Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | C1' | sing | 1.53Å | 1.54Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | N2 | sing | 1.47Å | 1.47Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | C8 | sing | 1.53Å | 1.53Å | |
C6 | H6 | sing | 1.09Å | 1.11Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
C7 | H73 | sing | 1.09Å | 1.12Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.12Å | |
C8 | H83 | sing | 1.09Å | 1.11Å | |
C1' | C2' | sing | 1.53Å | 1.54Å | |
C1' | C6' | sing | 1.53Å | 1.41Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
C2' | C3' | sing | 1.53Å | 1.54Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C3' | C4' | sing | 1.53Å | 1.53Å | |
C3' | H3'1 | sing | 1.09Å | 1.11Å | |
C3' | H3'2 | sing | 1.09Å | 1.12Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
C4' | H4'1 | sing | 1.09Å | 1.11Å | |
C4' | H4'2 | sing | 1.09Å | 1.11Å | |
C5' | C6' | sing | 1.53Å | 1.53Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C6' | H6'1 | sing | 1.09Å | 1.12Å | |
C6' | H6'2 | sing | 1.09Å | 1.11Å | |
N2 | HN21 | sing | 1.01Å | 1.02Å | |
N2 | HN22 | sing | 1.01Å | 1.02Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C1' | 113.6° | 109.5° |
C2 | C1 | H11 | 110.7° | 109.5° |
C2 | C1 | H12 | 110.7° | 109.5° |
C1 | C2 | C3 | 110.0° | 109.5° |
C1 | C2 | N2 | 110.2° | 109.5° |
C1 | C2 | H2 | 108.7° | 109.5° |
C1' | C1 | H11 | 110.7° | 109.5° |
C1' | C1 | H12 | 110.7° | 109.5° |
C1 | C1' | C2' | 110.4° | 109.5° |
C1 | C1' | C6' | 109.9° | 109.5° |
C1 | C1' | H1' | 108.4° | 109.5° |
H11 | C1 | H12 | 99.6° | 109.4° |
C3 | C2 | N2 | 109.7° | 109.5° |
C3 | C2 | H2 | 109.2° | 109.5° |
C2 | C3 | C4 | 109.3° | 109.5° |
C2 | C3 | O3 | 110.0° | 109.5° |
C2 | C3 | H3 | 109.3° | 109.5° |
N2 | C2 | H2 | 109.0° | 109.4° |
C2 | N2 | HN21 | 110.2° | 106.7° |
C2 | N2 | HN22 | 112.0° | 106.7° |
C4 | C3 | O3 | 109.4° | 109.4° |
C4 | C3 | H3 | 109.8° | 109.5° |
C3 | C4 | C5 | 111.2° | 109.5° |
C3 | C4 | O4 | 109.9° | 109.4° |
C3 | C4 | H4 | 107.6° | 109.5° |
O3 | C3 | H3 | 109.0° | 109.4° |
C3 | O3 | HO3 | 110.0° | 106.8° |
C5 | C4 | O4 | 108.3° | 109.4° |
C5 | C4 | H4 | 109.2° | 109.5° |
C4 | C5 | C6 | 109.5° | 109.5° |
C4 | C5 | H51 | 112.2° | 109.5° |
C4 | C5 | H52 | 112.2° | 109.5° |
O4 | C4 | H4 | 110.6° | 109.5° |
C4 | O4 | HO4 | 109.9° | 106.8° |
C6 | C5 | H51 | 112.2° | 109.4° |
C6 | C5 | H52 | 112.2° | 109.5° |
C5 | C6 | C7 | 110.3° | 109.5° |
