N13
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OB | CA | doub | 1.21Å | 1.23Å | |
C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
C33 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
C31 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
CA | C26 | sing | 1.51Å | 1.56Å | |
CA | NB | sing | 1.35Å | 1.32Å | |
C28 | NB | sing | 1.40Å | 1.33Å | |
C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
C26 | C21 | sing | 1.51Å | 1.52Å | |
C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
C30 | FA | sing | 1.35Å | 1.48Å | |
C21 | C25 | doub | 1.35Å | 1.34Å | Aromatic |
C21 | N22 | sing | 1.35Å | 1.31Å | Aromatic |
C25 | C24 | sing | 1.41Å | 1.35Å | Aromatic |
N22 | N23 | sing | 1.40Å | 1.10Å | Aromatic |
N23 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
C24 | C16 | sing | 1.48Å | 1.36Å | |
C16 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.36Å | 1.39Å | Aromatic |
C17 | C19 | doub | 1.39Å | 1.36Å | Aromatic |
C14 | C18 | doub | 1.40Å | 1.33Å | Aromatic |
C19 | C18 | sing | 1.41Å | 1.35Å | Aromatic |
C19 | N11 | sing | 1.37Å | 1.35Å | Aromatic |
C18 | C13 | sing | 1.47Å | 1.35Å | Aromatic |
N11 | N12 | sing | 1.40Å | 1.34Å | Aromatic |
C13 | N12 | doub | 1.31Å | 1.34Å | Aromatic |
C13 | C02 | sing | 1.48Å | 1.34Å | |
N01 | C02 | doub | 1.31Å | 1.33Å | Aromatic |
N01 | C09 | sing | 1.36Å | 1.36Å | Aromatic |
C02 | N03 | sing | 1.37Å | 1.36Å | Aromatic |
C09 | C07 | doub | 1.40Å | 1.35Å | Aromatic |
C09 | C08 | sing | 1.41Å | 1.35Å | Aromatic |
C07 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
N03 | C08 | sing | 1.38Å | 1.35Å | Aromatic |
C08 | C04 | doub | 1.39Å | 1.33Å | Aromatic |
C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
C04 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
C29 | H1 | sing | 1.08Å | 1.08Å | |
C31 | H2 | sing | 1.08Å | 1.08Å | |
C32 | H3 | sing | 1.08Å | 1.08Å | |
C33 | H4 | sing | 1.08Å | 1.08Å | |
NB | H5 | sing | 0.97Å | 1.00Å | |
C26 | H6 | sing | 1.09Å | 1.10Å | |
C26 | H7 | sing | 1.09Å | 1.10Å | |
C25 | H8 | sing | 1.08Å | 1.08Å | |
N22 | H9 | sing | 0.97Å | 1.00Å | |
C17 | H10 | sing | 1.08Å | 1.08Å | |
C15 | H11 | sing | 1.08Å | 1.08Å | |
C14 | H12 | sing | 1.08Å | 1.08Å | |
N11 | H13 | sing | 0.97Å | 1.00Å | |
N03 | H14 | sing | 0.97Å | 1.00Å | |
C04 | H15 | sing | 1.08Å | 1.08Å | |
C05 | H16 | sing | 1.08Å | 1.08Å | |
C06 | H17 | sing | 1.08Å | 1.08Å | |
C07 | H18 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OB | CA | C26 | 122.6° | 120.0° |
OB | CA | NB | 122.9° | 120.0° |
