0 mol 32 unq 0 iso 0 dist 7.6082 9.43074 5.07365 3.82644 6.93709 6.59787 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 4.09276 4.85885 8.14455 3.82644 6.38271 7.23274 numMergedOcc 0
2 mol 32 unq 2 iso 0 dist 9.24687 4.77113 5.07365 7.47409 6.93709 6.59787 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 5.68877 4.31815 6.44329 5.22301 9.36493 4.62291 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 5.68877 4.31815 6.44329 9.36704 9.0665 5.28477 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 5.68877 4.31815 6.44329 12.1168 7.07773 10.6246 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 5.68877 8.62215 8.94846 5.22301 9.36493 12.295 numMergedOcc 0
7 mol 34 unq 4 iso 0 dist 5.68877 8.62215 8.94846 9.36704 9.0665 16.5713 numMergedOcc 0
8 mol 34 unq 5 iso 0 dist 5.68877 8.62215 8.94846 12.1168 7.07773 14.9436 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 7.41011 12.906 8.99723 3.76713 9.80946 14.5467 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 8.34361 12.1383 4.54428 2.97898 9.63616 13.0814 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 6.96066 15.7768 9.97253 5.73969 4.5892 10.5865 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.04448 8.19607 7.80347 9.39313 5.24616 4.65764 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.18252 12.8361 9.0433 3.8493 5.85622 9.37241 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 8.18252 16.0872 9.93729 3.8493 5.85622 13.68 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 7.55531 6.78663 9.0433 3.78499 5.85622 9.37241 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 7.55531 12.3744 9.93729 3.78499 5.85622 13.68 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 8.85708 8.6257 9.14994 13.3692 8.16392 15.1381 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.46875 10.4143 9.12773 3.97269 8.44004 7.51072 numMergedOcc 0
19 mol 172 unq 0 iso 0 dist 8.2809 5.71709 8.4615 8.78717 7.3485 9.78083 numMergedOcc 0
20 mol 185 unq 0 iso 0 dist 7.18997 8.51 8.21075 3.82689 7.35584 4.96002 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.87224 9.61496 9.01934 13.7613 7.99963 8.18179 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 7.30582 9.21526 9.86427 8.48642 9.87415 12.788 numMergedOcc 0
