CDC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.35Å | 1.40Å | |
N1 | C6 | sing | 1.36Å | 1.38Å | |
N1 | C1' | sing | 1.46Å | 1.49Å | |
C2 | N3 | sing | 1.33Å | 1.34Å | |
C2 | O2 | doub | 1.22Å | 1.26Å | |
N3 | C4 | doub | 1.33Å | 1.38Å | |
C4 | C5 | sing | 1.41Å | 1.42Å | |
C4 | N4 | sing | 1.38Å | 1.35Å | |
C5 | C6 | doub | 1.35Å | 1.40Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N4 | H41 | sing | 0.97Å | 1.00Å | |
N4 | H42 | sing | 0.97Å | 1.00Å | |
C1' | C2' | sing | 1.55Å | 1.50Å | |
C1' | O4' | sing | 1.44Å | 1.40Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO'2 | sing | 0.97Å | 0.95Å | |
C3' | C4' | sing | 1.54Å | 1.54Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C4' | C5' | sing | 1.53Å | 1.50Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O3' | H3T | sing | 0.97Å | 0.95Å | |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
O5' | PA | sing | 1.61Å | 1.67Å | |
PA | O1A | doub | 1.48Å | 1.54Å | |
PA | O2A | sing | 1.61Å | 1.56Å | |
PA | O3A | sing | 1.61Å | 1.62Å | |
O2A | HO2A | sing | 0.97Å | 0.95Å | |
O3A | PB | sing | 1.61Å | 1.64Å | |
PB | O1B | sing | 1.61Å | 1.66Å | |
PB | O2B | sing | 1.54Å | 1.55Å | |
PB | O3B | doub | 1.54Å | 1.55Å | |
O1B | C14 | sing | 1.43Å | 1.40Å | |
C14 | C15 | sing | 1.53Å | 1.56Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C15 | N11 | sing | 1.47Å | 1.52Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
N11 | C16 | sing | 1.47Å | 1.47Å | |
N11 | C17 | sing | 1.47Å | 1.47Å | |
N11 | C18 | sing | 1.47Å | 1.48Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
C16 | H163 | sing | 1.09Å | 1.10Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C17 | H172 | sing | 1.09Å | 1.10Å | |
C17 | H173 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C18 | H183 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 116.7° | 120.3° |
C2 | N1 | C1' | 120.5° | 119.8° |
N1 | C2 | N3 | 122.5° | 121.1° |
N1 | C2 | O2 | 123.0° | 119.5° |
C6 | N1 | C1' | 122.8° | 119.9° |
N1 | C6 | C5 | 123.3° | 119.3° |
N1 | C6 | H6 | 118.3° | 120.3° |
N1 | C1' | C2' | 115.8° | 110.8° |
N1 | C1' | O4' | 110.6° | 110.6° |
N1 | C1' | H1' | 102.4° | 110.5° |
N3 | C2 | O2 | 114.5° | 119.5° |
C2 | N3 | C4 | 120.6° | 120.7° |
N3 | C4 | C5 | 120.8° | 119.6° |
N3 | C4 | N4 | 117.0° | 120.1° |
C5 | C4 | N4 | 122.2° | 120.2° |
C4 | C5 | C6 | 116.2° | 119.0° |
C4 | C5 | H5 | 121.9° | 120.5° |
C4 | N4 | H41 | 125.5° | 119.9° |
C4 | N4 | H42 | 109.1° | 120.0° |
C6 | C5 | H5 | 121.9° | 120.5° |
C5 | C6 | H6 | 118.4° | 120.4° |
H41 | N4 | H42 | 125.5° | 120.1° |
C2' | C1' | O4' | 103.1° | 103.5° |
C2' | C1' | H1' | 110.0° | 110.6° |
C1' | C2' | O2' | 109.5° | 110.9° |
C1' | C2' | C3' | 102.0° | 102.1° |
C1' | C2' | H2' | 116.7° | 110.9° |
O4' | C1' | H1' | 115.3° | 110.6° |
