AWX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C25 | sing | 1.51Å | 1.50Å | |
| O22 | C18 | doub | 1.22Å | 1.20Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| N19 | C18 | sing | 1.35Å | 1.33Å | |
| N19 | N20 | sing | 1.39Å | 1.41Å | |
| C18 | C16 | sing | 1.47Å | 1.42Å | |
| N20 | C21 | doub | 1.31Å | 1.34Å | |
| C16 | N17 | doub | 1.31Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.46Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.48Å | Aromatic |
| C25 | C26 | sing | 1.46Å | 1.50Å | Aromatic |
| C21 | C15 | sing | 1.46Å | 1.44Å | |
| C21 | N23 | sing | 1.39Å | 1.41Å | |
| N17 | N13 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.44Å | Aromatic |
| C14 | N13 | sing | 1.37Å | 1.32Å | Aromatic |
| C14 | C24 | sing | 1.47Å | 1.44Å | |
| N13 | C10 | sing | 1.40Å | 1.33Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | N5 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | O28 | sing | 1.35Å | 1.35Å | Aromatic |
| C30 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.37Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.49Å | Aromatic |
| N5 | C3 | sing | 1.35Å | 1.34Å | |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | C34 | sing | 1.51Å | 1.49Å | |
| C31 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| O28 | C27 | sing | 1.35Å | 1.34Å | Aromatic |
| C27 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | O4 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.47Å | 1.52Å | |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.33Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N19 | H13 | sing | 0.97Å | 1.00Å | |
| N23 | H14 | sing | 0.97Å | 1.00Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C25 | C24 | 134.3° | 126.9° |
| C29 | C25 | C26 | 122.8° | 127.0° |
| C25 | C29 | H16 | 109.5° | 109.5° |
| C25 | C29 | H17 | 109.5° | 109.5° |
| C25 | C29 | H18 | 109.4° | 109.5° |
| O22 | C18 | N19 | 120.8° | 120.5° |
| O22 | C18 | C16 | 116.1° | 120.6° |
| C11 | C12 | C7 | 118.7° | 120.1° |
| C12 | C11 | C10 | 122.7° | 120.0° |
| C12 | C11 | H11 | 118.7° | 120.0° |
| C11 | C12 | H12 | 120.6° | 120.0° |
| C12 | C7 | C6 | 118.4° | 119.9° |
| C12 | C7 | C8 | 118.6° | 120.1° |
| C7 | C12 | H12 | 120.7° | 119.9° |
| C11 | C10 | N13 | 116.6° | 120.1° |
| C11 | C10 | C9 | 116.5° | 119.8° |
| C10 | C11 | H11 | 118.7° | 120.0° |
| C18 | N19 | N20 | 123.5° | 122.6° |
| N19 | C18 | C16 | 123.0° | 118.8° |
| C18 | N19 | H13 | 118.2° | 118.7° |
| N19 | N20 | C21 | 117.1° | 123.3° |
| N20 | N19 | H13 | 118.3° | 118.7° |
| C18 | C16 | N17 | 133.6° | 135.2° |