C33 | C32 | C31 | 119.3° | 120.1° |
C32 | C33 | C28 | 119.9° | 119.9° |
C33 | C32 | H3 | 120.4° | 119.9° |
C32 | C33 | H4 | 120.1° | 120.0° |
C32 | C31 | C30 | 120.3° | 120.1° |
C32 | C31 | H2 | 119.8° | 119.9° |
C31 | C32 | H3 | 120.3° | 119.9° |
C33 | C28 | NB | 125.2° | 120.0° |
C33 | C28 | C29 | 120.3° | 119.9° |
C28 | C33 | H4 | 120.1° | 120.0° |
C31 | C30 | C29 | 119.9° | 120.0° |
C31 | C30 | FA | 123.1° | 120.0° |
C30 | C31 | H2 | 119.8° | 119.9° |
C26 | CA | NB | 114.5° | 120.0° |
CA | C26 | C21 | 106.0° | 109.5° |
CA | C26 | H6 | 110.4° | 109.5° |
CA | C26 | H7 | 110.4° | 109.5° |
CA | NB | C28 | 120.6° | 120.0° |
CA | NB | H5 | 119.7° | 120.0° |
NB | C28 | C29 | 114.4° | 120.1° |
C28 | NB | H5 | 119.7° | 120.0° |
C28 | C29 | C30 | 120.2° | 119.9° |
C28 | C29 | H1 | 119.9° | 120.0° |
C26 | C21 | C25 | 131.6° | 126.0° |
C26 | C21 | N22 | 117.6° | 126.0° |
C21 | C26 | H6 | 110.4° | 109.4° |
C21 | C26 | H7 | 110.3° | 109.5° |
C29 | C30 | FA | 117.0° | 120.0° |
C30 | C29 | H1 | 119.9° | 120.0° |
C25 | C21 | N22 | 110.9° | 107.9° |
C21 | C25 | C24 | 100.0° | 107.9° |
C21 | C25 | H8 | 130.0° | 126.0° |
C21 | N22 | N23 | 109.2° | 108.2° |
C21 | N22 | H9 | 125.4° | 125.9° |
C25 | C24 | N23 | 106.7° | 107.9° |
C25 | C24 | C16 | 132.4° | 126.0° |
C24 | C25 | H8 | 130.0° | 126.1° |
N22 | N23 | C24 | 113.0° | 108.1° |
N23 | N22 | H9 | 125.4° | 126.0° |
N23 | C24 | C16 | 120.4° | 126.0° |
C24 | C16 | C15 | 123.0° | 119.8° |
C24 | C16 | C17 | 121.6° | 119.8° |
C15 | C16 | C17 | 115.3° | 120.4° |
C16 | C15 | C14 | 121.3° | 120.4° |
C16 | C15 | H11 | 119.3° | 119.8° |
C16 | C17 | C19 | 122.1° | 119.6° |
C16 | C17 | H10 | 118.9° | 120.2° |
C15 | C14 | C18 | 120.9° | 120.0° |
C14 | C15 | H11 | 119.4° | 119.8° |
C15 | C14 | H12 | 119.5° | 120.0° |
C17 | C19 | C18 | 120.8° | 119.5° |
C17 | C19 | N11 | 131.6° | 133.5° |
C19 | C17 | H10 | 118.9° | 120.2° |
C14 | C18 | C19 | 119.6° | 120.0° |
C14 | C18 | C13 | 132.5° | 133.7° |
C18 | C14 | H12 | 119.6° | 120.0° |
C18 | C19 | N11 | 107.6° | 107.0° |
C19 | C18 | C13 | 107.8° | 106.3° |
C19 | N11 | N12 | 108.5° | 109.3° |
C19 | N11 | H13 | 125.8° | 125.4° |
C18 | C13 | N12 | 108.5° | 107.5° |
C18 | C13 | C02 | 125.9° | 126.2° |
N11 | N12 | C13 | 107.5° | 110.0° |
N12 | N11 | H13 | 125.7° | 125.3° |
N12 | C13 | C02 | 125.3° | 126.3° |
C13 | C02 | N01 | 123.3° | 125.1° |
C13 | C02 | N03 | 127.5° | 125.1° |
C02 | N01 | C09 | 108.1° | 109.6° |
N01 | C02 | N03 | 108.8° | 109.8° |
N01 | C09 | C07 | 130.2° | 133.3° |
N01 | C09 | C08 | 107.7° | 107.2° |
C02 | N03 | C08 | 107.3° | 107.2° |
