0 mol 0 unq 0 iso 0 dist 7.37981 10.169 9.23213 10.1803 10.3034 6.3267 7.30381 5.24778 8.34244 6.0597 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19621 11.8799 9.23213 15.678 10.3034 6.3267 11.9766 5.24778 8.34244 6.0597 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.79478 16.1353 9.53002 14.4856 7.85924 5.43238 16.1805 10.9183 8.73067 8.17605 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 22.0835 12.7331 6.96494 11.799 5.49591 9.11258 13.4366 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.56737 17.0485 8.89374 16.5678 7.05413 7.01363 11.799 5.49591 9.11258 8.88332 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 6.6003 5.78769 9.54144 9.14856 5.68303 8.4517 11.9735 11.4485 9.32552 6.90629 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.64783 7.19662 6.73814 14.6135 12.1324 9.86739 16.9807 13.7032 9.83981 9.47219 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 8.64783 7.19662 6.73814 9.84759 6.95201 8.39249 16.9807 13.7032 9.83981 14.0577 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 8.64783 7.19662 6.73814 13.8868 5.9968 8.93623 16.9807 13.7032 9.83981 10.6837 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 9.93572 5.36419 7.27371 7.79467 8.17877 5.63811 11.4012 7.3833 8.60108 4.35399 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 9.93572 5.36419 7.27371 11.7363 4.6872 7.49546 11.4012 7.3833 8.60108 9.73775 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.42756 9.82776 6.93652 11.288 7.57216 6.2135 12.4715 7.42649 5.26989 8.7258 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.42756 9.82776 6.93652 11.288 7.57216 6.2135 15.9998 10.6531 7.76442 6.67552 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.30021 10.3893 6.27641 11.6317 6.29785 6.90155 9.6281 5.4555 5.81122 10.143 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.69888 14.6255 9.8589 17.6319 11.0415 4.79852 15.8107 8.29015 5.4997 4.30489 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 8.69888 14.6255 9.8589 17.6319 11.0415 4.79852 21.213 14.7282 6.99693 4.57622 numMergedOcc 0
16 mol 175 unq 2 iso 0 dist 5.08206 11.5085 9.8589 14.1664 11.0415 4.79852 11.0322 8.29015 5.4997 4.30489 numMergedOcc 0
17 mol 175 unq 3 iso 0 dist 5.08206 11.5085 9.8589 14.1664 11.0415 4.79852 17.0306 14.7282 6.99693 4.57622 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.90381 10.8128 7.50578 16.4938 11.5772 8.76313 18.1912 14.3125 8.92185 5.19922 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.90381 10.8128 7.50578 13.252 7.44916 7.4363 18.1912 14.3125 8.92185 10.2977 numMergedOcc 0