C1' | O4' | C4' | 109.0° | 106.9° |
O2' | C2' | C3' | 115.8° | 110.9° |
O2' | C2' | H2' | 103.1° | 110.8° |
C2' | O2' | HO'2 | 109.5° | 106.8° |
C3' | C2' | H2' | 110.4° | 111.0° |
C2' | C3' | C4' | 104.8° | 104.1° |
C2' | C3' | O3' | 115.4° | 110.5° |
C2' | C3' | H3' | 107.5° | 110.5° |
C4' | C3' | O3' | 105.2° | 110.8° |
C4' | C3' | H3' | 117.3° | 110.5° |
C3' | C4' | O4' | 103.7° | 107.4° |
C3' | C4' | C5' | 101.7° | 109.9° |
C3' | C4' | H4' | 119.7° | 109.9° |
O3' | C3' | H3' | 107.1° | 110.4° |
C3' | O3' | H3T | 109.5° | 106.8° |
O4' | C4' | C5' | 115.0° | 109.9° |
O4' | C4' | H4' | 107.6° | 109.9° |
C5' | C4' | H4' | 109.4° | 109.9° |
C4' | C5' | O5' | 112.7° | 109.5° |
C4' | C5' | H5'1 | 107.6° | 109.5° |
C4' | C5' | H5'2 | 108.4° | 109.4° |
O5' | C5' | H5'1 | 107.7° | 109.5° |
O5' | C5' | H5'2 | 108.4° | 109.5° |
C5' | O5' | PA | 119.0° | 106.8° |
H5'1 | C5' | H5'2 | 112.0° | 109.5° |
O5' | PA | O1A | 109.3° | 109.5° |
O5' | PA | O2A | 102.8° | 109.5° |
O5' | PA | O3A | 111.9° | 109.5° |
O1A | PA | O2A | 112.9° | 109.5° |
O1A | PA | O3A | 107.9° | 109.5° |
O2A | PA | O3A | 112.0° | 109.5° |
PA | O2A | HO2A | 109.5° | 106.9° |
PA | O3A | PB | 120.0° | 106.8° |
O3A | PB | O1B | 112.1° | 109.5° |
O3A | PB | O2B | 111.2° | 109.4° |
O3A | PB | O3B | 102.9° | 109.5° |
O1B | PB | O2B | 114.1° | 109.5° |
O1B | PB | O3B | 103.7° | 109.5° |
PB | O1B | C14 | 110.5° | 106.8° |
O2B | PB | O3B | 112.0° | 109.5° |
O1B | C14 | C15 | 110.5° | 109.5° |
O1B | C14 | H141 | 108.9° | 109.5° |
O1B | C14 | H142 | 109.2° | 109.4° |
C15 | C14 | H141 | 108.9° | 109.5° |
C15 | C14 | H142 | 109.1° | 109.4° |
C14 | C15 | N11 | 113.8° | 109.5° |
C14 | C15 | H151 | 107.1° | 109.5° |
C14 | C15 | H152 | 108.1° | 109.5° |
H141 | C14 | H142 | 110.3° | 109.5° |
N11 | C15 | H151 | 107.1° | 109.5° |
N11 | C15 | H152 | 108.1° | 109.4° |
C15 | N11 | C16 | 111.2° | 109.4° |
C15 | N11 | C17 | 107.0° | 109.4° |
C15 | N11 | C18 | 112.7° | 109.5° |
H151 | C15 | H152 | 112.9° | 109.4° |
C16 | N11 | C17 | 111.0° | 109.5° |
C16 | N11 | C18 | 106.4° | 109.5° |
N11 | C16 | H161 | 109.5° | 109.5° |
N11 | C16 | H162 | 109.5° | 109.5° |
N11 | C16 | H163 | 109.5° | 109.4° |
C17 | N11 | C18 | 108.5° | 109.5° |
N11 | C17 | H171 | 109.5° | 109.4° |
N11 | C17 | H172 | 109.5° | 109.5° |
N11 | C17 | H173 | 109.5° | 109.5° |
N11 | C18 | H181 | 109.5° | 109.5° |
N11 | C18 | H182 | 109.5° | 109.5° |
N11 | C18 | H183 | 109.5° | 109.5° |
H161 | C16 | H162 | 109.5° | 109.4° |
H161 | C16 | H163 | 109.5° | 109.5° |
H162 | C16 | H163 | 109.5° | 109.4° |
H171 | C17 | H172 | 109.5° | 109.5° |
H171 | C17 | H173 | 109.4° | 109.5° |
H172 | C17 | H173 | 109.5° | 109.5° |
H181 | C18 | H182 | 109.5° | 109.5° |
H181 | C18 | H183 | 109.5° | 109.4° |