C02 | N03 | H14 | 126.4° | 126.4° |
C07 | C09 | C08 | 122.1° | 119.4° |
C09 | C07 | C06 | 120.4° | 119.8° |
C09 | C07 | H18 | 119.8° | 120.1° |
C09 | C08 | N03 | 108.1° | 106.2° |
C09 | C08 | C04 | 119.9° | 119.9° |
C07 | C06 | C05 | 117.2° | 120.6° |
C07 | C06 | H17 | 121.4° | 119.7° |
C06 | C07 | H18 | 119.8° | 120.2° |
N03 | C08 | C04 | 131.9° | 133.8° |
C08 | N03 | H14 | 126.3° | 126.4° |
C08 | C04 | C05 | 121.4° | 119.8° |
C08 | C04 | H15 | 119.3° | 120.1° |
C06 | C05 | C04 | 118.9° | 120.4° |
C06 | C05 | H16 | 120.5° | 119.8° |
C05 | C06 | H17 | 121.4° | 119.7° |
C05 | C04 | H15 | 119.3° | 120.1° |
C04 | C05 | H16 | 120.5° | 119.8° |
H6 | C26 | H7 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OB | CA | C26 | NB | 178.3° | 179.7° |
OB | CA | NB | C28 | 3.6° | 5.1° |
OB | CA | C26 | C21 | 131.4° | 0.3° |
OB | CA | NB | H5 | 176.4° | 175.0° |
OB | CA | C26 | H6 | 109.1° | 119.7° |
OB | CA | C26 | H7 | 12.0° | 120.3° |
C33 | C32 | C31 | H3 | 180.0° | 179.8° |
C32 | C33 | C28 | H4 | 180.0° | 179.8° |
C33 | C32 | C31 | C30 | 0.4° | 0.0° |
C32 | C33 | C28 | NB | 178.2° | 180.0° |
C32 | C33 | C28 | C29 | 0.7° | 0.5° |
C33 | C32 | C31 | H2 | 179.7° | 180.0° |
C31 | C32 | C33 | C28 | 0.2° | 0.2° |
C32 | C31 | C30 | H2 | 180.0° | 180.0° |
C32 | C31 | C30 | C29 | 0.5° | 0.0° |
C32 | C31 | C30 | FA | 179.3° | 180.0° |
C31 | C32 | C33 | H4 | 179.8° | 180.0° |
C33 | C28 | NB | CA | 11.9° | 146.8° |
C33 | C28 | NB | C29 | 179.0° | 179.5° |
C33 | C28 | C29 | C30 | 0.6° | 0.5° |
C33 | C28 | C29 | H1 | 179.4° | 179.7° |
C28 | C33 | C32 | H3 | 179.8° | 180.0° |
C33 | C28 | NB | H5 | 168.1° | 33.3° |
C31 | C30 | C29 | C28 | 0.0° | 0.3° |
C31 | C30 | C29 | FA | 179.7° | 180.0° |
C31 | C30 | C29 | H1 | 180.0° | 179.9° |
C30 | C31 | C32 | H3 | 179.6° | 179.8° |
C26 | CA | NB | C28 | 174.8° | 174.6° |
CA | C26 | C21 | H6 | 119.5° | 120.0° |
CA | C26 | C21 | H7 | 119.5° | 120.0° |
CA | C26 | C21 | C25 | 154.2° | 85.0° |
CA | C26 | C21 | N22 | 25.9° | 95.3° |
C26 | CA | NB | H5 | 5.2° | 5.4° |
CA | C26 | H6 | H7 | 121.6° | 120.0° |
CA | NB | C28 | H5 | 180.0° | 180.0° |
CA | NB | C28 | C29 | 167.1° | 33.8° |
NB | CA | C26 | C21 | 47.0° | 180.0° |
NB | CA | C26 | H6 | 72.5° | 60.0° |
NB | CA | C26 | H7 | 166.4° | 60.0° |
NB | C28 | C29 | C30 | 178.4° | 180.0° |
NB | C28 | C29 | H1 | 1.6° | 0.2° |
NB | C28 | C33 | H4 | 1.8° | 0.2° |
C28 | C29 | C30 | H1 | 180.0° | 179.8° |
C28 | C29 | C30 | FA | 179.8° | 179.7° |
C29 | C28 | C33 | H4 | 179.3° | 179.7° |
C29 | C28 | NB | H5 | 12.9° | 146.2° |
