0 mol 16 unq 0 iso 0 dist 8.63347 5.38671 6.57331 5.45161 8.43054 6.92781 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.63347 5.45161 8.43054 5.38671 6.57331 6.92781 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 5.36413 5.17518 6.07517 7.18789 6.74179 5.34368 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 5.36413 7.18789 6.74179 5.17518 6.07517 5.34368 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 9.30604 7.11245 6.07517 5.05661 6.74179 5.34368 numMergedOcc 0
5 mol 30 unq 1 iso 1 dist 9.30604 5.05661 6.74179 7.11245 6.07517 5.34368 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.23033 6.6796 6.6263 10.2523 6.75943 8.13395 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 9.23033 10.2523 6.75943 6.6796 6.6263 8.13395 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.37273 8.66168 9.8703 7.1369 7.39665 14.224 numMergedOcc 0
9 mol 68 unq 0 iso 1 dist 6.37273 7.1369 7.39665 8.66168 9.8703 14.224 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 5.72472 5.61588 8.07446 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 7.91605 5.72472 5.61588 6.71593 5.5087 8.07446 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.43707 6.71593 6.08682 5.72472 7.83244 8.07446 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 6.43707 5.72472 7.83244 6.71593 6.08682 8.07446 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 6.89706 8.44462 7.51139 6.07226 7.80898 12.1547 numMergedOcc 0
15 mol 88 unq 0 iso 1 dist 6.89706 6.07226 7.80898 8.44462 7.51139 12.1547 numMergedOcc 0
16 mol 105 unq 0 iso 0 dist 9.11206 7.16724 9.16718 7.70748 7.94633 5.68291 numMergedOcc 0
17 mol 105 unq 0 iso 1 dist 9.11206 7.70748 7.94633 7.16724 9.16718 5.68291 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.58666 6.64056 7.7988 6.29647 9.40824 4.97527 numMergedOcc 0
19 mol 112 unq 0 iso 1 dist 9.58666 6.29647 9.40824 6.64056 7.7988 4.97527 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 9.58666 6.64056 7.7988 9.6717 4.22363 6.34999 numMergedOcc 0
21 mol 112 unq 1 iso 1 dist 9.58666 9.6717 4.22363 6.64056 7.7988 6.34999 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 9.58666 6.29647 9.40824 9.6717 4.22363 6.72751 numMergedOcc 0
23 mol 112 unq 1 iso 1 dist 9.58666 9.6717 4.22363 6.29647 9.40824 6.72751 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 9.17001 11.1351 7.79505 6.08871 7.36199 6.55997 numMergedOcc 0
25 mol 127 unq 0 iso 1 dist 9.17001 6.08871 7.36199 11.1351 7.79505 6.55997 numMergedOcc 0
26 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 11.2005 9.51256 8.56034 numMergedOcc 0
27 mol 170 unq 0 iso 1 dist 8.95292 11.2005 9.51256 8.83341 9.08274 8.56034 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.82338 9.653 8.90571 10.568 6.61112 7.09479 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 9.82338 10.568 6.61112 9.653 8.90571 7.09479 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 8.38813 9.92743 8.75536 12.0573 7.33709 4.72474 numMergedOcc 0
31 mol 218 unq 0 iso 1 dist 8.38813 12.0573 7.33709 9.92743 8.75536 4.72474 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 8.38813 9.92743 8.75536 8.31343 6.67404 6.17651 numMergedOcc 0
33 mol 218 unq 1 iso 1 dist 8.38813 8.31343 6.67404 9.92743 8.75536 6.17651 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 8.38813 12.0573 7.33709 8.31343 6.67404 5.61978 numMergedOcc 0
35 mol 218 unq 1 iso 1 dist 8.38813 8.31343 6.67404 12.0573 7.33709 5.61978 numMergedOcc 0
36 mol 219 unq 0 iso 0 dist 8.38773 10.0509 4.33238 5.48556 7.83604 7.02195 numMergedOcc 0
37 mol 219 unq 0 iso 1 dist 8.38773 5.48556 7.83604 10.0509 4.33238 7.02195 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 5.52688 9.78218 10.3613 numMergedOcc 0
39 mol 224 unq 0 iso 1 dist 8.83742 5.52688 9.78218 10.9485 8.08349 10.3613 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 11.9322 5.1823 7.218 numMergedOcc 0
41 mol 235 unq 0 iso 1 dist 8.31344 11.9322 5.1823 15.2767 8.19317 7.218 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 6.83837 5.0871 6.99888 7.34986 9.08509 10.1813 numMergedOcc 0
43 mol 238 unq 0 iso 1 dist 6.83837 7.34986 9.08509 5.0871 6.99888 10.1813 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 10.9704 9.34438 11.347 numMergedOcc 0
45 mol 239 unq 0 iso 1 dist 7.69491 10.9704 9.34438 5.29737 6.73665 11.347 numMergedOcc 0
46 mol 239 unq 1 iso 0 dist 7.69491 5.29737 6.73665 12.551 9.35949 7.97994 numMergedOcc 0
47 mol 239 unq 1 iso 1 dist 7.69491 12.551 9.35949 5.29737 6.73665 7.97994 numMergedOcc 0
48 mol 239 unq 1 iso 0 dist 7.69491 10.9704 9.34438 12.551 9.35949 11.2636 numMergedOcc 0
49 mol 239 unq 1 iso 1 dist 7.69491 12.551 9.35949 10.9704 9.34438 11.2636 numMergedOcc 0
50 mol 239 unq 2 iso 0 dist 6.64008 11.4465 6.73665 5.08687 9.34438 11.347 numMergedOcc 0
51 mol 239 unq 2 iso 1 dist 6.64008 5.08687 9.34438 11.4465 6.73665 11.347 numMergedOcc 0
52 mol 239 unq 3 iso 0 dist 6.64008 11.4465 6.73665 12.4215 9.35949 7.97994 numMergedOcc 0
53 mol 239 unq 3 iso 1 dist 6.64008 12.4215 9.35949 11.4465 6.73665 7.97994 numMergedOcc 0
54 mol 239 unq 3 iso 0 dist 6.64008 5.08687 9.34438 12.4215 9.35949 11.2636 numMergedOcc 0
55 mol 239 unq 3 iso 1 dist 6.64008 12.4215 9.35949 5.08687 9.34438 11.2636 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 7.02679 13.9754 9.9182 12.9146 7.30758 10.3106 numMergedOcc 0
57 mol 292 unq 0 iso 1 dist 7.02679 12.9146 7.30758 13.9754 9.9182 10.3106 numMergedOcc 0
58 mol 292 unq 1 iso 0 dist 7.02679 13.9754 9.9182 5.4258 9.10788 12.1693 numMergedOcc 0
59 mol 292 unq 1 iso 1 dist 7.02679 5.4258 9.10788 13.9754 9.9182 12.1693 numMergedOcc 0
60 mol 292 unq 1 iso 0 dist 7.02679 12.9146 7.30758 5.4258 9.10788 12.6861 numMergedOcc 0
61 mol 292 unq 1 iso 1 dist 7.02679 5.4258 9.10788 12.9146 7.30758 12.6861 numMergedOcc 0
62 mol 292 unq 2 iso 0 dist 9.08889 13.9754 8.9221 5.4258 8.85064 12.1693 numMergedOcc 0
63 mol 292 unq 2 iso 1 dist 9.08889 5.4258 8.85064 13.9754 8.9221 12.1693 numMergedOcc 0
