0 mol 34 unq 0 iso 0 dist 9.48195 5.3372 9.99939 6.17472 15.1968 6.87871 13.0456 19.1023 9.24927 8.95909 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.07773 4.30086 9.99939 11.0775 15.1968 6.87871 12.4634 19.1023 9.24927 8.95909 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.1568 6.31521 8.83233 12.3704 7.10133 9.23576 12.2513 7.63536 7.50293 7.35595 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 9.1568 6.31521 8.83233 12.3704 7.10133 9.23576 11.6716 4.04384 9.91611 8.59794 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.80117 9.69698 9.02471 8.58709 5.46849 9.74445 15.7652 12.6657 8.80331 10.323 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.80117 9.69698 9.02471 8.58709 5.46849 9.74445 15.8918 14.0654 6.20293 14.445 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 9.79386 5.90113 9.02471 7.53564 5.46849 9.74445 9.17086 12.6657 8.80331 10.323 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 9.79386 5.90113 9.02471 7.53564 5.46849 9.74445 10.615 14.0654 6.20293 14.445 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.7576 5.33851 6.23522 8.40844 8.0072 9.68526 10.1112 4.73407 9.38498 8.31041 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.7576 5.33851 6.23522 6.99156 9.61302 9.72442 10.1112 4.73407 9.38498 11.7069 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 9.5434 5.09542 5.54256 7.73836 8.94532 9.01767 9.84673 3.48119 7.36792 6.42572 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 9.5434 5.09542 5.54256 10.8539 6.94341 9.80678 9.84673 3.48119 7.36792 5.54551 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 8.08737 7.21898 4.42563 12.1456 12.2092 8.33083 15.1331 7.90729 8.37808 12.4383 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.12319 10.9365 5.92733 8.26291 4.81304 7.83619 13.2314 6.00473 9.28393 10.0837 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 8.12319 10.9365 5.92733 17.9497 11.0219 9.91643 13.2314 6.00473 9.28393 7.40242 numMergedOcc 0
15 mol 130 unq 2 iso 0 dist 9.04366 5.63567 5.92733 7.86001 4.81304 7.83619 12.6804 6.00473 9.28393 10.0837 numMergedOcc 0
16 mol 130 unq 3 iso 0 dist 9.04366 5.63567 5.92733 13.5796 11.0219 9.91643 12.6804 6.00473 9.28393 7.40242 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 8.44004 5.29825 8.80895 5.50364 5.51548 8.97145 12.0117 11.6692 6.85062 14.257 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 8.44004 5.29825 8.80895 8.7301 5.61122 6.5874 12.0117 11.6692 6.85062 7.60371 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 7.19751 9.72213 9.19156 8.39634 10.8953 9.00898 13.5463 13.8965 9.29945 5.96451 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.99963 4.77446 4.43499 4.21935 7.72768 6.37342 6.83046 4.32238 6.16342 5.29737 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 5.57978 10.4505 5.4557 14.9652 9.93118 5.81927 8.44862 4.02333 6.97229 9.49027 numMergedOcc 0