C5 | C6 | C8 | 110.0° | 109.5° |
C5 | C6 | H6 | 108.4° | 109.5° |
H51 | C5 | H52 | 98.2° | 109.5° |
C7 | C6 | C8 | 108.8° | 109.5° |
C7 | C6 | H6 | 109.5° | 109.4° |
C6 | C7 | H71 | 110.3° | 109.5° |
C6 | C7 | H72 | 111.9° | 109.5° |
C6 | C7 | H73 | 111.9° | 109.4° |
C8 | C6 | H6 | 109.8° | 109.5° |
C6 | C8 | H81 | 110.0° | 109.5° |
C6 | C8 | H82 | 112.0° | 109.4° |
C6 | C8 | H83 | 112.0° | 109.4° |
H71 | C7 | H72 | 111.9° | 109.5° |
H71 | C7 | H73 | 111.8° | 109.4° |
H72 | C7 | H73 | 98.5° | 109.4° |
H81 | C8 | H82 | 111.9° | 109.5° |
H81 | C8 | H83 | 112.0° | 109.5° |
H82 | C8 | H83 | 98.4° | 109.5° |
C2' | C1' | C6' | 108.9° | 109.5° |
C2' | C1' | H1' | 109.4° | 109.4° |
C1' | C2' | C3' | 110.3° | 109.5° |
C1' | C2' | H2'1 | 111.9° | 109.5° |
C1' | C2' | H2'2 | 111.9° | 109.4° |
C6' | C1' | H1' | 109.9° | 109.4° |
C1' | C6' | C5' | 110.5° | 109.5° |
C1' | C6' | H6'1 | 111.8° | 109.5° |
C1' | C6' | H6'2 | 111.8° | 109.5° |
C3' | C2' | H2'1 | 111.9° | 109.5° |
C3' | C2' | H2'2 | 111.9° | 109.4° |
C2' | C3' | C4' | 109.9° | 109.5° |
C2' | C3' | H3'1 | 112.0° | 109.5° |
C2' | C3' | H3'2 | 112.0° | 109.5° |
H2'1 | C2' | H2'2 | 98.5° | 109.5° |
C4' | C3' | H3'1 | 112.1° | 109.4° |
C4' | C3' | H3'2 | 112.0° | 109.5° |
C3' | C4' | C5' | 109.6° | 109.5° |
C3' | C4' | H4'1 | 112.1° | 109.5° |
C3' | C4' | H4'2 | 112.1° | 109.4° |
H3'1 | C3' | H3'2 | 98.4° | 109.3° |
C5' | C4' | H4'1 | 112.2° | 109.5° |
C5' | C4' | H4'2 | 112.1° | 109.4° |
C4' | C5' | C6' | 110.1° | 109.5° |
C4' | C5' | H5'1 | 112.0° | 109.4° |
C4' | C5' | H5'2 | 112.0° | 109.5° |
H4'1 | C4' | H4'2 | 98.3° | 109.4° |
C6' | C5' | H5'1 | 112.0° | 109.4° |
C6' | C5' | H5'2 | 112.0° | 109.5° |
C5' | C6' | H6'1 | 111.8° | 109.4° |
C5' | C6' | H6'2 | 111.9° | 109.5° |
H5'1 | C5' | H5'2 | 98.4° | 109.4° |
H6'1 | C6' | H6'2 | 98.6° | 109.5° |
HN21 | N2 | HN22 | 111.9° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C1' | H11 | 125.2° | 120.1° |
C2 | C1 | C1' | H12 | 125.2° | 120.0° |
C2 | C1 | H11 | H12 | 116.5° | 120.0° |
C1 | C2 | C3 | N2 | 121.4° | 120.0° |
C1 | C2 | C3 | H2 | 119.2° | 120.0° |
C1 | C2 | N2 | H2 | 119.2° | 120.0° |
C1 | C2 | C3 | C4 | 179.2° | 180.0° |
C1 | C2 | C3 | O3 | 60.6° | 60.0° |
C1 | C2 | C3 | H3 | 59.0° | 60.0° |
C2 | C1 | C1' | C2' | 60.9° | 180.0° |
C2 | C1 | C1' | C6' | 179.0° | 60.0° |
C2 | C1 | C1' | H1' | 58.9° | 60.0° |
C1 | C2 | N2 | HN21 | 180.0° | 60.0° |
