6.77555 10.3309 8.38599 10.8739 numMergedOcc 0
31 mol 252 unq 2 iso 0 dist 5.57515 9.43565 6.77555 7.41325 9.76731 15.1194 numMergedOcc 0
32 mol 252 unq 3 iso 0 dist 5.57515 9.43565 6.77555 7.40276 8.38599 10.8739 numMergedOcc 0
33 mol 252 unq 4 iso 0 dist 8.28694 10.6687 6.77555 6.68865 9.76731 15.1194 numMergedOcc 0
34 mol 252 unq 5 iso 0 dist 8.28694 10.6687 6.77555 3.93498 8.38599 10.8739 numMergedOcc 0
35 mol 282 unq 0 iso 0 dist 9.96468 12.0022 7.44686 14.9487 9.9322 6.07125 numMergedOcc 0
36 mol 282 unq 1 iso 0 dist 9.96468 15.6856 9.82855 14.9487 9.9322 4.55093 numMergedOcc 0
37 mol 282 unq 2 iso 0 dist 9.96468 12.0509 8.62579 14.9487 9.9322 3.11193 numMergedOcc 0
38 mol 282 unq 3 iso 0 dist 9.59817 14.6345 7.44686 17.4495 9.9322 6.07125 numMergedOcc 0
39 mol 282 unq 4 iso 0 dist 9.59817 18.1015 9.82855 17.4495 9.9322 4.55093 numMergedOcc 0
40 mol 282 unq 5 iso 0 dist 9.59817 14.8528 8.62579 17.4495 9.9322 3.11193 numMergedOcc 0
