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Copy path22S.lib
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22S.lib
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!!index array str
"22S"
!entry.22S.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"C1" "c6" 0 1 131072 1 6 0.341700
"N1" "ns" 0 1 131072 2 7 -0.442900
"S1" "s" 0 1 131072 3 16 -0.580400
"CL1" "cl" 0 1 131072 4 6 -0.218000
"C2" "c6" 0 1 131072 5 6 0.138300
"N2" "ns" 0 1 131072 6 7 -0.233900
"O2" "oh" 0 1 131072 7 8 -0.714000
"C3" "c6" 0 1 131072 8 6 0.134300
"N3" "n2" 0 1 131072 9 7 -0.385300
"O6" "oh" 0 1 131072 10 8 -0.725000
"C4" "c6" 0 1 131072 11 6 0.110300
"O4" "oh" 0 1 131072 12 8 -0.730000
"C5" "c6" 0 1 131072 13 6 0.156300
"O5" "os" 0 1 131072 14 8 -0.459000
"C6" "c3" 0 1 131072 15 6 0.162600
"O3" "oh" 0 1 131072 16 8 -0.672000
"C7" "cs" 0 1 131072 17 6 0.502400
"C8" "ce" 0 1 131072 18 6 0.380800
"C9" "ca" 0 1 131072 19 6 -0.121900
"C10" "ca" 0 1 131072 20 6 0.140000
"C11" "ca" 0 1 131072 21 6 -0.111000
"C12" "ca" 0 1 131072 22 6 -0.088000
"C13" "ca" 0 1 131072 23 6 -0.113000
"C14" "ca" 0 1 131072 24 6 -0.063000
"H1" "h2" 0 1 131072 25 1 0.102700
"HN1" "hn" 0 1 131072 26 1 0.311500
"H2" "h1" 0 1 131072 27 1 0.055700
"HN2" "hn" 0 1 131072 28 1 0.296500
"HO2" "ho" 0 1 131072 29 1 0.527000
"H3" "h1" 0 1 131072 30 1 0.060700
"HO6" "ho" 0 1 131072 31 1 0.506000
"H4" "h1" 0 1 131072 32 1 0.075700
"HO4" "ho" 0 1 131072 33 1 0.516000
"H5" "h1" 0 1 131072 34 1 0.062700
"H61" "h1" 0 1 131072 35 1 0.042200
"H62" "h1" 0 1 131072 36 1 0.042200
"HO3" "ho" 0 1 131072 37 1 0.467000
"H8" "h4" 0 1 131072 38 1 -0.000200
"H11" "ha" 0 1 131072 39 1 0.131000
"H12" "ha" 0 1 131072 40 1 0.121000
"H13" "ha" 0 1 131072 41 1 0.125000
"H14" "ha" 0 1 131072 42 1 0.149000
!entry.22S.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"C1" "c6" 0 -1 0.0
"N1" "ns" 0 -1 0.0
"S1" "s" 0 -1 0.0
"CL1" "cl" 0 -1 0.0
"C2" "c6" 0 -1 0.0
"N2" "ns" 0 -1 0.0
"O2" "oh" 0 -1 0.0
"C3" "c6" 0 -1 0.0
"N3" "n2" 0 -1 0.0
"O6" "oh" 0 -1 0.0
"C4" "c6" 0 -1 0.0
"O4" "oh" 0 -1 0.0
"C5" "c6" 0 -1 0.0
"O5" "os" 0 -1 0.0
"C6" "c3" 0 -1 0.0
"O3" "oh" 0 -1 0.0
"C7" "cs" 0 -1 0.0
"C8" "ce" 0 -1 0.0
"C9" "ca" 0 -1 0.0
"C10" "ca" 0 -1 0.0
"C11" "ca" 0 -1 0.0
"C12" "ca" 0 -1 0.0
"C13" "ca" 0 -1 0.0
"C14" "ca" 0 -1 0.0
"H1" "h2" 0 -1 0.0
"HN1" "hn" 0 -1 0.0
"H2" "h1" 0 -1 0.0
"HN2" "hn" 0 -1 0.0
"HO2" "ho" 0 -1 0.0
"H3" "h1" 0 -1 0.0
"HO6" "ho" 0 -1 0.0
"H4" "h1" 0 -1 0.0
"HO4" "ho" 0 -1 0.0
"H5" "h1" 0 -1 0.0
"H61" "h1" 0 -1 0.0
"H62" "h1" 0 -1 0.0
"HO3" "ho" 0 -1 0.0
"H8" "h4" 0 -1 0.0
"H11" "ha" 0 -1 0.0
"H12" "ha" 0 -1 0.0
"H13" "ha" 0 -1 0.0
"H14" "ha" 0 -1 0.0
