0 mol 14 unq 0 iso 0 dist 8.13983 5.63648 6.38364 10.9956 5.49061 6.89209 9.42142 7.00835 8.39221 6.09608 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 6.45858 4.05028 6.38364 9.63512 5.49061 6.89209 10.2498 7.00835 8.39221 6.09608 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 11.5166 5.46309 9.70415 15.5461 10.7369 9.62468 14.0458 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.22002 6.16737 6.65721 11.5166 5.46309 9.70415 10.9902 5.4671 5.92705 6.47853 numMergedOcc 0
4 mol 61 unq 2 iso 0 dist 7.52103 6.16737 6.72123 11.5166 11.9897 9.70415 15.5461 11.5608 9.62468 14.0458 numMergedOcc 0
5 mol 61 unq 3 iso 0 dist 7.52103 6.16737 6.72123 11.5166 11.9897 9.70415 10.9902 10.1513 5.92705 6.47853 numMergedOcc 0
6 mol 61 unq 4 iso 0 dist 8.46556 4.90701 6.72123 14.542 11.9897 9.70415 9.67403 11.5608 9.62468 14.0458 numMergedOcc 0
7 mol 61 unq 5 iso 0 dist 8.46556 4.90701 6.72123 14.542 11.9897 9.70415 9.7314 10.1513 5.92705 6.47853 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 7.75811 4.8042 5.83409 7.68053 6.1985 8.44515 10.7828 5.49044 7.49054 11.6592 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 7.75811 4.8042 5.83409 10.0403 6.45992 9.41382 10.7828 5.49044 7.49054 5.79126 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 11.6716 5.29855 7.51061 7.66832 5.5332 8.21889 5.07258 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 11.6509 5.21051 7.0318 18.0633 14.3476 7.70533 10.7285 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 8.90977 13.8755 7.90328 13.1924 5.21051 7.0318 20.747 14.3476 7.70533 10.7285 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 8.32241 4.84035 6.06638 10.6754 5.50061 6.24392 12.7621 9.07346 9.06961 5.28929 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 13.7766 11.3502 8.99949 14.524 14.257 8.97145 7.31861 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 13.7766 11.3502 8.99949 10.9705 7.60371 6.5874 4.55152 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 10.7258 12.9212 8.71409 9.97171 5.82028 9.67457 17.7409 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 8.6537 8.65216 8.22528 13.0602 5.65373 8.8557 17.1493 11.9226 9.84492 9.61847 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 9.18345 5.33697 6.06422 12.1043 10.8336 6.83152 7.10888 numMergedOcc 0
