0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 9.79973 7.98363 9.29529 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.93613 9.03359 8.04924 6.95341 10.4204 7.2199 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 5.99711 4.46001 7.25684 6.95341 4.71922 8.47109 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.27883 12.2054 6.93364 13.482 6.51847 7.71914 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.67545 6.82169 6.48531 10.3916 6.94067 8.47626 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.81334 5.72925 8.69209 8.39101 5.50141 9.46312 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 7.13726 4.4432 9.13207 11.5929 15.7837 7.38914 numMergedOcc 0
7 mol 94 unq 1 iso 0 dist 7.13726 4.4432 9.13207 10.2914 13.286 7.0529 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.19335 10.2495 7.59814 11.7419 9.24851 6.98849 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.5076 10.2495 9.7775 11.7419 6.19569 6.98849 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 7.34386 5.80615 9.4062 10.7899 5.21856 9.94276 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 7.34386 5.80615 9.4062 11.5344 10.0359 9.05357 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 7.34386 5.80615 9.4062 9.98051 9.07371 5.99299 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.12296 10.3187 7.01126 12.7142 5.95187 4.79852 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 8.91912 6.58235 7.37935 10.1374 10.7667 6.17451 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 11.6412 8.99405 7.51827 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.12518 7.51342 7.89801 8.42382 5.23507 6.152 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 8.12518 7.51342 7.89801 11.6985 5.92529 7.95168 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.81373 6.0331 7.18771 12.3745 10.151 6.34801 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 5.66593 4.12468 6.01071 10.7436 8.16841 9.1101 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 5.66593 4.12468 6.01071 6.9453 6.03041 8.93338 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 8.05859 12.734 6.31869 13.1372 5.30053 6.79822 numMergedOcc 0
22 mol 270 unq 1 iso 0 dist 8.05859 12.734 6.31869 13.2812 8.58393 9.17227 numMergedOcc 0
23 mol 286 unq 0 iso 0 dist 7.3415 8.56408 8.72146 16.6988 16.0782 8.81794 numMergedOcc 0
