5D9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O15 | sing | 1.45Å | 1.43Å | |
| O14 | C13 | doub | 1.22Å | 1.22Å | |
| O15 | C13 | sing | 1.35Å | 1.45Å | |
| C7 | C5 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | sing | 1.47Å | 1.49Å | |
| C12 | N2 | sing | 1.33Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.41Å | Aromatic |
| N2 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C5 | O9 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C3 | doub | 1.36Å | 1.46Å | Aromatic |
| C11 | S1 | sing | 1.71Å | 1.74Å | Aromatic |
| O9 | C6 | sing | 1.34Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.48Å | 1.48Å | |
| C8 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C3 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C14 | N | sing | 1.47Å | 1.45Å | |
| C6 | N1 | doub | 1.31Å | 1.36Å | Aromatic |
| C6 | C2 | sing | 1.48Å | 1.49Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N3 | C2 | sing | 1.33Å | 1.36Å | Aromatic |
| N3 | C4 | doub | 1.29Å | 1.34Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.40Å | Aromatic |
| CA | C4 | sing | 1.51Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| C4 | S5 | sing | 1.71Å | 1.75Å | Aromatic |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| C1 | S5 | sing | 1.76Å | 1.74Å | Aromatic |
| CD | NE | sing | 1.47Å | 1.46Å | |
| NE | CZ | sing | 1.38Å | 1.27Å | |
| NH2 | CZ | doub | 1.30Å | 1.33Å | |
| CZ | NH1 | sing | 1.38Å | 1.34Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CG | H16 | sing | 1.09Å | 1.10Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CD | H18 | sing | 1.09Å | 1.10Å | |
| CD | H19 | sing | 1.09Å | 1.10Å | |
| NE | H20 | sing | 0.97Å | 1.00Å | |
| NH2 | H21 | sing | 0.97Å | 1.00Å | |
| NH1 | H22 | sing | 0.97Å | 1.00Å | |
| NH1 | H23 | sing | 0.97Å | 1.00Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | O15 | 110.0° | 109.4° |
| C10 | C9 | H1 | 109.3° | 109.4° |
| C10 | C9 | H2 | 109.3° | 109.4° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| C9 | O15 | C13 | 120.7° | 117.0° |
| O15 | C9 | H1 | 109.4° | 109.4° |
| O15 | C9 | H2 | 109.4° | 109.5° |
| O14 | C13 | O15 | 119.8° | 120.0° |
| O14 | C13 | C12 | 119.7° | 120.0° |
| O15 | C13 | C12 | 120.5° | 120.0° |
| C7 | C5 | O9 | 118.4° | 126.4° |
| C7 | C5 | C3 | 135.8° | 126.5° |
| C5 | C7 | H7 | 109.5° | 109.5° |
| C5 | C7 | H8 | 109.5° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.4° |
| C13 | C12 | N2 | 120.9° | 122.4° |