| C18 | C16 | C15 | 114.4° | 117.4° |
| N20 | C21 | C15 | 122.8° | 119.8° |
| N20 | C21 | N23 | 118.3° | 120.1° |
| N17 | C16 | C15 | 112.0° | 107.5° |
| C16 | N17 | N13 | 105.4° | 109.3° |
| C16 | C15 | C21 | 119.1° | 118.1° |
| C16 | C15 | C14 | 101.1° | 106.5° |
| C24 | C25 | C26 | 102.9° | 106.1° |
| C25 | C24 | C14 | 127.6° | 125.1° |
| C25 | C24 | O28 | 114.3° | 109.7° |
| C25 | C26 | C30 | 137.9° | 134.2° |
| C25 | C26 | C27 | 102.2° | 105.7° |
| C15 | C21 | N23 | 118.8° | 120.1° |
| C21 | C15 | C14 | 139.8° | 135.4° |
| C21 | N23 | H14 | 120.0° | 119.9° |
| C21 | N23 | H15 | 120.0° | 120.0° |
| N17 | N13 | C14 | 111.0° | 109.5° |
| N17 | N13 | C10 | 120.1° | 125.3° |
| C15 | C14 | N13 | 110.0° | 107.3° |
| C15 | C14 | C24 | 121.8° | 126.3° |
| N13 | C14 | C24 | 127.6° | 126.4° |
| C14 | N13 | C10 | 127.5° | 125.3° |
| C14 | C24 | O28 | 118.1° | 125.2° |
| N13 | C10 | C9 | 126.8° | 120.1° |
| C7 | C6 | N5 | 114.2° | 109.5° |
| C6 | C7 | C8 | 123.0° | 119.9° |
| C7 | C6 | H7 | 108.3° | 109.5° |
| C7 | C6 | H8 | 108.3° | 109.5° |
| C6 | N5 | C3 | 122.4° | 120.0° |
| C6 | N5 | H6 | 118.8° | 120.0° |
| N5 | C6 | H7 | 108.3° | 109.4° |
| N5 | C6 | H8 | 108.3° | 109.5° |
| C10 | C9 | C8 | 122.6° | 120.0° |
| C10 | C9 | H10 | 118.7° | 120.0° |
| C7 | C8 | C9 | 120.9° | 120.0° |
| C7 | C8 | H9 | 119.6° | 120.0° |
| C24 | O28 | C27 | 105.4° | 110.9° |
| C26 | C30 | C31 | 117.4° | 119.7° |
| C30 | C26 | C27 | 119.9° | 120.1° |
| C26 | C30 | H19 | 121.3° | 120.1° |
| C30 | C31 | C34 | 121.6° | 119.8° |
| C30 | C31 | C32 | 122.5° | 120.5° |
| C31 | C30 | H19 | 121.3° | 120.2° |
| C26 | C27 | O28 | 115.1° | 107.6° |
| C26 | C27 | C33 | 119.2° | 119.2° |
| N5 | C3 | O4 | 124.0° | 120.0° |
| N5 | C3 | C2 | 116.4° | 120.0° |
| C3 | N5 | H6 | 118.8° | 120.1° |
| C9 | C8 | H9 | 119.6° | 120.0° |
| C8 | C9 | H10 | 118.7° | 120.0° |
| C34 | C31 | C32 | 115.9° | 119.7° |
| C31 | C34 | H22 | 109.5° | 109.5° |
| C31 | C34 | H23 | 109.4° | 109.5° |
| C31 | C34 | H24 | 109.4° | 109.5° |
| C31 | C32 | C33 | 121.5° | 120.7° |
| C31 | C32 | H20 | 119.3° | 119.7° |
| O28 | C27 | C33 | 125.7° | 133.2° |
| C27 | C33 | C32 | 119.5° | 119.8° |
| C27 | C33 | H21 | 120.2° | 120.1° |
| O4 | C3 | C2 | 119.6° | 120.0° |
| C3 | C2 | C1 | 109.5° | 119.9° |
| C3 | C2 | H4 | 125.2° | 120.0° |
| C33 | C32 | H20 | 119.2° | 119.6° |
| C32 | C33 | H21 | 120.3° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H4 | 125.2° | 120.0° |
| H1 | C1 | H2 | 120.0° | 120.0° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H14 | N23 | H15 | 120.0° | 120.1° |
