EPI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.47Å | 1.56Å | |
N1 | C6 | sing | 1.47Å | 1.57Å | |
N1 | HN1 | sing | 1.01Å | 1.02Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.61Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.63Å | |
C4 | C1' | sing | 1.53Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C1' | C2' | sing | 1.53Å | 1.56Å | |
C1' | H1'1 | sing | 1.09Å | 1.11Å | |
C1' | H1'2 | sing | 1.09Å | 1.11Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C2' | H2'3 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 122.9° | 107.3° |
C2 | N1 | HN1 | 107.4° | 106.8° |
N1 | C2 | C3 | 109.6° | 109.8° |
N1 | C2 | H21 | 112.2° | 109.5° |
N1 | C2 | H22 | 112.2° | 109.4° |
C6 | N1 | HN1 | 107.4° | 106.7° |
N1 | C6 | C5 | 104.2° | 109.8° |
N1 | C6 | H61 | 114.3° | 109.4° |
N1 | C6 | H62 | 114.2° | 109.5° |
C3 | C2 | H21 | 112.1° | 109.4° |
C3 | C2 | H22 | 112.2° | 109.4° |
C2 | C3 | C4 | 109.7° | 109.2° |
C2 | C3 | H31 | 112.1° | 109.5° |
C2 | C3 | H32 | 112.1° | 109.5° |
H21 | C2 | H22 | 98.2° | 109.4° |
C4 | C3 | H31 | 112.1° | 109.6° |
C4 | C3 | H32 | 112.1° | 109.5° |
C3 | C4 | C5 | 115.8° | 109.0° |
C3 | C4 | C1' | 100.8° | 109.6° |
C3 | C4 | H4 | 112.1° | 109.6° |
H31 | C3 | H32 | 98.3° | 109.5° |
C5 | C4 | C1' | 111.9° | 109.6° |
C5 | C4 | H4 | 101.0° | 109.7° |
C4 | C5 | C6 | 111.8° | 109.2° |
C4 | C5 | H51 | 111.4° | 109.5° |
C4 | C5 | H52 | 111.4° | 109.5° |
C1' | C4 | H4 | 115.9° | 109.5° |
C4 | C1' | C2' | 115.5° | 109.5° |
C4 | C1' | H1'1 | 110.0° | 109.5° |
C4 | C1' | H1'2 | 110.0° | 109.4° |
C6 | C5 | H51 | 111.3° | 109.5° |
C6 | C5 | H52 | 111.4° | 109.5° |
C5 | C6 | H61 | 114.2° | 109.4° |
C5 | C6 | H62 | 114.2° | 109.5° |
H51 | C5 | H52 | 99.0° | 109.5° |
H61 | C6 | H62 | 96.2° | 109.3° |
C2' | C1' | H1'1 | 110.0° | 109.5° |
C2' | C1' | H1'2 | 110.0° | 109.5° |
C1' | C2' | H2'1 | 115.6° | 109.5° |
C1' | C2' | H2'2 | 110.0° | 109.5° |
C1' | C2' | H2'3 | 110.0° | 109.5° |
H1'1 | C1' | H1'2 | 100.3° | 109.4° |
H2'1 | C2' | H2'2 | 110.0° | 109.4° |
H2'1 | C2' | H2'3 | 110.0° | 109.5° |
H2'2 | C2' | H2'3 | 100.1° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | HN1 | 125.2° | 114.2° |
N1 | C2 | C3 | H21 | 125.2° | 120.1° |
N1 | C2 | C3 | H22 | 125.3° | 120.1° |
N1 | C2 | H21 | H22 | 118.1° | 119.8° |
N1 | C2 | C3 | C4 | 46.5° | 61.4° |
N1 | C2 | C3 | H31 | 171.8° | 178.6° |
N1 | C2 | C3 | H32 | 78.7° | 58.5° |
C2 | N1 | C6 | C5 | 56.3° | 65.6° |
C2 | N1 | C6 | H61 | 178.4° | 54.5° |
C2 | N1 | C6 | H62 | 69.0° | 174.2° |
C6 | N1 | C2 | C3 | 56.0° | 65.6° |
C6 | N1 | C2 | H21 | 69.3° | 54.5° |
C6 | N1 | C2 | H22 | 178.7° | 174.3° |
N1 | C6 | C5 | C4 | 50.3° | 61.3° |
N1 | C6 | C5 | H61 | 125.3° | 120.1° |
N1 | C6 | C5 | H62 | 125.3° | 120.2° |
N1 | C6 | C5 | H51 | 175.5° | 58.6° |
N1 | C6 | C5 | H52 | 75.0° | 178.7° |
N1 | C6 | H61 | H62 | 120.1° | 119.9° |
HN1 | N1 | C2 | C3 | 178.8° | 179.7° |
HN1 | N1 | C2 | H21 | 56.0° | 59.6° |