H182 | C18 | H183 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | C1' | 178.4° | 179.8° |
N1 | C2 | N3 | O2 | 179.9° | 179.3° |
N1 | C2 | N3 | C4 | 0.4° | 0.6° |
C2 | N1 | C6 | C5 | 0.0° | 0.2° |
C2 | N1 | C6 | H6 | 180.0° | 179.7° |
C2 | N1 | C1' | C2' | 114.1° | 60.9° |
C2 | N1 | C1' | O4' | 129.1° | 53.3° |
C2 | N1 | C1' | H1' | 5.7° | 176.1° |
C6 | N1 | C2 | N3 | 0.0° | 0.6° |
C6 | N1 | C2 | O2 | 179.8° | 179.9° |
N1 | C6 | C5 | C4 | 0.2° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
N1 | C6 | C5 | H5 | 179.8° | 180.0° |
C6 | N1 | C1' | C2' | 67.5° | 119.3° |
C6 | N1 | C1' | O4' | 49.3° | 126.5° |
C6 | N1 | C1' | H1' | 172.7° | 3.6° |
C1' | N1 | C2 | N3 | 178.5° | 179.7° |
C1' | N1 | C2 | O2 | 1.3° | 0.3° |
C1' | N1 | C6 | C5 | 178.4° | 180.0° |
C1' | N1 | C6 | H6 | 1.6° | 0.1° |
N1 | C1' | C2' | O4' | 120.9° | 118.6° |
N1 | C1' | C2' | H1' | 115.5° | 122.9° |
N1 | C1' | O4' | H1' | 115.6° | 122.8° |
N1 | C1' | C2' | O2' | 76.6° | 86.2° |
N1 | C1' | C2' | C3' | 160.2° | 155.7° |
N1 | C1' | C2' | H2' | 39.8° | 37.4° |
N1 | C1' | O4' | C4' | 166.4° | 158.7° |
C2 | N3 | C4 | C5 | 0.6° | 0.3° |
C2 | N3 | C4 | N4 | 179.2° | 179.7° |
O2 | C2 | N3 | C4 | 179.5° | 179.9° |
N3 | C4 | C5 | N4 | 179.8° | 180.0° |
N3 | C4 | C5 | C6 | 0.5° | 0.0° |
N3 | C4 | C5 | H5 | 179.5° | 180.0° |
N3 | C4 | N4 | H41 | 179.9° | 179.9° |
N3 | C4 | N4 | H42 | 0.1° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 179.8° | 179.9° |
C5 | C4 | N4 | H41 | 0.1° | 0.0° |
C5 | C4 | N4 | H42 | 179.9° | 180.0° |
N4 | C4 | C5 | C6 | 179.3° | 179.9° |
N4 | C4 | C5 | H5 | 0.7° | 0.0° |
C4 | N4 | H41 | H42 | 180.0° | 180.0° |
H5 | C5 | C6 | H6 | 0.2° | 0.1° |
C2' | C1' | O4' | H1' | 120.0° | 118.5° |
C1' | C2' | O2' | C3' | 114.5° | 112.7° |
C1' | C2' | O2' | H2' | 124.8° | 123.6° |
C1' | C2' | C3' | H2' | 124.7° | 118.2° |
C1' | C2' | O2' | HO'2 | 18.7° | 180.0° |
C1' | C2' | C3' | C4' | 23.5° | 21.0° |
C1' | C2' | C3' | O3' | 91.7° | 98.0° |
C1' | C2' | C3' | H3' | 148.9° | 139.6° |
C2' | C1' | O4' | C4' | 41.9° | 40.0° |
O4' | C1' | C2' | O2' | 162.4° | 155.3° |
O4' | C1' | C2' | C3' | 39.3° | 37.1° |
O4' | C1' | C2' | H2' | 81.1° | 81.2° |
C1' | O4' | C4' | C3' | 25.9° | 26.4° |
C1' | O4' | C4' | C5' | 136.1° | 145.9° |
C1' | O4' | C4' | H4' | 101.9° | 93.1° |
H1' | C1' | C2' | O2' | 38.9° | 36.8° |
H1' | C1' | C2' | C3' | 84.2° | 81.4° |
H1' | C1' | C2' | H2' | 155.4° | 160.3° |
H1' | C1' | O4' | C4' | 78.0° | 78.5° |
O2' | C2' | C3' | H2' | 116.6° | 123.6° |
O2' | C2' | C3' | C4' | 142.2° | 139.2° |
O2' | C2' | C3' | O3' | 27.0° | 20.2° |
O2' | C2' | C3' | H3' | 92.3° | 102.3° |
C3' | C2' | O2' | HO'2 | 133.2° | 67.3° |
C2' | C3' | C4' | O3' | 122.1° | 118.7° |
C2' | C3' | C4' | H3' | 119.1° | 118.6° |
C2' | C3' | O3' | H3' | 119.6° | 122.5° |
