0 mol 20 unq 0 iso 0 dist 9.41097 4.55074 8.72342 10.6078 3.59314 8.26091 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 6.40741 7.58092 7.37118 11.2523 8.00615 4.75881 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.46554 7.84827 9.42099 7.37491 3.85506 9.05737 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.99001 6.38985 8.40186 9.77004 7.06935 9.05737 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 5.79841 10.8177 8.04853 8.77872 5.22259 6.67137 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 5.79841 10.8177 8.04853 10.2652 7.66499 7.04244 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.66742 5.49646 8.4219 9.25447 3.98877 8.10623 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.76109 4.98735 5.56839 7.37377 5.01255 5.20429 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 5.76109 4.98735 5.56839 12.792 9.11323 8.71366 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.0955 4.98735 7.83506 7.37377 8.98901 5.20429 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.0955 4.98735 7.83506 12.792 8.52329 8.71366 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.80549 4.45608 9.62774 7.43587 5.16197 5.60448 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 9.82224 3.41036 9.9042 6.63784 11.1328 8.30069 numMergedOcc 0
13 mol 193 unq 1 iso 0 dist 9.82224 3.41036 9.9042 9.00934 11.6691 8.83551 numMergedOcc 0
14 mol 193 unq 2 iso 0 dist 8.95886 3.41036 6.21262 6.63784 11.4882 8.30069 numMergedOcc 0
15 mol 193 unq 3 iso 0 dist 8.95886 3.41036 6.21262 9.00934 9.7301 8.83551 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 6.67239 3.79439 9.89191 10.2171 16.2332 9.64861 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 9.6479 15.9194 9.73723 9.137 5.68255 8.66299 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 9.56169 14.2203 8.79261 12.6872 8.78384 5.88958 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 9.56169 17.6669 9.99125 12.6872 8.78384 7.78121 numMergedOcc 0
20 mol 285 unq 2 iso 0 dist 8.02964 4.31553 8.79261 9.28059 8.78384 5.88958 numMergedOcc 0
21 mol 285 unq 3 iso 0 dist 8.02964 5.02414 9.99125 9.28059 8.78384 7.78121 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.9316 13.9634 9.25759 9.77377 5.39801 4.68668 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.9316 13.9634 9.25759 9.77377 5.39801 4.68668 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.9316 13.9634 9.25759 9.77377 5.39801 4.68668 numMergedOcc 0
