MAO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | OA | sing | 1.46Å | 1.42Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
OA | CB | sing | 1.43Å | 1.52Å | |
CB | CG | sing | 1.53Å | 1.66Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | ND | sing | 1.47Å | 1.69Å | |
CG | HG1 | sing | 1.09Å | 1.12Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
ND | CE | sing | 1.47Å | 1.49Å | |
ND | C5' | sing | 1.47Å | 1.69Å | |
CE | HE1 | sing | 1.09Å | 1.12Å | |
CE | HE2 | sing | 1.09Å | 1.11Å | |
CE | HE3 | sing | 1.09Å | 1.11Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.34Å | |
C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å | |
C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OA | N | HN1 | 110.6° | 106.7° |
OA | N | HN2 | 111.8° | 106.6° |
N | OA | CB | 110.6° | 106.8° |
HN1 | N | HN2 | 111.8° | 106.7° |
OA | CB | CG | 114.0° | 109.6° |
OA | CB | HB1 | 110.6° | 109.4° |
OA | CB | HB2 | 110.6° | 109.5° |
CG | CB | HB1 | 110.5° | 109.4° |
CG | CB | HB2 | 110.6° | 109.5° |
CB | CG | ND | 110.9° | 109.4° |
CB | CG | HG1 | 111.7° | 109.4° |
CB | CG | HG2 | 111.7° | 109.5° |
HB1 | CB | HB2 | 99.7° | 109.5° |
ND | CG | HG1 | 111.7° | 109.5° |
ND | CG | HG2 | 111.6° | 109.5° |
CG | ND | CE | 107.2° | 106.6° |
CG | ND | C5' | 111.4° | 106.7° |
HG1 | CG | HG2 | 98.7° | 109.5° |
CE | ND | C5' | 107.9° | 106.7° |
ND | CE | HE1 | 107.2° | 109.5° |
ND | CE | HE2 | 113.0° | 109.4° |
ND | CE | HE3 | 113.1° | 109.5° |
ND | C5' | C4' | 111.3° | 109.5° |
ND | C5' | H5'1 | 111.6° | 109.4° |
ND | C5' | H5'2 | 111.6° | 109.5° |
HE1 | CE | HE2 | 113.0° | 109.4° |
HE1 | CE | HE3 | 113.0° | 109.5° |
HE2 | CE | HE3 | 97.4° | 109.5° |
C4' | C5' | H5'1 | 111.5° | 109.5° |
C4' | C5' | H5'2 | 111.5° | 109.5° |
C5' | C4' | O4' | 109.7° | 109.9° |
C5' | C4' | C3' | 116.2° | 109.9° |
C5' | C4' | H4' | 103.4° | 109.8° |
H5'1 | C5' | H5'2 | 98.8° | 109.5° |
O4' | C4' | C3' | 105.1° | 107.4° |
O4' | C4' | H4' | 114.8° | 109.9° |
C4' | O4' | C1' | 109.9° | 107.0° |
C3' | C4' | H4' | 108.1° | 109.8° |
C4' | C3' | C2' | 102.4° | 104.0° |
C4' | C3' | O3' | 110.8° | 110.8° |
C4' | C3' | H3' | 113.0° | 110.5° |
O4' | C1' | N9 | 107.9° | 110.6° |
O4' | C1' | C2' | 106.0° | 103.5° |
O4' | C1' | H1' | 113.5° | 110.6° |
N9 | C1' | C2' | 111.7° | 110.8° |
N9 | C1' | H1' | 107.9° | 110.5° |
C1' | N9 | C4 | 125.2° | 126.3° |
C1' | N9 | C8 | 128.8° | 126.3° |
C2' | C1' | H1' | 109.8° | 110.6° |
C1' | C2' | O2' | 111.0° | 110.9° |