HN1 | N1 | C2 | H22 | 53.5° | 60.2° |
HN1 | N1 | C6 | C5 | 178.5° | 179.7° |
HN1 | N1 | C6 | H61 | 53.2° | 59.7° |
HN1 | N1 | C6 | H62 | 56.3° | 60.0° |
C3 | C2 | H21 | H22 | 118.1° | 119.8° |
C2 | C3 | C4 | H31 | 125.2° | 120.0° |
C2 | C3 | C4 | H32 | 125.3° | 119.9° |
C2 | C3 | H31 | H32 | 118.0° | 120.1° |
C2 | C3 | C4 | C5 | 50.8° | 55.5° |
C2 | C3 | C4 | C1' | 171.8° | 175.5° |
C2 | C3 | C4 | H4 | 64.3° | 64.4° |
H21 | C2 | C3 | C4 | 78.7° | 58.8° |
H21 | C2 | C3 | H31 | 46.5° | 61.2° |
H21 | C2 | C3 | H32 | 156.0° | 178.6° |
H22 | C2 | C3 | C4 | 171.8° | 178.6° |
H22 | C2 | C3 | H31 | 62.9° | 58.6° |
H22 | C2 | C3 | H32 | 46.6° | 61.6° |
C4 | C3 | H31 | H32 | 118.0° | 120.1° |
C3 | C4 | C5 | C1' | 114.8° | 119.9° |
C3 | C4 | C5 | H4 | 121.3° | 119.9° |
C3 | C4 | C1' | H4 | 121.3° | 120.2° |
C3 | C4 | C5 | C6 | 54.7° | 55.5° |
C3 | C4 | C5 | H51 | 180.0° | 64.4° |
C3 | C4 | C5 | H52 | 70.6° | 175.5° |
C3 | C4 | C1' | C2' | 169.3° | 180.0° |
C3 | C4 | C1' | H1'1 | 44.1° | 59.9° |
C3 | C4 | C1' | H1'2 | 65.4° | 60.0° |
H31 | C3 | C4 | C5 | 176.1° | 175.5° |
H31 | C3 | C4 | C1' | 63.0° | 64.6° |
H31 | C3 | C4 | H4 | 60.9° | 55.5° |
H32 | C3 | C4 | C5 | 74.4° | 64.3° |
H32 | C3 | C4 | C1' | 46.5° | 55.6° |
H32 | C3 | C4 | H4 | 170.4° | 175.7° |
C5 | C4 | C1' | H4 | 115.1° | 120.3° |
C4 | C5 | C6 | H51 | 125.3° | 119.9° |
C4 | C5 | C6 | H52 | 125.3° | 120.0° |
C4 | C5 | H51 | H52 | 117.3° | 120.1° |
C4 | C5 | C6 | H61 | 175.6° | 58.8° |
C4 | C5 | C6 | H62 | 75.0° | 178.4° |
C5 | C4 | C1' | C2' | 67.0° | 60.5° |
C5 | C4 | C1' | H1'1 | 167.8° | 179.4° |
C5 | C4 | C1' | H1'2 | 58.2° | 59.5° |
C1' | C4 | C5 | C6 | 169.5° | 175.4° |
C1' | C4 | C5 | H51 | 65.3° | 55.5° |
C1' | C4 | C5 | H52 | 44.2° | 64.6° |
C4 | C1' | C2' | H1'1 | 125.2° | 120.1° |
C4 | C1' | C2' | H1'2 | 125.3° | 120.0° |
C4 | C1' | H1'1 | H1'2 | 115.9° | 119.9° |
C4 | C1' | C2' | H2'1 | 180.0° | 180.0° |
C4 | C1' | C2' | H2'2 | 54.7° | 60.0° |
C4 | C1' | C2' | H2'3 | 54.7° | 59.9° |
H4 | C4 | C5 | C6 | 66.6° | 64.4° |
H4 | C4 | C5 | H51 | 58.6° | 175.7° |
H4 | C4 | C5 | H52 | 168.1° | 55.6° |
H4 | C4 | C1' | C2' | 48.1° | 59.8° |
H4 | C4 | C1' | H1'1 | 77.1° | 60.3° |
H4 | C4 | C1' | H1'2 | 173.3° | 179.8° |
C6 | C5 | H51 | H52 | 117.3° | 120.1° |
C5 | C6 | H61 | H62 | 120.1° | 119.8° |
H51 | C5 | C6 | H61 | 59.1° | 178.7° |
H51 | C5 | C6 | H62 | 50.3° | 61.7° |
H52 | C5 | C6 | H61 | 50.3° | 61.2° |
H52 | C5 | C6 | H62 | 159.7° | 58.5° |
C2' | C1' | H1'1 | H1'2 | 115.8° | 120.0° |
C1' | C2' | H2'1 | H2'2 | 125.3° | 120.0° |
C1' | C2' | H2'1 | H2'3 | 125.3° | 120.1° |
C1' | C2' | H2'2 | H2'3 | 115.8° | 120.0° |
H1'1 | C1' | C2' | H2'1 | 54.8° | 59.9° |
H1'1 | C1' | C2' | H2'2 | 179.9° | 60.0° |
H1'1 | C1' | C2' | H2'3 | 70.5° | 180.0° |
H1'2 | C1' | C2' | H2'1 | 54.7° | 60.0° |
H1'2 | C1' | C2' | H2'2 | 70.6° | 180.0° |
H1'2 | C1' | C2' | H2'3 | 180.0° | 60.0° |
H2'1 | C2' | H2'2 | H2'3 | 115.8° | 120.0° |