0 mol 12 unq 0 iso 0 dist 7.4036 7.00079 5.76024 6.50215 7.92714 5.25297 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 7.4036 6.50215 7.92714 7.00079 5.76024 5.25297 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 7.4036 7.00079 5.76024 12.5814 8.47217 6.82858 numMergedOcc 0
3 mol 12 unq 1 iso 1 dist 7.4036 12.5814 8.47217 7.00079 5.76024 6.82858 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 7.4036 6.50215 7.92714 12.5814 8.47217 11.9461 numMergedOcc 0
5 mol 12 unq 1 iso 1 dist 7.4036 12.5814 8.47217 6.50215 7.92714 11.9461 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 5.80996 4.42214 8.81982 6.58374 8.94227 4.45406 numMergedOcc 0
7 mol 53 unq 0 iso 1 dist 5.80996 6.58374 8.94227 4.42214 8.81982 4.45406 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 5.66861 6.80569 8.81982 8.93925 8.94227 4.45406 numMergedOcc 0
9 mol 53 unq 1 iso 1 dist 5.66861 8.93925 8.94227 6.80569 8.81982 4.45406 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.43804 13.8217 7.36769 12.9299 6.88901 10.2754 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 7.43804 12.9299 6.88901 13.8217 7.36769 10.2754 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.79499 7.40519 9.5057 5.43871 5.75014 5.59227 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 8.79499 5.43871 5.75014 7.40519 9.5057 5.59227 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 8.6317 6.24872 6.11502 10.4668 6.33431 4.38093 numMergedOcc 0
15 mol 125 unq 0 iso 1 dist 8.6317 10.4668 6.33431 6.24872 6.11502 4.38093 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.32254 10.4629 6.84835 13.7961 8.42748 9.63809 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 9.32254 13.7961 8.42748 10.4629 6.84835 9.63809 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.35397 7.98447 9.10042 8.12085 9.75059 4.72386 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 6.35397 8.12085 9.75059 7.98447 9.10042 4.72386 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.35397 7.98447 9.10042 10.1812 6.83404 13.0212 numMergedOcc 0
21 mol 141 unq 1 iso 1 dist 6.35397 10.1812 6.83404 7.98447 9.10042 13.0212 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 6.35397 8.12085 9.75059 10.1812 6.83404 11.0187 numMergedOcc 0
23 mol 141 unq 1 iso 1 dist 6.35397 10.1812 6.83404 8.12085 9.75059 11.0187 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 6.97467 14.0762 8.21184 12.9439 5.9976 6.12113 numMergedOcc 0
25 mol 156 unq 0 iso 1 dist 6.97467 12.9439 5.9976 14.0762 8.21184 6.12113 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 7.27051 13.0844 8.26288 5.76622 6.60053 9.52218 numMergedOcc 0
27 mol 192 unq 0 iso 1 dist 7.27051 5.76622 6.60053 13.0844 8.26288 9.52218 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 5.17332 5.05199 4.98734 5.9572 6.37963 4.56465 numMergedOcc 0
29 mol 256 unq 0 iso 1 dist 5.17332 5.9572 6.37963 5.05199 4.98734 4.56465 numMergedOcc 0
30 mol 256 unq 1 iso 0 dist 5.17332 5.05199 4.98734 10.1811 8.16803 8.02729 numMergedOcc 0
31 mol 256 unq 1 iso 1 dist 5.17332 10.1811 8.16803 5.05199 4.98734 8.02729 numMergedOcc 0
32 mol 256 unq 1 iso 0 dist 5.17332 5.9572 6.37963 10.1811 8.16803 12.3316 numMergedOcc 0
33 mol 256 unq 1 iso 1 dist 5.17332 10.1811 8.16803 5.9572 6.37963 12.3316 numMergedOcc 0
34 mol 256 unq 2 iso 0 dist 8.95444 9.21273 6.33496 7.94816 6.00636 4.56465 numMergedOcc 0
35 mol 256 unq 2 iso 1 dist 8.95444 7.94816 6.00636 9.21273 6.33496 4.56465 numMergedOcc 0
36 mol 256 unq 3 iso 0 dist 8.95444 9.21273 6.33496 9.60388 7.81448 9.60398 numMergedOcc 0
37 mol 256 unq 3 iso 1 dist 8.95444 9.60388 7.81448 9.21273 6.33496 9.60398 numMergedOcc 0
38 mol 256 unq 4 iso 0 dist 8.95444 9.21273 6.33496 10.878 8.54499 7.37964 numMergedOcc 0
39 mol 256 unq 4 iso 1 dist 8.95444 10.878 8.54499 9.21273 6.33496 7.37964 numMergedOcc 0
40 mol 256 unq 3 iso 0 dist 8.95444 7.94816 6.00636 9.60388 7.81448 11.7084 numMergedOcc 0
41 mol 256 unq 3 iso 1 dist 8.95444 9.60388 7.81448 7.94816 6.00636 11.7084 numMergedOcc 0
42 mol 256 unq 4 iso 0 dist 8.95444 7.94816 6.00636 10.878 8.54499 10.9861 numMergedOcc 0
43 mol 256 unq 4 iso 1 dist 8.95444 10.878 8.54499 7.94816 6.00636 10.9861 numMergedOcc 0
44 mol 256 unq 4 iso 0 dist 8.95444 9.60388 7.81448 10.878 8.54499 4.46458 numMergedOcc 0
45 mol 256 unq 4 iso 1 dist 8.95444 10.878 8.54499 9.60388 7.81448 4.46458 numMergedOcc 0
46 mol 256 unq 5 iso 0 dist 7.53508 11.5159 6.33496 12.9357 6.00636 4.56465 numMergedOcc 0
47 mol 256 unq 5 iso 1 dist 7.53508 12.9357 6.00636 11.5159 6.33496 4.56465 numMergedOcc 0
48 mol 256 unq 6 iso 0 dist 7.53508 11.5159 6.33496 4.03381 7.81448 9.60398 numMergedOcc 0
49 mol 256 unq 6 iso 1 dist 7.53508 4.03381 7.81448 11.5159 6.33496 9.60398 numMergedOcc 0
50 mol 256 unq 7 iso 0 dist 7.53508 11.5159 6.33496 7.45598 8.54499 7.37964 numMergedOcc 0
51 mol 256 unq 7 iso 1 dist 7.53508 7.45598 8.54499 11.5159 6.33496 7.37964 numMergedOcc 0
52 mol 256 unq 6 iso 0 dist 7.53508 12.9357 6.00636 4.03381 7.81448 11.7084 numMergedOcc 0
53 mol 256 unq 6 iso 1 dist 7.53508 4.03381 7.81448 12.9357 6.00636 11.7084 numMergedOcc 0
54 mol 256 unq 7 iso 0 dist 7.53508 12.9357 6.00636 7.45598 8.54499 10.9861 numMergedOcc 0
55 mol 256 unq 7 iso 1 dist 7.53508 7.45598 8.54499 12.9357 6.00636 10.9861 numMergedOcc 0
56 mol 256 unq 7 iso 0 dist 7.53508 4.03381 7.81448 7.45598 8.54499 4.46458 numMergedOcc 0
57 mol 256 unq 7 iso 1 dist 7.53508 7.45598 8.54499 4.03381 7.81448 4.46458 numMergedOcc 0