| C13 | C12 | C11 | 124.5° | 122.5° |
| N2 | C12 | C11 | 114.7° | 115.1° |
| C12 | N2 | C8 | 111.7° | 115.8° |
| C12 | C11 | S1 | 108.7° | 109.2° |
| C12 | C11 | H6 | 125.6° | 125.4° |
| N2 | C8 | C3 | 123.9° | 125.3° |
| N2 | C8 | S1 | 114.2° | 109.4° |
| O9 | C5 | C3 | 105.8° | 107.1° |
| C5 | O9 | C6 | 103.4° | 108.0° |
| C5 | C3 | C8 | 122.3° | 126.3° |
| C5 | C3 | N1 | 112.2° | 107.5° |
| C11 | S1 | C8 | 90.7° | 90.6° |
| S1 | C11 | H6 | 125.7° | 125.4° |
| O9 | C6 | N1 | 117.8° | 108.9° |
| O9 | C6 | C2 | 118.9° | 125.6° |
| C3 | C8 | S1 | 121.9° | 125.3° |
| C8 | C3 | N1 | 125.5° | 126.2° |
| C3 | N1 | C6 | 100.8° | 108.6° |
| C14 | N | CA | 119.2° | 111.0° |
| C14 | N | H12 | 107.0° | 111.0° |
| N | C14 | H24 | 109.5° | 109.5° |
| N | C14 | H25 | 109.5° | 109.5° |
| N | C14 | H26 | 109.4° | 109.5° |
| N1 | C6 | C2 | 123.1° | 125.6° |
| C6 | C2 | N3 | 115.8° | 123.1° |
| C6 | C2 | C1 | 123.1° | 123.0° |
| N | CA | C4 | 106.4° | 109.5° |
| N | CA | CB | 113.3° | 109.4° |
| N | CA | H11 | 108.4° | 109.4° |
| CA | N | H12 | 107.0° | 111.0° |
| C2 | N3 | C4 | 110.7° | 117.2° |
| N3 | C2 | C1 | 121.0° | 113.9° |
| N3 | C4 | CA | 129.7° | 124.7° |
| N3 | C4 | S5 | 110.5° | 110.6° |
| C2 | C1 | S5 | 103.3° | 107.8° |
| C2 | C1 | H10 | 128.4° | 126.1° |
| C4 | CA | CB | 113.1° | 109.5° |
| CA | C4 | S5 | 119.8° | 124.7° |
| C4 | CA | H11 | 108.1° | 109.5° |
| CA | CB | CG | 115.1° | 109.5° |
| CB | CA | H11 | 107.4° | 109.5° |
| CA | CB | H14 | 108.1° | 109.5° |
| CA | CB | H15 | 108.0° | 109.5° |
| C4 | S5 | C1 | 94.5° | 90.5° |
| CB | CG | CD | 110.4° | 109.4° |
| CG | CB | H14 | 108.0° | 109.5° |
| CG | CB | H15 | 108.0° | 109.5° |
| CB | CG | H16 | 109.2° | 109.5° |
| CB | CG | H17 | 109.2° | 109.5° |
| CG | CD | NE | 107.4° | 109.4° |
| CD | CG | H16 | 109.2° | 109.5° |
| CD | CG | H17 | 109.2° | 109.5° |
| CG | CD | H18 | 110.0° | 109.5° |
| CG | CD | H19 | 110.0° | 109.5° |
| S5 | C1 | H10 | 128.4° | 126.1° |
| CD | NE | CZ | 127.7° | 120.0° |
| NE | CD | H18 | 110.0° | 109.5° |
| NE | CD | H19 | 110.0° | 109.4° |
| CD | NE | H20 | 116.2° | 120.0° |
| NE | CZ | NH2 | 120.2° | 120.0° |
| NE | CZ | NH1 | 121.1° | 120.0° |
| CZ | NE | H20 | 116.1° | 120.0° |
| NH2 | CZ | NH1 | 118.7° | 120.0° |
| CZ | NH2 | H21 | 112.0° | 120.0° |
| CZ | NH1 | H22 | 120.0° | 120.0° |
| CZ | NH1 | H23 | 120.0° | 120.0° |
| H1 | C9 | H2 | 109.5° | 109.6° |
| H3 | C10 | H4 | 109.4° | 109.4° |
