0 mol 29 unq 0 iso 0 dist 9.42943 9.56672 8.02446 8.00338 11.4567 8.71044 numMergedOcc 0
1 mol 29 unq 0 iso 1 dist 9.42943 8.00338 11.4567 9.56672 8.02446 8.71044 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.39338 8.26805 10.8074 9.68577 7.50487 6.98219 numMergedOcc 0
3 mol 76 unq 0 iso 1 dist 9.39338 9.68577 7.50487 8.26805 10.8074 6.98219 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.9053 8.26805 10.1475 9.68577 4.4828 6.98219 numMergedOcc 0
5 mol 76 unq 1 iso 1 dist 8.9053 9.68577 4.4828 8.26805 10.1475 6.98219 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.51379 5.5917 8.17376 5.24806 6.47582 3.11116 numMergedOcc 0
7 mol 129 unq 0 iso 1 dist 9.51379 5.24806 6.47582 5.5917 8.17376 3.11116 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 9.74021 5.23992 8.5262 7.91974 10.6125 3.00778 numMergedOcc 0
9 mol 176 unq 0 iso 1 dist 9.74021 7.91974 10.6125 5.23992 8.5262 3.00778 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.74021 5.23992 8.5262 9.1617 9.81633 5.3861 numMergedOcc 0
11 mol 176 unq 1 iso 1 dist 9.74021 9.1617 9.81633 5.23992 8.5262 5.3861 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 9.74021 7.91974 10.6125 9.1617 9.81633 5.04828 numMergedOcc 0
13 mol 176 unq 1 iso 1 dist 9.74021 9.1617 9.81633 7.91974 10.6125 5.04828 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.17005 7.82717 4.25519 8.19926 6.35206 6.13455 numMergedOcc 0
15 mol 186 unq 0 iso 1 dist 5.17005 8.19926 6.35206 7.82717 4.25519 6.13455 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 5.17005 7.82717 4.25519 9.02402 10.6883 14.8103 numMergedOcc 0
17 mol 186 unq 1 iso 1 dist 5.17005 9.02402 10.6883 7.82717 4.25519 14.8103 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 5.17005 8.19926 6.35206 9.02402 10.6883 15.0775 numMergedOcc 0
19 mol 186 unq 1 iso 1 dist 5.17005 9.02402 10.6883 8.19926 6.35206 15.0775 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.94629 8.86773 14.159 8.95095 9.93118 8.91869 numMergedOcc 0
21 mol 258 unq 0 iso 1 dist 8.94629 8.95095 9.93118 8.86773 14.159 8.91869 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 7.246 7.22473 11.4881 6.02628 9.7119 5.97214 numMergedOcc 0
23 mol 260 unq 0 iso 1 dist 7.246 6.02628 9.7119 7.22473 11.4881 5.97214 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.41348 7.91541 4.72942 8.3784 4.05301 3.39856 numMergedOcc 0
25 mol 287 unq 0 iso 1 dist 7.41348 8.3784 4.05301 7.91541 4.72942 3.39856 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.41348 7.91541 4.72942 8.3784 4.05301 3.39856 numMergedOcc 0
27 mol 288 unq 0 iso 1 dist 7.41348 8.3784 4.05301 7.91541 4.72942 3.39856 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 7.41348 7.91541 4.72942 8.3784 4.05301 3.39856 numMergedOcc 0
29 mol 289 unq 0 iso 1 dist 7.41348 8.3784 4.05301 7.91541 4.72942 3.39856 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 7.64578 7.33086 12.6108 7.88971 14.8518 7.15524 numMergedOcc 0
31 mol 294 unq 0 iso 1 dist 7.64578 7.88971 14.8518 7.33086 12.6108 7.15524 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 7.64578 7.33086 12.6108 6.82335 10.2032 4.76434 numMergedOcc 0
33 mol 294 unq 1 iso 1 dist 7.64578 6.82335 10.2032 7.33086 12.6108 4.76434 numMergedOcc 0
34 mol 294 unq 1 iso 0 dist 7.64578 7.88971 14.8518 6.82335 10.2032 10.769 numMergedOcc 0
35 mol 294 unq 1 iso 1 dist 7.64578 6.82335 10.2032 7.88971 14.8518 10.769 numMergedOcc 0
36 mol 294 unq 2 iso 0 dist 5.85292 9.32126 12.6108 9.38111 14.8518 7.15524 numMergedOcc 0
37 mol 294 unq 2 iso 1 dist 5.85292 9.38111 14.8518 9.32126 12.6108 7.15524 numMergedOcc 0
38 mol 294 unq 3 iso 0 dist 5.85292 9.32126 12.6108 9.14005 10.2032 4.76434 numMergedOcc 0
39 mol 294 unq 3 iso 1 dist 5.85292 9.14005 10.2032 9.32126 12.6108 4.76434 numMergedOcc 0
40 mol 294 unq 3 iso 0 dist 5.85292 9.38111 14.8518 9.14005 10.2032 10.769 numMergedOcc 0
41 mol 294 unq 3 iso 1 dist 5.85292 9.14005 10.2032 9.38111 14.8518 10.769 numMergedOcc 0
42 mol 294 unq 4 iso 0 dist 6.28096 7.33086 6.89306 7.88971 9.62266 7.15524 numMergedOcc 0
43 mol 294 unq 4 iso 1 dist 6.28096 7.88971 9.62266 7.33086 6.89306 7.15524 numMergedOcc 0
44 mol 294 unq 5 iso 0 dist 6.28096 7.33086 6.89306 6.82335 5.33113 4.76434 numMergedOcc 0
45 mol 294 unq 5 iso 1 dist 6.28096 6.82335 5.33113 7.33086 6.89306 4.76434 numMergedOcc 0
46 mol 294 unq 5 iso 0 dist 6.28096 7.88971 9.62266 6.82335 5.33113 10.769 numMergedOcc 0
47 mol 294 unq 5 iso 1 dist 6.28096 6.82335 5.33113 7.88971 9.62266 10.769 numMergedOcc 0