| H16 | C29 | H17 | 109.5° | 109.4° |
| H16 | C29 | H18 | 109.5° | 109.4° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H22 | C34 | H24 | 109.5° | 109.5° |
| H23 | C34 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C25 | C24 | C26 | 179.5° | 180.0° |
| C29 | C25 | C24 | C14 | 0.2° | 0.1° |
| C29 | C25 | C24 | O28 | 178.4° | 179.7° |
| C29 | C25 | C26 | C30 | 0.5° | 0.0° |
| C29 | C25 | C26 | C27 | 179.0° | 180.0° |
| C25 | C29 | H16 | H17 | 120.0° | 120.1° |
| C25 | C29 | H16 | H18 | 120.0° | 120.0° |
| C25 | C29 | H17 | H18 | 120.0° | 120.1° |
| O22 | C18 | N19 | C16 | 176.5° | 180.0° |
| O22 | C18 | N19 | N20 | 177.2° | 179.9° |
| O22 | C18 | C16 | N17 | 1.2° | 0.0° |
| O22 | C18 | C16 | C15 | 177.9° | 179.5° |
| O22 | C18 | N19 | H13 | 2.8° | 0.0° |
| C11 | C12 | C7 | H12 | 180.0° | 179.6° |
| C12 | C11 | C10 | H11 | 180.0° | 179.7° |
| C12 | C11 | C10 | N13 | 177.3° | 179.8° |
| C11 | C12 | C7 | C6 | 179.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.7° | 0.2° |
| C11 | C12 | C7 | C8 | 0.6° | 0.5° |
| C7 | C12 | C11 | C10 | 0.6° | 0.5° |
| C12 | C7 | C6 | C8 | 179.6° | 179.8° |
| C12 | C7 | C6 | N5 | 157.6° | 90.3° |
| C12 | C7 | C8 | C9 | 0.8° | 0.2° |
| C12 | C7 | C6 | H7 | 36.9° | 149.8° |
| C12 | C7 | C6 | H8 | 81.7° | 29.8° |
| C12 | C7 | C8 | H9 | 179.2° | 179.8° |
| C7 | C12 | C11 | H11 | 179.4° | 179.8° |
| C11 | C10 | N13 | N17 | 77.4° | 137.3° |
| C11 | C10 | N13 | C14 | 88.0° | 42.3° |
| C11 | C10 | N13 | C9 | 176.2° | 180.0° |
| C11 | C10 | C9 | C8 | 2.1° | 0.0° |
| C11 | C10 | C9 | H10 | 177.9° | 180.0° |
| C10 | C11 | C12 | H12 | 179.4° | 179.9° |
| C18 | N19 | N20 | H13 | 180.0° | 179.9° |
| C18 | N19 | N20 | C21 | 0.6° | 1.0° |
| N19 | C18 | C16 | N17 | 177.9° | 180.0° |
| N19 | C18 | C16 | C15 | 1.2° | 0.5° |
| N20 | N19 | C18 | C16 | 0.7° | 0.0° |
| N19 | N20 | C21 | C15 | 1.2° | 1.5° |
| N19 | N20 | C21 | N23 | 179.0° | 179.9° |
| C18 | C16 | N17 | C15 | 179.1° | 179.5° |
| C18 | C16 | C15 | C21 | 0.6° | 0.0° |
| C18 | C16 | N17 | N13 | 176.5° | 180.0° |
| C18 | C16 | C15 | C14 | 179.4° | 180.0° |
| C16 | C18 | N19 | H13 | 179.4° | 180.0° |
| N20 | C21 | C15 | C16 | 0.6° | 0.9° |
| N20 | C21 | C15 | N23 | 177.8° | 178.5° |
| N20 | C21 | C15 | C14 | 177.6° | 179.1° |
| C21 | N20 | N19 | H13 | 179.4° | 178.9° |
| N20 | C21 | N23 | H14 | 0.0° | 6.3° |
| N20 | C21 | N23 | H15 | 180.0° | 173.7° |
| N17 | C16 | C15 | C21 | 178.7° | 179.7° |
| N17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C16 | N17 | N13 | C14 | 7.5° | 0.5° |
| C16 | N17 | N13 | C10 | 175.1° | 179.8° |