C1 | C2 | N2 | HN22 | 54.7° | 53.7° |
C1' | C1 | H11 | H12 | 116.6° | 119.9° |
C1' | C1 | C2 | C3 | 176.5° | 180.0° |
C1' | C1 | C2 | N2 | 55.3° | 60.0° |
C1' | C1 | C2 | H2 | 64.0° | 60.0° |
C1 | C1' | C2' | C6' | 120.7° | 120.0° |
C1 | C1' | C2' | H1' | 119.2° | 120.0° |
C1 | C1' | C6' | H1' | 119.2° | 120.0° |
C1 | C1' | C2' | C3' | 177.8° | 179.9° |
C1 | C1' | C2' | H2'1 | 56.9° | 60.0° |
C1 | C1' | C2' | H2'2 | 52.6° | 60.1° |
C1 | C1' | C6' | C5' | 175.4° | 180.0° |
C1 | C1' | C6' | H6'1 | 50.1° | 60.0° |
C1 | C1' | C6' | H6'2 | 59.3° | 60.0° |
H11 | C1 | C2 | C3 | 51.2° | 60.0° |
H11 | C1 | C2 | N2 | 69.9° | 60.0° |
H11 | C1 | C2 | H2 | 170.7° | 180.0° |
H11 | C1 | C1' | C2' | 173.9° | 59.9° |
H11 | C1 | C1' | C6' | 53.8° | 180.0° |
H11 | C1 | C1' | H1' | 66.3° | 60.1° |
H12 | C1 | C2 | C3 | 58.3° | 60.0° |
H12 | C1 | C2 | N2 | 179.4° | 180.0° |
H12 | C1 | C2 | H2 | 61.2° | 60.1° |
H12 | C1 | C1' | C2' | 64.3° | 60.0° |
H12 | C1 | C1' | C6' | 55.8° | 60.0° |
H12 | C1 | C1' | H1' | 175.9° | 180.0° |
C3 | C2 | N2 | H2 | 119.5° | 120.0° |
C2 | C3 | C4 | O3 | 120.6° | 120.0° |
C2 | C3 | C4 | H3 | 119.8° | 120.0° |
C2 | C3 | O3 | H3 | 119.8° | 120.0° |
C2 | C3 | C4 | C5 | 175.4° | 180.0° |
C2 | C3 | C4 | O4 | 64.6° | 60.0° |
C2 | C3 | C4 | H4 | 55.8° | 60.0° |
C3 | C2 | N2 | HN21 | 58.7° | 60.0° |
C3 | C2 | N2 | HN22 | 176.0° | 173.7° |
C2 | C3 | O3 | HO3 | 179.9° | 60.0° |
N2 | C2 | C3 | C4 | 59.4° | 59.9° |
N2 | C2 | C3 | O3 | 60.8° | 60.0° |
N2 | C2 | C3 | H3 | 179.5° | 180.0° |
C2 | N2 | HN21 | HN22 | 125.3° | 113.7° |
H2 | C2 | C3 | C4 | 59.9° | 60.0° |
H2 | C2 | C3 | O3 | 179.9° | 180.0° |
H2 | C2 | C3 | H3 | 60.2° | 60.0° |
H2 | C2 | N2 | HN21 | 60.8° | 180.0° |
H2 | C2 | N2 | HN22 | 64.5° | 66.2° |
C4 | C3 | O3 | H3 | 120.1° | 120.0° |
C3 | C4 | C5 | O4 | 120.9° | 119.9° |
C3 | C4 | C5 | H4 | 118.6° | 120.1° |
C3 | C4 | O4 | H4 | 118.7° | 120.0° |
C3 | C4 | C5 | C6 | 179.7° | 180.0° |
C3 | C4 | C5 | H51 | 55.1° | 60.1° |
C3 | C4 | C5 | H52 | 54.4° | 59.9° |
C4 | C3 | O3 | HO3 | 59.8° | 60.0° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 54.8° | 60.0° |
O3 | C3 | C4 | O4 | 174.8° | 180.0° |
O3 | C3 | C4 | H4 | 64.7° | 60.0° |
H3 | C3 | C4 | C5 | 64.8° | 59.9° |
H3 | C3 | C4 | O4 | 55.2° | 60.0° |
H3 | C3 | C4 | H4 | 175.7° | 180.0° |
H3 | C3 | O3 | HO3 | 60.2° | 180.0° |
C5 | C4 | O4 | H4 | 119.6° | 120.0° |
C4 | C5 | C6 | H51 | 125.3° | 119.9° |
