0 mol 11 unq 0 iso 0 dist 6.79478 16.1353 9.53002 4.13124 8.01262 16.7805 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.79478 16.1353 9.53002 13.0674 6.58046 3.56133 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.74445 12.8035 9.83618 5.46849 9.02471 10.4465 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 13.6875 7.17488 4.43437 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.0614 12.5495 7.87814 8.33013 5.25027 9.64347 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 8.0614 12.5495 7.87814 9.53139 4.37025 4.39784 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.42445 10.453 8.71128 13.1958 9.93438 5.80637 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.97145 10.4276 6.91348 5.51548 8.80895 6.25029 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 8.97145 14.8011 9.51418 5.51548 8.80895 13.4297 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 6.5874 4.96935 6.91348 5.61122 8.80895 6.25029 numMergedOcc 0
10 mol 131 unq 3 iso 0 dist 6.5874 7.83921 9.51418 5.61122 8.80895 13.4297 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.42756 9.82776 6.93652 6.97119 7.46621 5.72856 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.18866 12.8257 8.33261 6.99467 6.73617 6.60281 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 9.18866 12.8257 8.33261 4.53687 9.03544 9.65163 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.10619 10.5988 9.13561 17.3816 9.00072 11.2183 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.00898 13.7622 9.52634 10.8953 9.19156 16.559 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 8.0974 11.6559 8.96511 12.4011 4.72821 8.86443 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 5.36776 9.09314 7.14834 12.8843 9.6834 4.46167 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.73296 5.28906 6.49982 8.9947 8.03012 6.93346 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.90434 9.14131 9.41725 11.5613 4.9764 13.6468 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 6.90434 9.14131 9.41725 13.0566 6.36559 13.3297 numMergedOcc 0
