0 mol 2 unq 0 iso 0 dist 9.53758 17.4203 9.57674 15.897 7.93028 11.2848 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.16345 6.10997 7.24295 7.94103 8.91529 8.21763 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.17472 6.10716 6.40741 5.26203 9.45239 10.8237 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.17472 5.61463 9.31366 5.26203 9.45239 9.4466 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 8.16059 9.61868 9.81193 4.22256 8.16183 5.8481 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.27592 11.597 9.99691 6.50345 9.43916 16.8856 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 7.75237 5.86791 8.63476 9.86951 8.23389 5.42064 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.23435 13.3681 9.71873 5.77267 8.16712 13.0054 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.51608 6.20053 6.84747 5.11284 8.44819 5.98647 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 9.51608 7.70147 7.75436 5.11284 8.44819 10.4345 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 8.62536 4.90088 6.84747 10.5162 8.44819 5.98647 numMergedOcc 0
11 mol 76 unq 3 iso 0 dist 8.62536 7.5659 7.75436 10.5162 8.44819 10.4345 numMergedOcc 0
12 mol 89 unq 0 iso 0 dist 9.14778 7.88685 9.67681 14.2364 8.68698 8.7306 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 9.17909 5.27499 9.75656 7.13056 6.88696 10.0279 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 9.37708 16.6573 9.75656 8.58795 6.88696 10.0279 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 8.26291 9.33864 5.05277 12.9175 8.15289 4.15966 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 7.86001 5.6007 5.05277 6.65871 8.15289 4.15966 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.51265 13.1683 7.35385 6.94742 4.33805 11.0215 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 8.51265 9.00056 8.35864 6.94742 4.33805 10.7779 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.81282 10.6499 5.5781 16.3902 8.41645 6.21643 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 5.13722 4.84884 5.0207 7.10924 9.16535 10.6777 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 7.72242 10.6772 8.96522 10.2336 7.578 6.61715 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 7.72242 4.71967 7.04366 10.2336 7.578 6.01624 numMergedOcc 0
23 mol 192 unq 2 iso 0 dist 7.72242 6.75301 9.99783 10.2336 7.578 13.4418 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 7.14871 5.10459 7.32556 5.4269 6.5608 5.89893 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 7.14871 9.24673 9.28689 5.4269 6.5608 7.25529 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 7.14871 8.92958 9.1654 5.4269 6.5608 11.3488 numMergedOcc 0
27 mol 219 unq 0 iso 0 dist 7.98941 14.1483 9.30312 11.321 8.38773 5.75906 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 8.8978 6.2709 5.68253 4.98225 9.432 4.11062 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 9.60437 6.23992 5.98438 9.84746 7.89993 7.64155 numMergedOcc 0
30 mol 247 unq 0 iso 0 dist 9.48468 4.85779 9.9667 16.1686 7.95874 14.8141 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.42812 13.008 5.92532 17.13 8.18813 6.64795 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.76889 4.99186 8.16582 7.51644 5.8845 9.85432 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 7.04397 8.17282 8.16582 3.75346 5.8845 9.85432 numMergedOcc 0
