0 mol 27 unq 0 iso 0 dist 8.28463 7.24775 14.3929 10.6901 17.0333 9.52474 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 6.43082 6.83299 6.14538 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.60577 5.39827 9.23414 11.1921 16.3962 9.25641 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.6606 8.14607 9.12845 5.19333 10.6668 7.26024 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 7.47827 7.74952 4.57085 10.2137 10.2307 5.73743 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.22406 8.57012 13.3881 5.41023 9.64443 8.91313 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.22406 9.75945 5.90097 5.41023 9.64443 8.16392 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.64856 8.74658 6.26504 6.82985 13.724 9.90168 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.38977 8.74658 7.7567 6.82985 8.40312 9.90168 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 11.4901 15.333 9.72611 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.03567 9.01369 5.4141 8.18892 9.70748 7.66165 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 6.60651 6.67699 8.50224 7.69186 10.6887 6.70531 numMergedOcc 0
14 mol 196 unq 1 iso 0 dist 6.60651 6.67699 8.50224 7.08535 12.2168 6.86319 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 7.58285 8.51516 7.32294 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 7.58285 13.8351 7.32294 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.93154 5.87056 6.00424 6.78651 9.34734 7.43071 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.93154 5.87056 6.00424 6.02375 10.4905 6.02296 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 9.93154 9.84311 10.7656 6.78651 9.34734 5.41321 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 9.18218 5.87056 9.76735 6.78651 7.56888 7.43071 numMergedOcc 0
21 mol 227 unq 4 iso 0 dist 9.18218 5.87056 9.76735 6.02375 11.0431 6.02296 numMergedOcc 0
22 mol 227 unq 5 iso 0 dist 9.18218 9.84311 5.10635 6.78651 7.56888 5.41321 numMergedOcc 0
23 mol 227 unq 6 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 numMergedOcc 0
24 mol 227 unq 7 iso 0 dist 6.18486 5.87056 9.32448 6.02375 10.0334 6.02296 numMergedOcc 0
25 mol 227 unq 8 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.29203 8.03226 10.3871 5.65307 13.6591 7.10685 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 7.62771 8.03226 6.54814 5.65307 10.0419 7.10685 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 7.80166 8.03226 14.388 5.65307 12.2442 7.10685 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 9.58494 8.60481 9.96924 13.5463 17.0865 8.00673 numMergedOcc 0
30 mol 278 unq 1 iso 0 dist 9.58494 8.60481 9.96924 5.81569 11.9259 6.62841 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 9.22576 9.52718 4.9628 12.9284 13.6856 8.91712 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 9.22576 9.52718 4.9628 6.56751 10.869 9.65934 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 9.22576 9.52718 4.9628 12.9284 13.6856 8.91712 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 9.22576 9.52718 4.9628 6.56751 10.869 9.65934 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 9.22576 9.52718 4.9628 12.9284 13.6856 8.91712 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 9.22576 9.52718 4.9628 6.56751 10.869 9.65934 numMergedOcc 0
