0 mol 22 unq 0 iso 0 dist 9.00263 8.05363 4.7626 8.05386 4.17649 4.52873 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.26742 9.27448 10.3386 8.69224 8.97662 7.60393 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.26742 9.07927 13.8914 8.69224 8.97662 7.23535 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.26742 8.50987 15.924 8.69224 8.97662 9.92243 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.56621 9.74289 7.1369 6.82511 5.37935 10.6721 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.01128 9.58693 9.30656 5.61418 4.05759 9.53244 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.01128 9.48388 14.8937 5.61418 4.05759 11.115 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 5.58941 8.23251 4.79998 9.26699 9.58969 8.69708 numMergedOcc 0
8 mol 101 unq 1 iso 0 dist 5.58941 7.42893 5.16122 9.26699 9.58969 7.89838 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 8.2592 8.26309 5.22375 7.91691 11.5904 7.60664 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 9.51379 9.06272 15.0369 5.5917 8.17376 10.3933 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 9.51379 9.06272 15.0369 5.24806 6.47582 9.27274 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 6.8754 7.53748 5.14202 8.47439 8.64743 4.07587 numMergedOcc 0
13 mol 211 unq 0 iso 0 dist 7.03051 7.66285 6.13472 7.78316 12.0324 9.1709 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.61361 4.71754 7.17028 7.39043 10.6705 3.57917 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 7.34573 9.0157 13.2709 5.3865 10.5184 5.57138 numMergedOcc 0
16 mol 249 unq 1 iso 0 dist 7.34573 9.14351 9.82483 5.3865 10.5184 10.3504 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 9.62474 8.82941 18.4374 7.51951 10.1478 13.1885 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 8.01441 8.82941 5.928 7.51951 8.68515 13.1885 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 7.64578 6.45955 5.25596 7.33086 12.6108 8.13925 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 7.64578 6.45955 5.25596 7.88971 14.8518 12.1489 numMergedOcc 0
21 mol 294 unq 2 iso 0 dist 7.64578 6.45955 5.25596 6.82335 10.2032 6.18981 numMergedOcc 0
22 mol 294 unq 3 iso 0 dist 7.64578 8.86937 5.28447 7.33086 12.6108 11.3477 numMergedOcc 0
23 mol 294 unq 4 iso 0 dist 7.64578 8.86937 5.28447 7.88971 14.8518 15.8772 numMergedOcc 0
24 mol 294 unq 5 iso 0 dist 7.64578 8.86937 5.28447 6.82335 10.2032 7.45368 numMergedOcc 0
25 mol 294 unq 6 iso 0 dist 5.85292 5.71661 5.25596 9.32126 12.6108 8.13925 numMergedOcc 0
26 mol 294 unq 7 iso 0 dist 5.85292 5.71661 5.25596 9.38111 14.8518 12.1489 numMergedOcc 0
27 mol 294 unq 8 iso 0 dist 5.85292 5.71661 5.25596 9.14005 10.2032 6.18981 numMergedOcc 0
28 mol 294 unq 9 iso 0 dist 5.85292 8.98536 5.28447 9.32126 12.6108 11.3477 numMergedOcc 0
29 mol 294 unq 10 iso 0 dist 5.85292 8.98536 5.28447 9.38111 14.8518 15.8772 numMergedOcc 0
30 mol 294 unq 11 iso 0 dist 5.85292 8.98536 5.28447 9.14005 10.2032 7.45368 numMergedOcc 0
31 mol 294 unq 12 iso 0 dist 6.28096 6.45955 9.87129 7.33086 6.89306 8.13925 numMergedOcc 0
32 mol 294 unq 13 iso 0 dist 6.28096 6.45955 9.87129 7.88971 9.62266 12.1489 numMergedOcc 0
33 mol 294 unq 14 iso 0 dist 6.28096 6.45955 9.87129 6.82335 5.33113 6.18981 numMergedOcc 0
34 mol 294 unq 15 iso 0 dist 6.28096 8.86937 10.5605 7.33086 6.89306 11.3477 numMergedOcc 0
35 mol 294 unq 16 iso 0 dist 6.28096 8.86937 10.5605 7.88971 9.62266 15.8772 numMergedOcc 0
36 mol 294 unq 17 iso 0 dist 6.28096 8.86937 10.5605 6.82335 5.33113 7.45368 numMergedOcc 0