C4 | C5 | C6 | H52 | 125.2° | 120.1° |
C4 | C5 | H51 | H52 | 118.1° | 120.0° |
C4 | C5 | C6 | C7 | 170.6° | 180.0° |
C4 | C5 | C6 | C8 | 69.3° | 59.9° |
C4 | C5 | C6 | H6 | 50.7° | 60.1° |
C5 | C4 | O4 | HO4 | 58.3° | 60.0° |
O4 | C4 | C5 | C6 | 59.4° | 60.1° |
O4 | C4 | C5 | H51 | 65.8° | 180.0° |
O4 | C4 | C5 | H52 | 175.3° | 60.0° |
H4 | C4 | C5 | C6 | 61.0° | 59.9° |
H4 | C4 | C5 | H51 | 173.7° | 60.0° |
H4 | C4 | C5 | H52 | 64.2° | 180.0° |
H4 | C4 | O4 | HO4 | 61.3° | 180.0° |
C6 | C5 | H51 | H52 | 118.1° | 120.0° |
C5 | C6 | C7 | C8 | 120.7° | 120.1° |
C5 | C6 | C7 | H6 | 119.2° | 120.0° |
C5 | C6 | C8 | H6 | 119.2° | 120.0° |
C5 | C6 | C7 | H71 | 180.0° | 180.0° |
C5 | C6 | C7 | H72 | 54.7° | 59.9° |
C5 | C6 | C7 | H73 | 54.8° | 60.1° |
C5 | C6 | C8 | H81 | 180.0° | 60.0° |
C5 | C6 | C8 | H82 | 54.8° | 60.0° |
C5 | C6 | C8 | H83 | 54.8° | 180.0° |
H51 | C5 | C6 | C7 | 45.3° | 60.1° |
H51 | C5 | C6 | C8 | 165.4° | 60.0° |
H51 | C5 | C6 | H6 | 74.6° | 180.0° |
H52 | C5 | C6 | C7 | 64.1° | 59.9° |
H52 | C5 | C6 | C8 | 55.9° | 180.0° |
H52 | C5 | C6 | H6 | 176.0° | 60.0° |
C7 | C6 | C8 | H6 | 119.9° | 119.9° |
C6 | C7 | H71 | H72 | 125.3° | 120.1° |
C6 | C7 | H71 | H73 | 125.3° | 120.0° |
C6 | C7 | H72 | H73 | 117.9° | 120.0° |
C7 | C6 | C8 | H81 | 59.1° | 60.0° |
C7 | C6 | C8 | H82 | 66.1° | 179.9° |
C7 | C6 | C8 | H83 | 175.7° | 59.9° |
C8 | C6 | C7 | H71 | 59.2° | 59.9° |
C8 | C6 | C7 | H72 | 175.5° | 180.0° |
C8 | C6 | C7 | H73 | 66.0° | 60.0° |
C6 | C8 | H81 | H82 | 125.2° | 120.0° |
C6 | C8 | H81 | H83 | 125.3° | 119.9° |
C6 | C8 | H82 | H83 | 118.0° | 120.0° |
H6 | C6 | C7 | H71 | 60.8° | 60.1° |
H6 | C6 | C7 | H72 | 64.5° | 60.0° |
H6 | C6 | C7 | H73 | 174.0° | 180.0° |
H6 | C6 | C8 | H81 | 60.8° | 179.9° |
H6 | C6 | C8 | H82 | 174.0° | 60.0° |
H6 | C6 | C8 | H83 | 64.5° | 60.0° |
H71 | C7 | H72 | H73 | 117.7° | 119.9° |
H81 | C8 | H82 | H83 | 117.9° | 120.0° |
C2' | C1' | C6' | H1' | 119.8° | 120.0° |
C1' | C2' | C3' | H2'1 | 125.2° | 120.1° |
C1' | C2' | C3' | H2'2 | 125.2° | 119.9° |
C1' | C2' | H2'1 | H2'2 | 117.8° | 120.0° |
C1' | C2' | C3' | C4' | 56.0° | 59.9° |
C1' | C2' | C3' | H3'1 | 178.7° | 60.0° |
C1' | C2' | C3' | H3'2 | 69.3° | 179.9° |
C2' | C1' | C6' | C5' | 63.6° | 59.9° |
C2' | C1' | C6' | H6'1 | 171.1° | 60.0° |
C2' | C1' | C6' | H6'2 | 61.7° | 180.0° |
C6' | C1' | C2' | C3' | 61.5° | 59.9° |
C6' | C1' | C2' | H2'1 | 63.8° | 180.0° |