!entry.22S.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.22S.unit.childsequence single int
2
!entry.22S.unit.connect array int
0
0
!entry.22S.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 5 1
1 14 1
1 25 1
2 17 1
2 26 1
3 17 2
4 20 1
5 7 1
5 8 1
5 27 1
6 9 1
6 17 1
6 28 1
7 29 1
8 11 1
8 16 1
8 30 1
9 18 2
10 15 1
10 31 1
11 12 1
11 13 1
11 32 1
12 33 1
13 14 1
13 15 1
13 34 1
15 35 1
15 36 1
16 37 1
18 19 1
18 38 1
19 20 4
19 24 4
20 21 4
21 22 4
21 39 1
22 23 4
22 40 1
23 24 4
23 41 1
24 42 1
!entry.22S.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
"R" 1 "A" 13
"R" 1 "A" 14
"R" 1 "A" 15
"R" 1 "A" 16
"R" 1 "A" 17
"R" 1 "A" 18
"R" 1 "A" 19
"R" 1 "A" 20
"R" 1 "A" 21
"R" 1 "A" 22
"R" 1 "A" 23
"R" 1 "A" 24
"R" 1 "A" 25
"R" 1 "A" 26
"R" 1 "A" 27
"R" 1 "A" 28
"R" 1 "A" 29
"R" 1 "A" 30
"R" 1 "A" 31
"R" 1 "A" 32
"R" 1 "A" 33
"R" 1 "A" 34
"R" 1 "A" 35
"R" 1 "A" 36
"R" 1 "A" 37
"R" 1 "A" 38
"R" 1 "A" 39
"R" 1 "A" 40
"R" 1 "A" 41
"R" 1 "A" 42
!entry.22S.unit.name single str
"22S"
!entry.22S.unit.positions table dbl x dbl y dbl z
33.513000 22.979000 27.844000
34.528000 23.542000 28.675000
32.834000 23.937000 30.715000
39.437000 26.209000 33.110000
33.835000 23.199000 26.369000
35.464000 24.448000 30.523000
33.866000 24.598000 26.121000
32.781000 22.512000 25.514000
35.496000 24.900000 31.794000
33.361000 18.773000 27.545000
32.608000 21.052000 25.904000
31.507000 20.548000 25.150000
32.354000 20.953000 27.412000
33.435000 21.581000 28.107000
32.215000 19.537000 27.922000
33.190000 22.657000 24.157000
34.327000 23.973000 29.944000
36.619000 25.338000 32.224000
36.753000 25.848000 33.585000
37.986000 26.277000 34.094000
38.115000 26.768000 35.387000
36.997000 26.838000 36.207000
35.757000 26.416000 35.730000
35.642000 25.931000 34.440000
32.559000 23.451000 28.096000
35.471000 23.528000 28.311000
34.813000 22.749000 26.154000
36.323000 24.475000 29.977000
33.930000 24.721000 25.164000
31.823000 23.026000 25.669000
33.231000 17.868000 27.852000
33.521000 20.505000 25.657000
31.615000 19.596000 25.038000
31.417000 21.478000 27.645000
31.302000 19.105000 27.499000
32.107000 19.568000 29.010000
32.498000 22.277000 23.599000
37.505000 25.343000 31.590000
39.083000 27.090000 35.743000
37.098000 27.220000 37.214000
34.883000 26.470000 36.365000
34.682000 25.606000 34.063000
!entry.22S.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
0 0 0 0 0 0
!entry.22S.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"22S" 1 43 1 "?" 0
!entry.22S.unit.residuesPdbSequenceNumber array int
0
!entry.22S.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.22S.unit.velocities table dbl x dbl y dbl z
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0