C1' | C2' | C3' | 100.9° | 102.1° |
C1' | C2' | H2' | 115.3° | 110.9° |
C4 | N9 | C8 | 105.9° | 107.4° |
N9 | C4 | N3 | 127.2° | 134.9° |
N9 | C4 | C5 | 105.8° | 106.1° |
N9 | C8 | N7 | 113.7° | 110.0° |
N9 | C8 | H8 | 125.2° | 125.0° |
N3 | C4 | C5 | 127.0° | 119.0° |
C4 | N3 | C2 | 110.6° | 120.6° |
C4 | C5 | C6 | 116.9° | 118.3° |
C4 | C5 | N7 | 110.7° | 107.1° |
N3 | C2 | N1 | 129.2° | 122.5° |
N3 | C2 | H2 | 115.1° | 118.7° |
N1 | C2 | H2 | 115.8° | 118.8° |
C2 | N1 | C6 | 118.6° | 121.2° |
N1 | C6 | N6 | 118.7° | 120.8° |
N1 | C6 | C5 | 117.7° | 118.4° |
N6 | C6 | C5 | 123.6° | 120.8° |
C6 | N6 | HN61 | 118.6° | 120.0° |
C6 | N6 | HN62 | 108.9° | 120.0° |
C6 | C5 | N7 | 132.4° | 134.6° |
HN61 | N6 | HN62 | 108.8° | 119.9° |
C5 | N7 | C8 | 103.9° | 109.5° |
N7 | C8 | H8 | 121.2° | 125.1° |
O2' | C2' | C3' | 113.0° | 110.8° |
O2' | C2' | H2' | 103.6° | 110.8° |
C2' | O2' | HO2' | 111.0° | 106.8° |
C3' | C2' | H2' | 113.4° | 111.0° |
C2' | C3' | O3' | 108.8° | 110.5° |
C2' | C3' | H3' | 114.9° | 110.5° |
O3' | C3' | H3' | 107.0° | 110.4° |
C3' | O3' | HO3' | 110.8° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OA | N | HN1 | HN2 | 125.3° | 113.7° |
N | OA | CB | CG | 47.8° | 180.0° |
N | OA | CB | HB1 | 173.1° | 60.0° |
N | OA | CB | HB2 | 77.5° | 60.0° |
HN1 | N | OA | CB | 180.0° | 180.0° |
HN2 | N | OA | CB | 54.7° | 66.3° |
OA | CB | CG | HB1 | 125.3° | 120.0° |
OA | CB | CG | HB2 | 125.3° | 120.0° |
OA | CB | HB1 | HB2 | 116.5° | 120.0° |
OA | CB | CG | ND | 140.8° | 64.0° |
OA | CB | CG | HG1 | 93.9° | 55.9° |
OA | CB | CG | HG2 | 15.6° | 175.9° |
CG | CB | HB1 | HB2 | 116.4° | 120.0° |
CB | CG | ND | HG1 | 125.3° | 119.9° |
CB | CG | ND | HG2 | 125.3° | 120.0° |
CB | CG | HG1 | HG2 | 117.6° | 120.1° |
CB | CG | ND | CE | 110.0° | 164.0° |
CB | CG | ND | C5' | 132.2° | 82.2° |
HB1 | CB | CG | ND | 15.5° | 176.0° |
HB1 | CB | CG | HG1 | 140.8° | 64.1° |
HB1 | CB | CG | HG2 | 109.7° | 55.9° |
HB2 | CB | CG | ND | 93.9° | 56.0° |
HB2 | CB | CG | HG1 | 31.3° | 175.9° |
HB2 | CB | CG | HG2 | 140.9° | 64.0° |
ND | CG | HG1 | HG2 | 117.5° | 120.1° |
CG | ND | CE | C5' | 120.0° | 113.8° |
CG | ND | CE | HE1 | 180.0° | 174.0° |
CG | ND | CE | HE2 | 54.8° | 66.1° |
CG | ND | CE | HE3 | 54.7° | 53.9° |
CG | ND | C5' | C4' | 177.7° | 180.0° |
CG | ND | C5' | H5'1 | 57.1° | 60.1° |
CG | ND | C5' | H5'2 | 52.4° | 60.0° |
HG1 | CG | ND | CE | 124.7° | 44.1° |
HG1 | CG | ND | C5' | 6.9° | 157.9° |
HG2 | CG | ND | CE | 15.2° | 76.0° |