C6' | C1' | C2' | H2'2 | 173.3° | 60.0° |
C1' | C6' | C5' | C4' | 62.3° | 59.9° |
C1' | C6' | C5' | H6'1 | 125.2° | 120.0° |
C1' | C6' | C5' | H6'2 | 125.3° | 120.0° |
C1' | C6' | C5' | H5'1 | 172.4° | 60.0° |
C1' | C6' | C5' | H5'2 | 62.9° | 180.0° |
C1' | C6' | H6'1 | H6'2 | 117.7° | 120.0° |
H1' | C1' | C2' | C3' | 58.6° | 60.0° |
H1' | C1' | C2' | H2'1 | 176.1° | 60.0° |
H1' | C1' | C2' | H2'2 | 66.6° | 179.9° |
H1' | C1' | C6' | C5' | 56.2° | 60.0° |
H1' | C1' | C6' | H6'1 | 69.0° | 179.9° |
H1' | C1' | C6' | H6'2 | 178.5° | 60.0° |
C3' | C2' | H2'1 | H2'2 | 117.8° | 119.9° |
C2' | C3' | C4' | H3'1 | 125.3° | 120.0° |
C2' | C3' | C4' | H3'2 | 125.2° | 120.1° |
C2' | C3' | H3'1 | H3'2 | 117.9° | 120.0° |
C2' | C3' | C4' | C5' | 53.8° | 59.9° |
C2' | C3' | C4' | H4'1 | 71.5° | 180.0° |
C2' | C3' | C4' | H4'2 | 179.0° | 60.0° |
H2'1 | C2' | C3' | C4' | 69.3° | 180.0° |
H2'1 | C2' | C3' | H3'1 | 56.0° | 60.0° |
H2'1 | C2' | C3' | H3'2 | 165.5° | 59.8° |
H2'2 | C2' | C3' | C4' | 178.8° | 60.0° |
H2'2 | C2' | C3' | H3'1 | 53.5° | 180.0° |
H2'2 | C2' | C3' | H3'2 | 56.0° | 60.1° |
C4' | C3' | H3'1 | H3'2 | 118.0° | 119.9° |
C3' | C4' | C5' | H4'1 | 125.2° | 120.1° |
C3' | C4' | C5' | H4'2 | 125.2° | 120.0° |
C3' | C4' | H4'1 | H4'2 | 118.1° | 119.9° |
C3' | C4' | C5' | C6' | 55.6° | 59.9° |
C3' | C4' | C5' | H5'1 | 179.1° | 60.0° |
C3' | C4' | C5' | H5'2 | 69.6° | 180.0° |
H3'1 | C3' | C4' | C5' | 179.0° | 60.1° |
H3'1 | C3' | C4' | H4'1 | 53.7° | 60.0° |
H3'1 | C3' | C4' | H4'2 | 55.8° | 179.9° |
H3'2 | C3' | C4' | C5' | 71.5° | 179.9° |
H3'2 | C3' | C4' | H4'1 | 163.3° | 59.8° |
H3'2 | C3' | C4' | H4'2 | 53.7° | 60.1° |
C5' | C4' | H4'1 | H4'2 | 118.1° | 120.0° |
C4' | C5' | C6' | H5'1 | 125.3° | 120.0° |
C4' | C5' | C6' | H5'2 | 125.2° | 120.1° |
C4' | C5' | H5'1 | H5'2 | 117.9° | 120.0° |
C4' | C5' | C6' | H6'1 | 172.5° | 60.0° |
C4' | C5' | C6' | H6'2 | 63.0° | 179.9° |
H4'1 | C4' | C5' | C6' | 69.6° | 180.0° |
H4'1 | C4' | C5' | H5'1 | 55.7° | 60.1° |
H4'1 | C4' | C5' | H5'2 | 165.1° | 59.9° |
H4'2 | C4' | C5' | C6' | 179.2° | 60.1° |
H4'2 | C4' | C5' | H5'1 | 53.9° | 180.0° |
H4'2 | C4' | C5' | H5'2 | 55.6° | 60.1° |
C6' | C5' | H5'1 | H5'2 | 117.9° | 120.0° |
C5' | C6' | H6'1 | H6'2 | 117.8° | 120.0° |
H5'1 | C5' | C6' | H6'1 | 47.1° | 180.0° |
H5'1 | C5' | C6' | H6'2 | 62.3° | 60.0° |
H5'2 | C5' | C6' | H6'1 | 62.3° | 60.1° |
H5'2 | C5' | C6' | H6'2 | 171.8° | 60.0° |