C2' | C3' | C4' | O4' | 0.1° | 1.9° |
C2' | C3' | C4' | C5' | 119.5° | 121.4° |
C2' | C3' | C4' | H4' | 120.0° | 117.6° |
C2' | C3' | O3' | H3T | 43.3° | 61.3° |
H2' | C2' | O2' | HO'2 | 106.1° | 56.4° |
H2' | C2' | C3' | C4' | 101.2° | 97.2° |
H2' | C2' | C3' | O3' | 143.6° | 143.8° |
H2' | C2' | C3' | H3' | 24.3° | 21.4° |
C4' | C3' | O3' | H3' | 125.4° | 122.7° |
C3' | C4' | O4' | C5' | 110.1° | 119.5° |
C3' | C4' | O4' | H4' | 127.8° | 119.5° |
C3' | C4' | C5' | H4' | 127.6° | 121.0° |
C4' | C3' | O3' | H3T | 71.7° | 176.1° |
C3' | C4' | C5' | O5' | 107.2° | 175.3° |
C3' | C4' | C5' | H5'1 | 11.5° | 64.7° |
C3' | C4' | C5' | H5'2 | 132.8° | 55.3° |
O3' | C3' | C4' | O4' | 121.9° | 120.7° |
O3' | C3' | C4' | C5' | 118.5° | 119.8° |
O3' | C3' | C4' | H4' | 2.1° | 1.2° |
H3' | C3' | C4' | O4' | 119.2° | 116.7° |
H3' | C3' | C4' | C5' | 0.4° | 2.8° |
H3' | C3' | C4' | H4' | 120.9° | 123.8° |
H3' | C3' | O3' | H3T | 162.9° | 61.2° |
O4' | C4' | C5' | H4' | 121.1° | 121.0° |
O4' | C4' | C5' | O5' | 4.2° | 66.7° |
O4' | C4' | C5' | H5'1 | 122.8° | 53.3° |
O4' | C4' | C5' | H5'2 | 115.9° | 173.3° |
C4' | C5' | O5' | H5'1 | 118.6° | 120.0° |
C4' | C5' | O5' | H5'2 | 120.0° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 119.1° | 119.9° |
C4' | C5' | O5' | PA | 116.7° | 180.0° |
H4' | C4' | C5' | O5' | 125.3° | 54.3° |
H4' | C4' | C5' | H5'1 | 116.1° | 174.3° |
H4' | C4' | C5' | H5'2 | 5.3° | 65.7° |
O5' | C5' | H5'1 | H5'2 | 119.1° | 120.0° |
C5' | O5' | PA | O1A | 102.9° | 55.0° |
C5' | O5' | PA | O2A | 17.3° | 65.0° |
C5' | O5' | PA | O3A | 137.6° | 175.0° |
H5'1 | C5' | O5' | PA | 1.9° | 60.0° |
H5'2 | C5' | O5' | PA | 123.3° | 60.0° |
O5' | PA | O1A | O2A | 113.8° | 120.0° |
O5' | PA | O1A | O3A | 121.9° | 120.0° |
O5' | PA | O2A | O3A | 120.3° | 120.0° |
O5' | PA | O2A | HO2A | 64.3° | 60.0° |
O5' | PA | O3A | PB | 57.5° | 160.0° |
O1A | PA | O2A | O3A | 122.0° | 120.0° |
O1A | PA | O2A | HO2A | 53.4° | 180.0° |
O1A | PA | O3A | PB | 177.8° | 40.0° |
O2A | PA | O3A | PB | 57.3° | 80.0° |
O3A | PA | O2A | HO2A | 175.4° | 60.0° |
PA | O3A | PB | O1B | 71.6° | 160.0° |
PA | O3A | PB | O2B | 57.6° | 40.0° |
PA | O3A | PB | O3B | 177.6° | 80.0° |
O3A | PB | O1B | O2B | 127.6° | 120.0° |
O3A | PB | O1B | O3B | 110.3° | 120.0° |
O3A | PB | O2B | O3B | 114.5° | 120.0° |
O3A | PB | O1B | C14 | 171.3° | 175.0° |
O1B | PB | O2B | O3B | 117.5° | 120.0° |
PB | O1B | C14 | C15 | 177.0° | 180.0° |
PB | O1B | C14 | H141 | 57.4° | 60.0° |
PB | O1B | C14 | H142 | 63.0° | 60.0° |
O2B | PB | O1B | C14 | 61.1° | 55.0° |
O3B | PB | O1B | C14 | 61.0° | 65.0° |
O1B | C14 | C15 | H141 | 119.6° | 120.0° |
O1B | C14 | C15 | H142 | 120.0° | 120.0° |
O1B | C14 | H141 | H142 | 119.8° | 120.0° |
O1B | C14 | C15 | N11 | 122.6° | 67.6° |