| C16 | C15 | C21 | C14 | 178.2° | 180.0° |
| C16 | C15 | C21 | N23 | 178.4° | 179.4° |
| C15 | C16 | N17 | N13 | 4.4° | 0.5° |
| C16 | C15 | C14 | N13 | 4.6° | 0.0° |
| C16 | C15 | C14 | C24 | 176.5° | 180.0° |
| C25 | C24 | C14 | C15 | 104.2° | 125.5° |
| C25 | C24 | C14 | N13 | 85.3° | 54.5° |
| C25 | C24 | C14 | O28 | 178.2° | 179.6° |
| C24 | C25 | C26 | C30 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 1.4° | 0.0° |
| C25 | C24 | O28 | C27 | 1.7° | 0.5° |
| C24 | C25 | C29 | H16 | 90.3° | 95.3° |
| C24 | C25 | C29 | H17 | 149.7° | 144.7° |
| C24 | C25 | C29 | H18 | 29.7° | 24.6° |
| C26 | C25 | C24 | C14 | 179.7° | 179.9° |
| C26 | C25 | C24 | O28 | 2.0° | 0.3° |
| C25 | C26 | C30 | C27 | 178.2° | 179.9° |
| C25 | C26 | C30 | C31 | 178.8° | 180.0° |
| C25 | C26 | C27 | O28 | 0.6° | 0.3° |
| C25 | C26 | C27 | C33 | 179.8° | 180.0° |
| C26 | C25 | C29 | H16 | 90.2° | 84.7° |
| C26 | C25 | C29 | H17 | 29.8° | 35.3° |
| C26 | C25 | C29 | H18 | 149.8° | 155.4° |
| C25 | C26 | C30 | H19 | 1.2° | 0.0° |
| C21 | C15 | C14 | N13 | 177.0° | 180.0° |
| C21 | C15 | C14 | C24 | 5.0° | 0.0° |
| C15 | C21 | N23 | H14 | 177.9° | 175.2° |
| C15 | C21 | N23 | H15 | 2.1° | 4.8° |
| N23 | C21 | C15 | C14 | 0.2° | 0.6° |
| C21 | N23 | H14 | H15 | 180.0° | 179.9° |
| N17 | N13 | C14 | C15 | 7.7° | 0.3° |
| N17 | N13 | C14 | C10 | 166.5° | 179.7° |
| N17 | N13 | C14 | C24 | 179.1° | 179.7° |
| N17 | N13 | C10 | C9 | 98.8° | 42.7° |
| C15 | C14 | N13 | C24 | 171.4° | 180.0° |
| C15 | C14 | N13 | C10 | 174.2° | 180.0° |
| C15 | C14 | C24 | O28 | 73.9° | 54.9° |
| C14 | N13 | C10 | C9 | 95.8° | 137.7° |
| N13 | C14 | C24 | O28 | 96.5° | 125.1° |
| C24 | C14 | N13 | C10 | 14.5° | 0.1° |
| C14 | C24 | O28 | C27 | 179.9° | 179.9° |
| N13 | C10 | C9 | C8 | 178.3° | 180.0° |
| N13 | C10 | C9 | H10 | 1.7° | 0.0° |
| N13 | C10 | C11 | H11 | 2.8° | 0.0° |
| C7 | C6 | N5 | H7 | 120.7° | 120.0° |
| C7 | C6 | N5 | H8 | 120.7° | 120.0° |
| C7 | C6 | N5 | C3 | 88.9° | 180.0° |
| C6 | C7 | C8 | C9 | 179.6° | 180.0° |
| C7 | C6 | N5 | H6 | 91.1° | 0.1° |
| C7 | C6 | H7 | H8 | 117.8° | 120.0° |
| C6 | C7 | C8 | H9 | 0.4° | 0.0° |
| C6 | C7 | C12 | H12 | 1.0° | 0.2° |
| N5 | C6 | C7 | C8 | 22.9° | 90.0° |
| C6 | N5 | C3 | H6 | 180.0° | 179.9° |
| C6 | N5 | C3 | O4 | 1.9° | 0.0° |
| C6 | N5 | C3 | C2 | 179.2° | 180.0° |
| N5 | C6 | H7 | H8 | 117.9° | 120.0° |
| C10 | C9 | C8 | C7 | 2.2° | 0.1° |
| C10 | C9 | C8 | H10 | 180.0° | 179.9° |
| C10 | C9 | C8 | H9 | 177.7° | 180.0° |