HG2 | CG | ND | C5' | 102.6° | 37.8° |
ND | CE | HE1 | HE2 | 125.2° | 119.9° |
ND | CE | HE1 | HE3 | 125.3° | 120.1° |
ND | CE | HE2 | HE3 | 119.0° | 120.1° |
CE | ND | C5' | C4' | 60.2° | 66.2° |
CE | ND | C5' | H5'1 | 174.5° | 173.8° |
CE | ND | C5' | H5'2 | 65.0° | 53.8° |
C5' | ND | CE | HE1 | 60.0° | 72.2° |
C5' | ND | CE | HE2 | 65.3° | 47.7° |
C5' | ND | CE | HE3 | 174.8° | 167.7° |
ND | C5' | C4' | H5'1 | 125.3° | 120.0° |
ND | C5' | C4' | H5'2 | 125.3° | 120.0° |
ND | C5' | H5'1 | H5'2 | 117.5° | 120.0° |
ND | C5' | C4' | O4' | 57.3° | 61.7° |
ND | C5' | C4' | C3' | 176.3° | 179.7° |
ND | C5' | C4' | H4' | 65.6° | 59.4° |
HE1 | CE | HE2 | HE3 | 119.0° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 117.4° | 120.0° |
C5' | C4' | O4' | C3' | 125.6° | 119.5° |
C5' | C4' | O4' | H4' | 115.8° | 121.0° |
C5' | C4' | C3' | H4' | 115.6° | 121.0° |
C5' | C4' | O4' | C1' | 117.8° | 145.9° |
C5' | C4' | C3' | C2' | 92.0° | 121.4° |
C5' | C4' | C3' | O3' | 152.1° | 119.8° |
C5' | C4' | C3' | H3' | 32.1° | 2.8° |
H5'1 | C5' | C4' | O4' | 68.0° | 58.3° |
H5'1 | C5' | C4' | C3' | 51.0° | 59.7° |
H5'1 | C5' | C4' | H4' | 169.1° | 179.3° |
H5'2 | C5' | C4' | O4' | 177.5° | 178.3° |
H5'2 | C5' | C4' | C3' | 58.5° | 60.3° |
H5'2 | C5' | C4' | H4' | 59.7° | 60.6° |
O4' | C4' | C3' | H4' | 123.0° | 119.5° |
C4' | O4' | C1' | N9 | 137.1° | 158.7° |
C4' | O4' | C1' | C2' | 17.2° | 40.1° |
C4' | O4' | C1' | H1' | 103.3° | 78.4° |
O4' | C4' | C3' | C2' | 29.4° | 1.9° |
O4' | C4' | C3' | O3' | 86.4° | 120.6° |
O4' | C4' | C3' | H3' | 153.5° | 116.7° |
C3' | C4' | O4' | C1' | 7.8° | 26.4° |
C4' | C3' | C2' | C1' | 38.4° | 21.0° |
C4' | C3' | C2' | O2' | 156.9° | 139.2° |
C4' | C3' | C2' | O3' | 117.3° | 119.0° |
C4' | C3' | C2' | H3' | 122.8° | 118.5° |
C4' | C3' | C2' | H2' | 85.5° | 97.2° |
C4' | C3' | O3' | H3' | 123.6° | 122.7° |
C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
H4' | C4' | O4' | C1' | 126.3° | 93.1° |
H4' | C4' | C3' | C2' | 152.4° | 117.6° |
H4' | C4' | C3' | O3' | 36.6° | 1.1° |
H4' | C4' | C3' | H3' | 83.5° | 123.8° |
O4' | C1' | N9 | C2' | 116.2° | 114.2° |
O4' | C1' | N9 | H1' | 123.0° | 122.9° |
O4' | C1' | C2' | H1' | 123.0° | 118.5° |
O4' | C1' | N9 | C4 | 41.7° | 151.7° |
O4' | C1' | N9 | C8 | 138.7° | 28.5° |
O4' | C1' | C2' | O2' | 155.0° | 155.3° |
O4' | C1' | C2' | C3' | 34.9° | 37.1° |
O4' | C1' | C2' | H2' | 87.6° | 81.2° |
N9 | C1' | C2' | H1' | 119.7° | 122.9° |
C1' | N9 | C4 | C8 | 179.6° | 179.8° |
