0 mol 34 unq 0 iso 0 dist 6.17472 9.48195 15.1968 5.3372 6.87871 9.99939 13.0456 8.95909 19.1023 9.24927 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 7.80117 5.46849 9.69698 9.74445 9.02471 15.7652 10.323 12.6657 8.80331 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.58709 7.80117 5.46849 9.69698 9.74445 9.02471 15.8918 14.445 14.0654 6.20293 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 7.53564 9.79386 5.46849 5.90113 9.74445 9.02471 9.17086 10.323 12.6657 8.80331 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.53564 9.79386 5.46849 5.90113 9.74445 9.02471 10.615 14.445 14.0654 6.20293 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.84699 5.7576 8.69689 5.33851 11.7436 6.23522 10.1112 10.4716 4.73407 9.38498 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.84699 5.7576 8.69689 8.3449 11.905 9.10566 6.10011 8.04817 3.85805 5.93252 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.40844 5.7576 8.0072 5.33851 9.68526 6.23522 10.1112 8.31041 4.73407 9.38498 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 8.40844 5.7576 8.0072 8.3449 14.8258 9.10566 6.10011 9.76331 3.85805 5.93252 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 6.99156 5.7576 9.61302 5.33851 9.72442 6.23522 10.1112 11.7069 4.73407 9.38498 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 6.99156 5.7576 9.61302 8.3449 14.0323 9.10566 6.10011 10.4402 3.85805 5.93252 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.68277 6.50622 4.90647 5.58109 13.4136 9.85512 5.57265 10.1493 5.34874 7.9245 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 9.68277 4.45433 7.30597 5.58109 13.4136 8.97888 5.57265 10.1493 3.68023 7.9245 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 7.73836 9.5434 8.94532 5.09542 9.01767 5.54256 9.84673 6.42572 3.48119 7.36792 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 8.26291 8.12319 4.81304 10.9365 7.83619 5.92733 13.2314 10.0837 6.00473 9.28393 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 7.86001 9.04366 4.81304 5.63567 7.83619 5.92733 12.6804 10.0837 6.00473 9.28393 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 5.50364 8.44004 5.51548 5.29825 8.97145 8.80895 12.0117 14.257 11.6692 6.85062 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 8.7301 8.44004 5.61122 5.29825 6.5874 8.80895 12.0117 7.60371 11.6692 6.85062 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.39634 7.19751 10.8953 9.72213 9.00898 9.19156 13.5463 5.96451 13.8965 9.29945 numMergedOcc 0
19 mol 231 unq 0 iso 0 dist 6.73226 6.8533 11.6438 10.613 16.203 7.3268 8.91036 11.548 6.63423 7.37839 numMergedOcc 0
20 mol 231 unq 1 iso 0 dist 6.73226 6.8533 11.6438 10.613 16.203 7.3268 12.2364 14.4653 10.3815 8.40182 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 4.21935 7.99963 7.72768 4.77446 6.37342 4.43499 6.83046 5.29737 4.32238 6.16342 numMergedOcc 0