| H3 | C10 | H5 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H7 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H14 | CB | H15 | 109.5° | 109.4° |
| H16 | CG | H17 | 109.4° | 109.5° |
| H18 | CD | H19 | 109.5° | 109.5° |
| H22 | NH1 | H23 | 120.0° | 120.0° |
| H24 | C14 | H25 | 109.4° | 109.4° |
| H24 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | O15 | H1 | 120.1° | 119.9° |
| C10 | C9 | O15 | H2 | 120.1° | 120.0° |
| C10 | C9 | O15 | C13 | 87.9° | 180.0° |
| C10 | C9 | H1 | H2 | 119.7° | 120.0° |
| C9 | C10 | H3 | H4 | 120.0° | 120.0° |
| C9 | C10 | H3 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| C9 | O15 | C13 | O14 | 5.1° | 0.1° |
| C9 | O15 | C13 | C12 | 174.2° | 179.7° |
| O15 | C9 | H1 | H2 | 119.8° | 120.1° |
| O15 | C9 | C10 | H3 | 180.0° | 60.0° |
| O15 | C9 | C10 | H4 | 60.0° | 180.0° |
| O15 | C9 | C10 | H5 | 60.0° | 60.0° |
| O14 | C13 | O15 | C12 | 179.4° | 179.8° |
| O14 | C13 | C12 | N2 | 1.8° | 180.0° |
| O14 | C13 | C12 | C11 | 177.7° | 0.3° |
| O15 | C13 | C12 | N2 | 178.9° | 0.2° |
| O15 | C13 | C12 | C11 | 1.7° | 180.0° |
| C13 | O15 | C9 | H1 | 152.0° | 60.1° |
| C13 | O15 | C9 | H2 | 32.2° | 60.0° |
| C7 | C5 | O9 | C3 | 179.6° | 180.0° |
| C7 | C5 | O9 | C6 | 179.0° | 180.0° |
| C7 | C5 | C3 | C8 | 1.2° | 0.0° |
| C7 | C5 | C3 | N1 | 179.8° | 179.8° |
| C5 | C7 | H7 | H8 | 120.0° | 120.0° |
| C5 | C7 | H7 | H9 | 120.0° | 120.0° |
| C5 | C7 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | N2 | C11 | 179.5° | 179.8° |
| C13 | C12 | N2 | C8 | 179.2° | 179.8° |
| C13 | C12 | C11 | S1 | 179.6° | 180.0° |
| C13 | C12 | C11 | H6 | 0.4° | 0.0° |
| N2 | C12 | C11 | S1 | 0.1° | 0.2° |
| C12 | N2 | C8 | C3 | 179.0° | 179.8° |
| C12 | N2 | C8 | S1 | 0.5° | 0.4° |
| N2 | C12 | C11 | H6 | 179.9° | 179.8° |
| C11 | C12 | N2 | C8 | 0.3° | 0.5° |
| C12 | C11 | S1 | H6 | 180.0° | 180.0° |
| C12 | C11 | S1 | C8 | 0.3° | 0.0° |
| N2 | C8 | C3 | C5 | 24.5° | 179.4° |
| N2 | C8 | S1 | C11 | 0.5° | 0.2° |
| N2 | C8 | C3 | S1 | 178.4° | 179.7° |
| N2 | C8 | C3 | N1 | 157.2° | 0.3° |
| O9 | C5 | C3 | C8 | 179.2° | 180.0° |
| O9 | C5 | C3 | N1 | 0.7° | 0.2° |
| C5 | O9 | C6 | N1 | 1.8° | 0.2° |
| C5 | O9 | C6 | C2 | 177.5° | 180.0° |
| O9 | C5 | C7 | H7 | 0.0° | 0.0° |
| O9 | C5 | C7 | H8 | 120.0° | 120.0° |
| O9 | C5 | C7 | H9 | 120.0° | 120.0° |
| C3 | C5 | O9 | C6 | 0.6° | 0.0° |
| C5 | C3 | C8 | N1 | 178.4° | 179.7° |
| C5 | C3 | C8 | S1 | 153.9° | 0.3° |
| C5 | C3 | N1 | C6 | 1.6° | 0.3° |
