0 mol 11 unq 0 iso 0 dist 9.76233 8.86982 9.10105 13.4378 9.81983 5.27651 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.76233 10.1793 9.08001 13.4378 9.81983 6.28147 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 6.31487 9.03058 7.41497 6.32707 8.69709 11.247 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 7.423 7.73529 7.41497 11.4741 8.69709 11.247 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.32472 4.63733 8.05406 7.57532 7.37118 4.15396 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.61514 9.59233 8.09327 15.3449 9.13593 14.0774 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.21116 9.59233 6.7686 15.3449 8.25144 14.0774 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.91023 4.43351 8.85795 11.5585 9.90672 13.5064 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.91023 4.43351 8.85795 6.1745 7.55367 3.96595 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 5.56913 4.2038 5.52204 4.60771 9.82836 6.76811 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 5.56913 4.2038 5.52204 6.85703 6.5788 4.21545 numMergedOcc 0
11 mol 117 unq 2 iso 0 dist 5.56913 4.2038 5.52204 9.39186 6.2771 6.72229 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.18165 11.2327 7.09378 15.414 9.84538 11.8219 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 6.18165 5.0573 7.57745 15.414 9.84538 17.287 numMergedOcc 0
14 mol 281 unq 0 iso 0 dist 8.78416 10.7518 6.16842 13.7467 6.18742 10.0155 numMergedOcc 0
15 mol 281 unq 1 iso 0 dist 9.22428 10.7518 4.16004 13.7467 6.8089 10.0155 numMergedOcc 0
16 mol 281 unq 2 iso 0 dist 7.82358 11.6332 6.16842 12.8593 6.18742 10.0155 numMergedOcc 0
17 mol 281 unq 3 iso 0 dist 7.95687 8.09217 4.16004 13.7172 6.8089 10.0155 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.96707 12.8863 8.26789 16.0629 9.23152 12.2625 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.96707 12.8863 8.26789 16.0629 9.23152 12.2625 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.96707 12.8863 8.26789 16.0629 9.23152 12.2625 numMergedOcc 0
