0 mol 10 unq 0 iso 0 dist 6.50444 9.36515 6.02543 5.94361 6.18431 9.61828 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.54508 5.03785 6.01284 7.42417 5.78532 4.82556 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.54508 5.03785 6.01284 10.5851 8.49709 6.25108 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.36381 4.36056 7.96195 6.53276 4.44526 9.22115 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.36381 4.36056 7.96195 6.81998 9.586 9.15493 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.63803 6.29311 6.73167 10.5687 6.07276 5.30297 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.90986 14.6525 6.38243 14.288 6.81793 5.66783 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 4.47883 9.55066 7.56029 9.73623 6.21128 4.85777 numMergedOcc 0
8 mol 41 unq 1 iso 0 dist 4.47883 9.55066 7.56029 10.3598 9.57024 4.02147 numMergedOcc 0
9 mol 41 unq 2 iso 0 dist 6.07514 4.15148 7.56029 7.10946 6.21128 4.85777 numMergedOcc 0
10 mol 41 unq 3 iso 0 dist 6.07514 4.15148 7.56029 5.28774 9.57024 4.02147 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.42184 5.6721 5.17145 15.0409 8.4701 9.43915 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.43496 12.2875 6.9223 15.7834 6.87506 8.67827 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.43496 4.98638 7.0561 15.7834 6.87506 13.0818 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.33961 3.92844 6.83746 11.2155 9.25444 14.6934 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 5.33961 3.92844 6.83746 9.96465 8.46823 11.4207 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.33961 8.99706 9.14707 11.2155 9.25444 16.2968 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 5.33961 8.99706 9.14707 9.96465 8.46823 8.26478 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 8.3505 8.89866 8.75597 11.9783 9.84703 8.02554 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 8.3505 8.89866 8.75597 7.43001 4.62494 11.2092 numMergedOcc 0
20 mol 98 unq 6 iso 0 dist 8.3505 15.0551 9.18457 11.9783 9.84703 16.2968 numMergedOcc 0
21 mol 98 unq 7 iso 0 dist 8.3505 15.0551 9.18457 7.43001 4.62494 8.26478 numMergedOcc 0
22 mol 98 unq 8 iso 0 dist 9.29816 5.29931 6.83746 18.3829 9.25444 14.6934 numMergedOcc 0
23 mol 98 unq 9 iso 0 dist 9.29816 5.29931 6.83746 13.7832 8.46823 11.4207 numMergedOcc 0
24 mol 98 unq 10 iso 0 dist 9.29816 7.18776 9.14707 18.3829 9.25444 16.2968 numMergedOcc 0
25 mol 98 unq 11 iso 0 dist 9.29816 7.18776 9.14707 13.7832 8.46823 8.26478 numMergedOcc 0
26 mol 98 unq 12 iso 0 dist 5.08983 10.8121 6.83746 9.51607 9.25444 14.6934 numMergedOcc 0
27 mol 98 unq 13 iso 0 dist 5.08983 10.8121 6.83746 12.5752 8.46823 11.4207 numMergedOcc 0
28 mol 98 unq 14 iso 0 dist 5.08983 13.8773 9.14707 9.51607 9.25444 16.2968 numMergedOcc 0
29 mol 98 unq 15 iso 0 dist 5.08983 13.8773 9.14707 12.5752 8.46823 8.26478 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.76097 5.57319 9.05336 5.92811 9.94998 10.0747 numMergedOcc 0
31 mol 154 unq 0 iso 0 dist 5.06116 7.86748 9.82982 9.10645 8.71789 13.1849 numMergedOcc 0
32 mol 154 unq 1 iso 0 dist 5.06116 7.86748 9.82982 4.02111 5.2693 11.4511 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 6.51523 14.0377 8.999 4.98945 7.47964 11.6944 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 6.52441 9.07895 8.31881 6.33168 6.88127 6.16503 numMergedOcc 0
35 mol 188 unq 0 iso 0 dist 7.6482 6.40978 7.79115 5.15888 8.66624 5.0782 numMergedOcc 0
36 mol 212 unq 0 iso 0 dist 5.03184 6.8255 5.50658 6.48939 9.10288 12.8059 numMergedOcc 0
37 mol 212 unq 1 iso 0 dist 5.03184 6.8255 5.50658 5.81626 6.19798 10.7914 numMergedOcc 0
38 mol 212 unq 2 iso 0 dist 5.03184 6.8255 5.50658 6.89781 7.24895 10.2513 numMergedOcc 0
39 mol 212 unq 3 iso 0 dist 5.03184 9.6542 9.10095 6.48939 9.10288 7.75271 numMergedOcc 0
40 mol 212 unq 4 iso 0 dist 5.03184 9.6542 9.10095 5.81626 6.19798 4.01146 numMergedOcc 0
41 mol 212 unq 5 iso 0 dist 5.03184 9.6542 9.10095 6.89781 7.24895 7.17538 numMergedOcc 0
42 mol 212 unq 6 iso 0 dist 5.03184 8.90296 9.22129 6.48939 9.10288 4.21442 numMergedOcc 0
43 mol 212 unq 7 iso 0 dist 5.03184 8.90296 9.22129 5.81626 6.19798 6.69225 numMergedOcc 0
44 mol 212 unq 8 iso 0 dist 5.03184 8.90296 9.22129 6.89781 7.24895 11.0496 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 7.63381 9.43815 8.88763 15.9388 8.95511 16.7674 numMergedOcc 0
46 mol 239 unq 1 iso 0 dist 7.63381 9.43815 8.88763 4.22981 5.85002 9.48848 numMergedOcc 0
47 mol 239 unq 2 iso 0 dist 7.63381 9.79222 6.43209 15.9388 8.95511 13.3917 numMergedOcc 0
48 mol 239 unq 3 iso 0 dist 7.63381 9.79222 6.43209 4.22981 5.85002 6.77384 numMergedOcc 0
49 mol 239 unq 4 iso 0 dist 7.63381 15.2256 8.48769 15.9388 8.95511 9.38172 numMergedOcc 0
50 mol 239 unq 5 iso 0 dist 7.63381 15.2256 8.48769 4.22981 5.85002 11.9537 numMergedOcc 0
51 mol 266 unq 0 iso 0 dist 6.22195 5.70666 8.20485 6.00136 9.63518 8.62248 numMergedOcc 0
52 mol 273 unq 0 iso 0 dist 8.89714 5.62645 5.4307 13.9497 5.61969 9.76492 numMergedOcc 0
53 mol 273 unq 1 iso 0 dist 8.89714 5.62645 5.4307 15.8207 9.0277 11.5256 numMergedOcc 0
54 mol 279 unq 0 iso 0 dist 7.59142 6.06247 5.81528 4.01471 7.17958 8.43508 numMergedOcc 0