C26 | C21 | C25 | N22 | 179.8° | 179.8° |
C26 | C21 | C25 | C24 | 177.4° | 180.0° |
C26 | C21 | N22 | N23 | 179.9° | 180.0° |
C21 | C26 | H6 | H7 | 121.6° | 119.9° |
C26 | C21 | C25 | H8 | 2.6° | 0.0° |
C26 | C21 | N22 | H9 | 0.1° | 0.0° |
C29 | C30 | C31 | H2 | 179.6° | 180.0° |
FA | C30 | C29 | H1 | 0.2° | 0.0° |
FA | C30 | C31 | H2 | 0.7° | 0.0° |
C21 | C25 | C24 | H8 | 180.0° | 180.0° |
C25 | C21 | N22 | N23 | 0.2° | 0.3° |
C21 | C25 | C24 | N23 | 3.9° | 0.1° |
C21 | C25 | C24 | C16 | 175.8° | 180.0° |
C25 | C21 | C26 | H6 | 86.3° | 35.1° |
C25 | C21 | C26 | H7 | 34.8° | 155.0° |
C25 | C21 | N22 | H9 | 179.8° | 179.8° |
N22 | C21 | C25 | C24 | 2.7° | 0.2° |
C21 | N22 | N23 | H9 | 180.0° | 180.0° |
C21 | N22 | N23 | C24 | 2.6° | 0.2° |
N22 | C21 | C26 | H6 | 93.5° | 144.7° |
N22 | C21 | C26 | H7 | 145.4° | 24.8° |
N22 | C21 | C25 | H8 | 177.3° | 179.8° |
C25 | C24 | N23 | N22 | 4.4° | 0.0° |
C25 | C24 | N23 | C16 | 173.1° | 179.9° |
C25 | C24 | C16 | C15 | 15.2° | 5.0° |
C25 | C24 | C16 | C17 | 168.9° | 174.7° |
N22 | N23 | C24 | C16 | 177.5° | 179.9° |
N23 | C24 | C16 | C15 | 155.8° | 174.8° |
N23 | C24 | C16 | C17 | 20.1° | 5.4° |
N23 | C24 | C25 | H8 | 176.1° | 179.9° |
C24 | N23 | N22 | H9 | 177.4° | 179.9° |
C24 | C16 | C15 | C17 | 176.2° | 179.7° |
C24 | C16 | C15 | C14 | 175.4° | 179.9° |
C24 | C16 | C17 | C19 | 175.2° | 180.0° |
C16 | C24 | C25 | H8 | 4.2° | 0.0° |
C24 | C16 | C17 | H10 | 4.8° | 0.0° |
C24 | C16 | C15 | H11 | 4.6° | 0.0° |
C16 | C15 | C14 | H11 | 180.0° | 179.9° |
C15 | C16 | C17 | C19 | 1.0° | 0.3° |
C16 | C15 | C14 | C18 | 0.3° | 0.0° |
C15 | C16 | C17 | H10 | 179.0° | 179.7° |
C16 | C15 | C14 | H12 | 179.7° | 179.9° |
C17 | C16 | C15 | C14 | 0.8° | 0.2° |
C16 | C17 | C19 | H10 | 180.0° | 180.0° |
C16 | C17 | C19 | C18 | 0.2° | 0.0° |
C16 | C17 | C19 | N11 | 178.3° | 179.9° |
C17 | C16 | C15 | H11 | 179.2° | 179.7° |
C15 | C14 | C18 | H12 | 180.0° | 180.0° |
C15 | C14 | C18 | C19 | 1.1° | 0.3° |
C15 | C14 | C18 | C13 | 177.5° | 180.0° |
C17 | C19 | C18 | C14 | 0.9° | 0.2° |
C17 | C19 | C18 | N11 | 178.8° | 179.9° |
C17 | C19 | C18 | C13 | 178.0° | 179.9° |
C17 | C19 | N11 | N12 | 179.8° | 179.9° |
C17 | C19 | N11 | H13 | 0.2° | 0.1° |
C14 | C18 | C19 | C13 | 177.2° | 179.8° |
C14 | C18 | C19 | N11 | 179.7° | 179.7° |
C14 | C18 | C13 | N12 | 179.8° | 179.6° |
C14 | C18 | C13 | C02 | 5.8° | 0.0° |
C18 | C14 | C15 | H11 | 179.7° | 180.0° |
C18 | C19 | N11 | N12 | 1.5° | 0.1° |
C19 | C18 | C13 | N12 | 3.6° | 0.2° |
C19 | C18 | C13 | C02 | 177.6° | 179.8° |