C1' | N9 | C4 | N3 | 0.5° | 0.8° |
C1' | N9 | C4 | C5 | 179.1° | 179.9° |
C1' | N9 | C8 | N7 | 179.2° | 180.0° |
C1' | N9 | C8 | H8 | 0.8° | 0.1° |
N9 | C1' | C2' | O2' | 87.7° | 86.2° |
N9 | C1' | C2' | C3' | 152.3° | 155.7° |
N9 | C1' | C2' | H2' | 29.7° | 37.4° |
C2' | C1' | N9 | C4 | 74.5° | 94.1° |
C2' | C1' | N9 | C8 | 105.1° | 85.6° |
C1' | C2' | O2' | C3' | 112.5° | 112.7° |
C1' | C2' | O2' | H2' | 124.3° | 123.6° |
C1' | C2' | C3' | H2' | 123.9° | 118.3° |
C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
C1' | C2' | C3' | O3' | 78.9° | 97.9° |
C1' | C2' | C3' | H3' | 161.2° | 139.6° |
H1' | C1' | N9 | C4 | 164.7° | 28.8° |
H1' | C1' | N9 | C8 | 15.7° | 151.4° |
H1' | C1' | C2' | O2' | 32.0° | 36.8° |
H1' | C1' | C2' | C3' | 88.0° | 81.4° |
H1' | C1' | C2' | H2' | 149.4° | 160.3° |
N9 | C4 | N3 | C5 | 179.5° | 179.0° |
N9 | C4 | N3 | C2 | 179.3° | 179.6° |
N9 | C4 | C5 | C6 | 179.4° | 179.8° |
N9 | C4 | C5 | N7 | 0.5° | 0.4° |
C4 | N9 | C8 | N7 | 0.4° | 0.2° |
C4 | N9 | C8 | H8 | 179.6° | 179.7° |
C8 | N9 | C4 | N3 | 179.9° | 179.5° |
C8 | N9 | C4 | C5 | 0.6° | 0.4° |
N9 | C8 | N7 | C5 | 0.1° | 0.0° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
C4 | N3 | C2 | N1 | 0.0° | 0.2° |
C4 | N3 | C2 | H2 | 179.9° | 179.8° |
N3 | C4 | C5 | C6 | 0.1° | 0.6° |
N3 | C4 | C5 | N7 | 179.9° | 179.7° |
C5 | C4 | N3 | C2 | 0.2° | 0.5° |
C4 | C5 | C6 | N1 | 0.1° | 0.3° |
C4 | C5 | C6 | N6 | 179.9° | 179.7° |
C4 | C5 | C6 | N7 | 180.0° | 179.7° |
C4 | C5 | N7 | C8 | 0.3° | 0.3° |
N3 | C2 | N1 | H2 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.3° | 0.1° |
C2 | N1 | C6 | N6 | 179.8° | 180.0° |
C2 | N1 | C6 | C5 | 0.3° | 0.0° |
H2 | C2 | N1 | C6 | 179.7° | 179.9° |
N1 | C6 | N6 | C5 | 179.9° | 180.0° |
N1 | C6 | N6 | HN61 | 180.0° | 0.0° |
N1 | C6 | N6 | HN62 | 54.8° | 179.9° |
N1 | C6 | C5 | N7 | 179.9° | 180.0° |
C6 | N6 | HN61 | HN62 | 125.2° | 179.9° |
N6 | C6 | C5 | N7 | 0.1° | 0.0° |
C5 | C6 | N6 | HN61 | 0.0° | 180.0° |
C5 | C6 | N6 | HN62 | 125.2° | 0.1° |
C6 | C5 | N7 | C8 | 179.7° | 180.0° |
C5 | N7 | C8 | H8 | 179.9° | 180.0° |
O2' | C2' | C3' | H2' | 117.6° | 123.5° |
O2' | C2' | C3' | O3' | 39.7° | 20.2° |
O2' | C2' | C3' | H3' | 80.2° | 102.2° |
C3' | C2' | O2' | HO2' | 67.5° | 67.3° |
C2' | C3' | O3' | H3' | 124.6° | 122.5° |
C2' | C3' | O3' | HO3' | 68.2° | 61.5° |
H2' | C2' | O2' | HO2' | 55.7° | 56.4° |
H2' | C2' | C3' | O3' | 157.3° | 143.8° |
H2' | C2' | C3' | H3' | 37.4° | 21.3° |
H3' | C3' | O3' | HO3' | 56.4° | 61.0° |