| C3 | C5 | C7 | H7 | 179.5° | 180.0° |
| C3 | C5 | C7 | H8 | 60.5° | 60.0° |
| C3 | C5 | C7 | H9 | 59.5° | 60.0° |
| C11 | S1 | C8 | C3 | 179.0° | 180.0° |
| O9 | C6 | N1 | C3 | 2.1° | 0.3° |
| O9 | C6 | N1 | C2 | 175.5° | 179.8° |
| O9 | C6 | C2 | N3 | 4.4° | 0.3° |
| O9 | C6 | C2 | C1 | 179.7° | 180.0° |
| C8 | C3 | N1 | C6 | 179.9° | 179.9° |
| S1 | C8 | C3 | N1 | 24.5° | 180.0° |
| C8 | S1 | C11 | H6 | 179.6° | 180.0° |
| C3 | N1 | C6 | C2 | 177.7° | 179.9° |
| C14 | N | CA | H12 | 121.4° | 124.0° |
| C14 | N | CA | C4 | 157.2° | 86.3° |
| C14 | N | CA | CB | 77.9° | 153.7° |
| C14 | N | CA | H11 | 41.1° | 33.7° |
| N | C14 | H24 | H25 | 120.0° | 120.0° |
| N | C14 | H24 | H26 | 120.0° | 120.0° |
| N | C14 | H25 | H26 | 120.0° | 120.0° |
| N1 | C6 | C2 | N3 | 171.1° | 179.5° |
| N1 | C6 | C2 | C1 | 4.8° | 0.2° |
| C6 | C2 | N3 | C1 | 176.0° | 179.7° |
| C6 | C2 | N3 | C4 | 178.3° | 180.0° |
| C6 | C2 | C1 | S5 | 177.4° | 179.9° |
| C6 | C2 | C1 | H10 | 2.5° | 0.0° |
| N | CA | C4 | N3 | 2.9° | 135.3° |
| N | CA | C4 | CB | 125.0° | 120.0° |
| N | CA | C4 | H11 | 116.2° | 120.0° |
| N | CA | CB | H11 | 119.7° | 119.9° |
| N | CA | C4 | S5 | 175.8° | 44.7° |
| N | CA | CB | CG | 67.6° | 65.0° |
| N | CA | CB | H14 | 171.5° | 55.0° |
| N | CA | CB | H15 | 53.2° | 175.0° |
| CA | N | C14 | H24 | 180.0° | 175.4° |
| CA | N | C14 | H25 | 60.0° | 55.4° |
| CA | N | C14 | H26 | 60.0° | 64.6° |
| C2 | N3 | C4 | CA | 179.6° | 180.0° |
| C2 | N3 | C4 | S5 | 1.5° | 0.0° |
| N3 | C2 | C1 | S5 | 1.7° | 0.4° |
| N3 | C2 | C1 | H10 | 178.3° | 179.7° |
| C4 | N3 | C2 | C1 | 2.2° | 0.2° |
| N3 | C4 | CA | S5 | 178.8° | 179.9° |
| N3 | C4 | CA | CB | 122.0° | 104.7° |
| N3 | C4 | S5 | C1 | 0.6° | 0.2° |
| N3 | C4 | CA | H11 | 119.2° | 15.3° |
| C2 | C1 | S5 | C4 | 0.6° | 0.3° |
| C2 | C1 | S5 | H10 | 180.0° | 179.9° |
| C4 | CA | CB | H11 | 119.2° | 120.1° |
| C4 | CA | CB | CG | 53.5° | 175.0° |
| CA | C4 | S5 | C1 | 179.5° | 179.9° |
| C4 | CA | N | H12 | 81.5° | 149.7° |
| C4 | CA | CB | H14 | 67.3° | 65.0° |
| C4 | CA | CB | H15 | 174.4° | 55.0° |
| CB | CA | C4 | S5 | 59.2° | 75.3° |
| CA | CB | CG | H14 | 120.8° | 120.0° |
| CA | CB | CG | H15 | 120.8° | 120.0° |
| CA | CB | CG | CD | 145.0° | 180.0° |
| CB | CA | N | H12 | 43.4° | 29.7° |
| CA | CB | H14 | H15 | 117.4° | 120.0° |
| CA | CB | CG | H16 | 24.9° | 60.0° |
| CA | CB | CG | H17 | 94.8° | 60.0° |
| C4 | S5 | C1 | H10 | 179.4° | 179.8° |
