0 mol 68 unq 0 iso 0 dist 5.73908 7.27578 5.26566 10.4101 6.07491 8.82347 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.29328 9.02053 7.17133 11.1433 4.02596 7.41719 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 8.29328 9.02053 7.17133 17.5557 12.6601 8.93237 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.09675 8.22845 4.8983 6.70925 7.78899 6.8173 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.02753 6.96897 4.8983 8.95756 7.78899 6.8173 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.53726 11.0283 6.34669 9.88184 7.30364 9.22123 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.22651 10.0473 9.51771 8.07962 6.43211 9.61193 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 5.32892 7.08749 9.51771 7.58908 6.43211 9.61193 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.40577 5.40104 7.4113 10.7569 3.97585 9.00059 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 7.40577 5.40104 7.4113 10.5475 14.7066 9.87517 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 7.40577 5.40104 7.4113 10.067 10.8705 7.90713 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.09918 5.78374 7.75833 8.89412 4.1643 6.94015 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 4.69402 5.56456 6.67937 8.63817 5.16554 9.88156 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.96416 8.87194 9.35049 11.3584 7.72261 6.30568 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.28415 7.06015 8.12558 6.32669 7.38452 7.53168 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 9.8446 14.9166 5.93144 18.7224 9.78341 5.03758 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.15795 6.58331 7.80268 9.92635 6.08414 4.77438 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 8.72128 5.46887 7.80268 7.85507 6.08414 4.77438 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 5.83898 3.85596 5.97886 9.01869 4.96821 6.92364 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 9.53211 3.29359 9.3491 9.91271 6.33602 9.32492 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 8.55211 9.04755 6.90472 10.0124 10.4884 7.30584 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 6.76192 11.7613 9.31611 10.8411 4.38561 9.7875 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 6.76192 11.7613 9.31611 10.8411 4.38561 9.7875 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 6.76192 11.7613 9.31611 10.8411 4.38561 9.7875 numMergedOcc 0