C18 | C19 | C17 | H10 | 179.8° | 180.0° |
C19 | C18 | C14 | H12 | 178.9° | 179.7° |
C18 | C19 | N11 | H13 | 178.5° | 180.0° |
N11 | C19 | C18 | C13 | 3.1° | 0.2° |
C19 | N11 | N12 | H13 | 180.0° | 179.9° |
C19 | N11 | N12 | C13 | 0.7° | 0.1° |
N11 | C19 | C17 | H10 | 1.7° | 0.1° |
C18 | C13 | N12 | N11 | 2.6° | 0.2° |
C18 | C13 | N12 | C02 | 174.0° | 179.6° |
C18 | C13 | C02 | N01 | 2.2° | 0.3° |
C18 | C13 | C02 | N03 | 169.5° | 180.0° |
C13 | C18 | C14 | H12 | 2.5° | 0.1° |
N11 | N12 | C13 | C02 | 176.6° | 179.7° |
N12 | C13 | C02 | N01 | 175.2° | 179.2° |
N12 | C13 | C02 | N03 | 3.5° | 0.5° |
C13 | N12 | N11 | H13 | 179.4° | 179.8° |
C13 | C02 | N01 | N03 | 173.0° | 179.7° |
C13 | C02 | N01 | C09 | 176.1° | 179.9° |
C13 | C02 | N03 | C08 | 175.9° | 180.0° |
C13 | C02 | N03 | H14 | 4.1° | 0.0° |
C02 | N01 | C09 | C07 | 177.2° | 179.9° |
C02 | N01 | C09 | C08 | 1.7° | 0.4° |
N01 | C02 | N03 | C08 | 3.3° | 0.3° |
N01 | C02 | N03 | H14 | 176.7° | 179.7° |
C09 | N01 | C02 | N03 | 3.1° | 0.4° |
N01 | C09 | C07 | C08 | 178.7° | 179.7° |
N01 | C09 | C07 | C06 | 178.9° | 179.7° |
N01 | C09 | C08 | N03 | 0.3° | 0.2° |
N01 | C09 | C08 | C04 | 179.9° | 179.8° |
N01 | C09 | C07 | H18 | 1.1° | 0.4° |
C02 | N03 | C08 | C09 | 2.2° | 0.0° |
C02 | N03 | C08 | H14 | 180.0° | 180.0° |
C02 | N03 | C08 | C04 | 178.1° | 180.0° |
C09 | C07 | C06 | H18 | 180.0° | 180.0° |
C07 | C09 | C08 | N03 | 179.3° | 180.0° |
C07 | C09 | C08 | C04 | 0.9° | 0.0° |
C09 | C07 | C06 | C05 | 1.1° | 0.0° |
C09 | C07 | C06 | H17 | 178.9° | 180.0° |
C08 | C09 | C07 | C06 | 2.4° | 0.0° |
C09 | C08 | N03 | C04 | 179.7° | 180.0° |
C09 | C08 | C04 | C05 | 1.7° | 0.0° |
C09 | C08 | N03 | H14 | 177.8° | 180.0° |
C09 | C08 | C04 | H15 | 178.3° | 180.0° |
C08 | C09 | C07 | H18 | 177.6° | 180.0° |
C07 | C06 | C05 | H17 | 180.0° | 179.9° |
C07 | C06 | C05 | C04 | 1.3° | 0.0° |
C07 | C06 | C05 | H16 | 178.7° | 180.0° |
N03 | C08 | C04 | C05 | 178.0° | 180.0° |
N03 | C08 | C04 | H15 | 2.0° | 0.0° |
C08 | C04 | C05 | C06 | 2.8° | 0.0° |
C08 | C04 | C05 | H15 | 180.0° | 180.0° |
C04 | C08 | N03 | H14 | 1.9° | 0.0° |
C08 | C04 | C05 | H16 | 177.2° | 180.0° |
C06 | C05 | C04 | H16 | 180.0° | 180.0° |
C06 | C05 | C04 | H15 | 177.1° | 180.0° |
C05 | C06 | C07 | H18 | 178.9° | 179.9° |
C04 | C05 | C06 | H17 | 178.6° | 179.9° |
H2 | C31 | C32 | H3 | 0.4° | 0.2° |
H3 | C32 | C33 | H4 | 0.2° | 0.2° |
H11 | C15 | C14 | H12 | 0.3° | 0.0° |
H15 | C04 | C05 | H16 | 2.9° | 0.0° |
H16 | C05 | C06 | H17 | 1.4° | 0.1° |
H17 | C06 | C07 | H18 | 1.1° | 0.0° |