| S5 | C4 | CA | H11 | 59.6° | 164.7° |
| CB | CG | CD | H16 | 120.1° | 120.0° |
| CB | CG | CD | H17 | 120.2° | 120.0° |
| CB | CG | CD | NE | 168.1° | 180.0° |
| CG | CB | CA | H11 | 172.7° | 55.0° |
| CG | CB | H14 | H15 | 117.4° | 120.0° |
| CB | CG | H16 | H17 | 119.6° | 120.0° |
| CB | CG | CD | H18 | 48.5° | 60.0° |
| CB | CG | CD | H19 | 72.2° | 60.0° |
| CG | CD | NE | H18 | 119.7° | 120.0° |
| CG | CD | NE | H19 | 119.7° | 120.0° |
| CG | CD | NE | CZ | 87.2° | 180.0° |
| CD | CG | CB | H14 | 94.1° | 60.0° |
| CD | CG | CB | H15 | 24.2° | 60.0° |
| CD | CG | H16 | H17 | 119.6° | 120.0° |
| CG | CD | H18 | H19 | 121.0° | 120.0° |
| CG | CD | NE | H20 | 92.8° | 0.1° |
| CD | NE | CZ | H20 | 180.0° | 179.9° |
| CD | NE | CZ | NH2 | 179.7° | 0.1° |
| CD | NE | CZ | NH1 | 0.3° | 180.0° |
| NE | CD | CG | H16 | 71.7° | 60.0° |
| NE | CD | CG | H17 | 48.0° | 60.1° |
| NE | CD | H18 | H19 | 121.0° | 120.0° |
| NE | CZ | NH2 | NH1 | 179.4° | 179.9° |
| CZ | NE | CD | H18 | 32.5° | 60.0° |
| CZ | NE | CD | H19 | 153.1° | 60.1° |
| NE | CZ | NH2 | H21 | 179.5° | 180.0° |
| NE | CZ | NH1 | H22 | 179.4° | 0.0° |
| NE | CZ | NH1 | H23 | 0.6° | 180.0° |
| NH2 | CZ | NE | H20 | 0.3° | 180.0° |
| NH2 | CZ | NH1 | H22 | 0.0° | 180.0° |
| NH2 | CZ | NH1 | H23 | 180.0° | 0.0° |
| NH1 | CZ | NE | H20 | 179.7° | 0.1° |
| NH1 | CZ | NH2 | H21 | 0.0° | 0.1° |
| CZ | NH1 | H22 | H23 | 180.0° | 180.0° |
| H1 | C9 | C10 | H3 | 59.9° | 59.9° |
| H1 | C9 | C10 | H4 | 60.1° | 60.1° |
| H1 | C9 | C10 | H5 | 179.9° | 179.9° |
| H2 | C9 | C10 | H3 | 60.0° | 180.0° |
| H2 | C9 | C10 | H4 | 179.9° | 60.0° |
| H2 | C9 | C10 | H5 | 60.1° | 60.0° |
| H3 | C10 | H4 | H5 | 120.0° | 119.9° |
| H7 | C7 | H8 | H9 | 120.0° | 120.0° |
| H11 | CA | N | H12 | 162.5° | 90.3° |
| H11 | CA | CB | H14 | 51.9° | 175.0° |
| H11 | CA | CB | H15 | 66.5° | 65.1° |
| H12 | N | C14 | H24 | 58.6° | 51.4° |
| H12 | N | C14 | H25 | 61.4° | 68.6° |
| H12 | N | C14 | H26 | 178.6° | 171.4° |
| H14 | CB | CG | H16 | 145.7° | 180.0° |
| H14 | CB | CG | H17 | 26.0° | 60.0° |
| H15 | CB | CG | H16 | 96.0° | 60.0° |
| H15 | CB | CG | H17 | 144.3° | 180.0° |
| H16 | CG | CD | H18 | 168.6° | 180.0° |
| H16 | CG | CD | H19 | 48.0° | 59.9° |
| H17 | CG | CD | H18 | 71.7° | 59.9° |
| H17 | CG | CD | H19 | 167.6° | 180.0° |
| H18 | CD | NE | H20 | 147.5° | 119.9° |
| H19 | CD | NE | H20 | 26.9° | 120.1° |
| H24 | C14 | H25 | H26 | 120.0° | 120.0° |