| C9 | C10 | C11 | H11 | 179.3° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | H7 | 143.6° | 30.0° |
| C8 | C7 | C6 | H8 | 97.8° | 150.0° |
| C7 | C8 | C9 | H10 | 177.8° | 180.0° |
| C8 | C7 | C12 | H12 | 179.4° | 180.0° |
| C24 | O28 | C27 | C26 | 0.6° | 0.5° |
| C24 | O28 | C27 | C33 | 178.9° | 179.9° |
| C26 | C30 | C31 | H19 | 180.0° | 180.0° |
| C26 | C30 | C31 | C34 | 179.9° | 180.0° |
| C26 | C30 | C31 | C32 | 0.4° | 0.0° |
| C30 | C26 | C27 | O28 | 179.4° | 179.7° |
| C30 | C26 | C27 | C33 | 1.1° | 0.1° |
| C31 | C30 | C26 | C27 | 0.6° | 0.1° |
| C30 | C31 | C34 | C32 | 179.5° | 180.0° |
| C30 | C31 | C32 | C33 | 0.9° | 0.0° |
| C30 | C31 | C32 | H20 | 179.1° | 179.9° |
| C30 | C31 | C34 | H22 | 90.3° | 90.0° |
| C30 | C31 | C34 | H23 | 149.8° | 150.0° |
| C30 | C31 | C34 | H24 | 29.7° | 30.0° |
| C26 | C27 | O28 | C33 | 179.5° | 179.6° |
| C26 | C27 | C33 | C32 | 0.6° | 0.0° |
| C27 | C26 | C30 | H19 | 179.4° | 179.9° |
| C26 | C27 | C33 | H21 | 179.4° | 180.0° |
| N5 | C3 | O4 | C2 | 178.9° | 180.0° |
| N5 | C3 | C2 | C1 | 106.9° | 180.0° |
| N5 | C3 | C2 | H4 | 73.1° | 0.0° |
| C3 | N5 | C6 | H7 | 150.4° | 60.1° |
| C3 | N5 | C6 | H8 | 31.8° | 60.0° |
| C34 | C31 | C32 | C33 | 179.6° | 180.0° |
| C34 | C31 | C30 | H19 | 0.1° | 0.0° |
| C34 | C31 | C32 | H20 | 0.4° | 0.1° |
| C31 | C34 | H22 | H23 | 120.0° | 120.0° |
| C31 | C34 | H22 | H24 | 120.0° | 120.0° |
| C31 | C34 | H23 | H24 | 120.0° | 120.0° |
| C31 | C32 | C33 | C27 | 0.4° | 0.0° |
| C31 | C32 | C33 | H20 | 180.0° | 179.9° |
| C32 | C31 | C30 | H19 | 179.6° | 180.0° |
| C31 | C32 | C33 | H21 | 179.6° | 180.0° |
| C32 | C31 | C34 | H22 | 90.2° | 90.0° |
| C32 | C31 | C34 | H23 | 29.8° | 30.0° |
| C32 | C31 | C34 | H24 | 149.8° | 150.0° |
| O28 | C27 | C33 | C32 | 179.9° | 179.6° |
| O28 | C27 | C33 | H21 | 0.1° | 0.4° |
| C27 | C33 | C32 | H21 | 180.0° | 180.0° |
| C27 | C33 | C32 | H20 | 179.6° | 179.9° |
| O4 | C3 | C2 | C1 | 72.0° | 0.0° |
| O4 | C3 | C2 | H4 | 107.9° | 180.0° |
| O4 | C3 | N5 | H6 | 178.1° | 179.9° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 0.0° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 0.3° |
| C2 | C3 | N5 | H6 | 0.8° | 0.1° |
| C2 | C1 | H1 | H2 | 180.0° | 179.7° |
| H1 | C1 | C2 | H4 | 180.0° | 0.0° |
| H2 | C1 | C2 | H4 | 0.1° | 179.7° |
| H6 | N5 | C6 | H7 | 29.6° | 120.0° |
| H6 | N5 | C6 | H8 | 148.3° | 120.0° |
| H9 | C8 | C9 | H10 | 2.2° | 0.0° |
| H11 | C11 | C12 | H12 | 0.6° | 0.2° |
| H16 | C29 | H17 | H18 | 120.0° | 119.9° |
| H20 | C32 | C33 | H21 | 0.4° | 0.1° |
| H22 | C34 | H23 | H24 | 120.0° | 120.0° |
