0 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 13.323 14.9382 6.59893 5.59128 10.303 5.02241 10.8658 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.46263 7.51978 9.65953 10.6593 10.3665 5.59773 5.59128 10.303 5.02241 10.352 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 9.48877 8.25651 10.5017 7.94744 14.9946 6.36021 7.51049 13.5586 8.75946 7.37332 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.90038 9.91446 11.7157 11.6391 18.0653 7.88564 7.39527 13.0621 4.76815 5.07584 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.90038 9.91446 11.7157 8.46662 12.0634 6.78459 7.39527 13.0621 4.76815 7.59628 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 3.71857 7.97262 6.42756 6.70767 7.6461 6.93652 9.82776 numMergedOcc 0
6 mol 141 unq 1 iso 0 dist 6.71654 4.93035 4.37081 3.71857 5.82588 6.42756 6.70767 11.0806 6.93652 9.82776 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 12.8098 17.497 9.03194 12.8521 15.6754 8.61331 9.17004 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 7.24101 7.13194 5.88384 8.83643 10.9762 9.31417 14.751 12.3291 9.29858 18.4149 numMergedOcc 0
9 mol 238 unq 1 iso 0 dist 7.24101 7.13194 5.88384 4.55701 6.86905 5.56719 14.751 12.3291 9.29858 14.7671 numMergedOcc 0
10 mol 249 unq 0 iso 0 dist 8.84212 6.93507 5.0425 6.06312 8.9281 5.78121 5.63238 10.7504 8.96876 4.16447 numMergedOcc 0
11 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.06312 8.9281 7.29898 5.63238 10.7504 8.83735 4.16447 numMergedOcc 0
12 mol 249 unq 2 iso 0 dist 8.84212 6.42827 12.6924 10.3054 14.0267 8.91685 5.63238 10.7504 8.83735 6.74838 numMergedOcc 0
13 mol 249 unq 3 iso 0 dist 7.10933 6.93507 6.45919 6.06312 10.4945 5.78121 5.63238 12.1665 8.96876 4.16447 numMergedOcc 0
14 mol 249 unq 4 iso 0 dist 7.10933 6.42827 8.71871 6.06312 10.4945 7.29898 5.63238 12.1665 8.83735 4.16447 numMergedOcc 0
15 mol 249 unq 5 iso 0 dist 7.10933 6.42827 8.71871 10.3054 15.0362 8.91685 5.63238 12.1665 8.83735 6.74838 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 9.67343 14.9743 7.04472 8.82942 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 6.32031 11.6096 6.4778 7.49834 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 9.67343 14.9743 7.04472 8.82942 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 6.32031 11.6096 6.4778 7.49834 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 9.67343 14.9743 7.04472 8.82942 numMergedOcc 0
21 mol 289 unq 1 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 6.32031 11.6096 6.4778 7.49834 numMergedOcc 0