O1B | C14 | C15 | H151 | 119.3° | 52.4° |
O1B | C14 | C15 | H152 | 2.5° | 172.4° |
C15 | C14 | H141 | H142 | 119.7° | 120.0° |
C14 | C15 | N11 | H151 | 118.1° | 120.0° |
C14 | C15 | N11 | H152 | 120.0° | 120.0° |
C14 | C15 | H151 | H152 | 118.8° | 120.0° |
C14 | C15 | N11 | C16 | 139.8° | 55.2° |
C14 | C15 | N11 | C17 | 98.7° | 64.7° |
C14 | C15 | N11 | C18 | 20.4° | 175.3° |
H141 | C14 | C15 | N11 | 3.0° | 172.4° |
H141 | C14 | C15 | H151 | 121.1° | 67.6° |
H141 | C14 | C15 | H152 | 117.1° | 52.4° |
H142 | C14 | C15 | N11 | 117.4° | 52.3° |
H142 | C14 | C15 | H151 | 0.7° | 172.3° |
H142 | C14 | C15 | H152 | 122.5° | 67.7° |
N11 | C15 | H151 | H152 | 118.8° | 119.9° |
C15 | N11 | C16 | C17 | 119.1° | 119.9° |
C15 | N11 | C16 | C18 | 123.1° | 120.0° |
C15 | N11 | C17 | C18 | 121.8° | 120.0° |
C15 | N11 | C16 | H161 | 61.4° | 60.0° |
C15 | N11 | C16 | H162 | 58.6° | 60.1° |
C15 | N11 | C16 | H163 | 178.6° | 180.0° |
C15 | N11 | C17 | H171 | 159.5° | 170.0° |
C15 | N11 | C17 | H172 | 39.6° | 50.0° |
C15 | N11 | C17 | H173 | 80.5° | 70.0° |
C15 | N11 | C18 | H181 | 127.4° | 60.0° |
C15 | N11 | C18 | H182 | 7.4° | 60.0° |
C15 | N11 | C18 | H183 | 112.5° | 180.0° |
H151 | C15 | N11 | C16 | 102.1° | 175.2° |
H151 | C15 | N11 | C17 | 19.4° | 55.3° |
H151 | C15 | N11 | C18 | 138.5° | 64.7° |
H152 | C15 | N11 | C16 | 19.8° | 64.8° |
H152 | C15 | N11 | C17 | 141.2° | 175.2° |
H152 | C15 | N11 | C18 | 99.6° | 55.2° |
C16 | N11 | C17 | C18 | 116.6° | 120.1° |
N11 | C16 | H161 | H162 | 120.0° | 120.0° |
N11 | C16 | H161 | H163 | 120.0° | 120.0° |
N11 | C16 | H162 | H163 | 120.0° | 120.0° |
C16 | N11 | C17 | H171 | 78.9° | 70.0° |
C16 | N11 | C17 | H172 | 161.1° | 170.0° |
C16 | N11 | C17 | H173 | 41.1° | 49.9° |
C16 | N11 | C18 | H181 | 5.3° | 60.0° |
C16 | N11 | C18 | H182 | 114.7° | 180.0° |
C16 | N11 | C18 | H183 | 125.3° | 60.0° |
C17 | N11 | C16 | H161 | 57.7° | 60.0° |
C17 | N11 | C16 | H162 | 177.7° | 180.0° |
C17 | N11 | C16 | H163 | 62.3° | 60.1° |
N11 | C17 | H171 | H172 | 120.0° | 120.0° |
N11 | C17 | H171 | H173 | 120.0° | 119.9° |
N11 | C17 | H172 | H173 | 120.1° | 120.0° |
C17 | N11 | C18 | H181 | 114.3° | 180.0° |
C17 | N11 | C18 | H182 | 125.8° | 59.9° |
C17 | N11 | C18 | H183 | 5.8° | 60.0° |
C18 | N11 | C16 | H161 | 175.5° | 180.0° |
C18 | N11 | C16 | H162 | 64.4° | 60.0° |
C18 | N11 | C16 | H163 | 55.6° | 60.0° |
C18 | N11 | C17 | H171 | 37.7° | 50.0° |
C18 | N11 | C17 | H172 | 82.3° | 70.0° |
C18 | N11 | C17 | H173 | 157.7° | 170.0° |
N11 | C18 | H181 | H182 | 120.0° | 120.0° |
N11 | C18 | H181 | H183 | 120.1° | 120.0° |
N11 | C18 | H182 | H183 | 120.0° | 120.0° |
H161 | C16 | H162 | H163 | 120.0° | 120.0° |
H171 | C17 | H172 | H173 | 120.0° | 120.0° |
H181 | C18 | H182 | H183 | 120.0° | 120.0° |