7AV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| N23 | C21 | sing | 1.39Å | 1.31Å | |
| C21 | S20 | sing | 1.76Å | 1.73Å | Aromatic |
| C21 | N22 | doub | 1.30Å | 1.27Å | Aromatic |
| S20 | C19 | sing | 1.76Å | 1.75Å | Aromatic |
| N22 | C18 | sing | 1.33Å | 1.45Å | Aromatic |
| CL3 | C30 | sing | 1.74Å | 1.75Å | |
| C19 | C18 | doub | 1.34Å | 1.34Å | Aromatic |
| C18 | C2 | sing | 1.48Å | 1.51Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.51Å | 1.53Å | |
| C6 | N7 | sing | 1.40Å | 1.42Å | |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | O25 | sing | 1.36Å | 1.40Å | |
| C17 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | O25 | sing | 1.43Å | 1.44Å | |
| C12 | C10 | sing | 1.47Å | 1.52Å | |
| C9 | C8 | sing | 1.54Å | 1.57Å | |
| N7 | C10 | sing | 1.35Å | 1.37Å | |
| N7 | C8 | sing | 1.46Å | 1.46Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N23 | C21 | 122.4° | 120.0° |
| N23 | C24 | H8 | 109.5° | 109.5° |
| N23 | C24 | H9 | 109.5° | 109.4° |
| N23 | C24 | H10 | 109.5° | 109.5° |
| C24 | N23 | H20 | 106.1° | 120.0° |
| N23 | C21 | S20 | 123.3° | 125.3° |
| N23 | C21 | N22 | 125.1° | 125.3° |
| C21 | N23 | H20 | 106.1° | 120.0° |
| S20 | C21 | N22 | 111.6° | 109.4° |
| C21 | S20 | C19 | 89.7° | 90.1° |
| C21 | N22 | C18 | 117.1° | 116.9° |
| S20 | C19 | C18 | 113.0° | 108.3° |
| S20 | C19 | H7 | 123.5° | 125.9° |
| N22 | C18 | C19 | 108.6° | 115.3° |
| N22 | C18 | C2 | 123.5° | 122.4° |
| CL3 | C30 | C31 | 120.1° | 120.0° |
| CL3 | C30 | C29 | 120.1° | 120.0° |
| C19 | C18 | C2 | 127.8° | 122.3° |
| C18 | C19 | H7 | 123.5° | 125.9° |
| C18 | C2 | C3 | 121.8° | 120.2° |
| C18 | C2 | C1 | 118.7° | 120.2° |
| C31 | C30 | C29 | 119.9° | 120.0° |
| C30 | C31 | C32 | 120.3° | 119.9° |
| C30 | C31 | H21 | 119.9° | 120.0° |
| C30 | C29 | C28 | 119.8° | 119.9° |
| C30 | C29 | H14 | 120.1° | 120.1° |
| C31 | C32 | C27 | 120.2° | 120.0° |
| C32 | C31 | H21 | 119.8° | 120.0° |
| C31 | C32 | H22 | 119.9° | 119.9° |
| C3 | C2 | C1 | 119.4° | 119.6° |
| C2 | C3 | C4 | 121.8° | 120.1° |
| C2 | C3 | H2 | 119.2° | 120.0° |
| C2 | C1 | C5 | 118.4° | 120.1° |
| C2 | C1 | H1 | 120.8° | 120.0° |
| C3 | C4 | C6 | 118.4° | 120.4° |
| C4 | C3 | H2 | 119.1° | 120.0° |
| C3 | C4 | H15 | 120.8° | 119.8° |
| C29 | C28 | C27 | 120.8° | 120.0° |
| C29 | C28 | H13 | 119.6° | 120.0° |
| C28 | C29 | H14 | 120.1° | 120.0° |
| C1 | C5 | C6 | 122.1° | 120.6° |
| C1 | C5 | C9 | 130.5° | 130.9° |
| C5 | C1 | H1 | 120.8° | 120.0° |
| C32 | C27 | C28 | 119.0° | 120.1° |
| C32 | C27 | C26 | 121.3° | 120.0° |
| C27 | C32 | H22 | 119.9° | 120.0° |
| C4 | C6 | C5 | 120.0° | 119.3° |
| C4 | C6 | N7 | 128.8° | 129.2° |
| C6 | C4 | H15 | 120.8° | 119.8° |
| C28 | C27 | C26 | 119.6° | 120.0° |
| C27 | C28 | H13 | 119.6° | 120.0° |
| C27 | C26 | O25 | 110.2° | 109.5° |
| C27 | C26 | H11 | 109.3° | 109.4° |
| C27 | C26 | H12 | 109.3° | 109.5° |
| C16 | C15 | C14 | 120.1° | 120.4° |
| C15 | C16 | C17 | 120.9° | 120.1° |
| C16 | C15 | H5 | 119.9° | 119.8° |
| C15 | C16 | H6 | 119.6° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.3° |
| C15 | C14 | H4 | 120.2° | 119.9° |
| C14 | C15 | H5 | 120.0° | 119.8° |
| C6 | C5 | C9 | 107.4° | 108.6° |
| C5 | C6 | N7 | 111.2° | 111.5° |
| C5 | C9 | C8 | 102.5° | 104.6° |
| C5 | C9 | H18 | 111.2° | 110.4° |
| C5 | C9 | H19 | 111.2° | 110.4° |
| C6 | N7 | C10 | 129.4° | 124.9° |
| C6 | N7 | C8 | 107.9° | 110.1° |
| C16 | C17 | O25 | 120.9° | 120.1° |
| C16 | C17 | C12 | 118.8° | 119.7° |
| C17 | C16 | H6 | 119.6° | 120.0° |
| C14 | C13 | C12 | 120.6° | 119.9° |
| C14 | C13 | H3 | 119.7° | 120.0° |
| C13 | C14 | H4 | 120.2° | 119.8° |
| O25 | C17 | C12 | 120.3° | 120.2° |
| C17 | O25 | C26 | 121.5° | 117.0° |
| C17 | C12 | C13 | 120.0° | 119.6° |
| C17 | C12 | C10 | 121.5° | 120.2° |
| C13 | C12 | C10 | 118.5° | 120.2° |
| C12 | C13 | H3 | 119.7° | 120.1° |
| O25 | C26 | H11 | 109.3° | 109.4° |
| O25 | C26 | H12 | 109.3° | 109.5° |
| C12 | C10 | N7 | 121.5° | 120.0° |
| C12 | C10 | O11 | 115.0° | 120.0° |
| C9 | C8 | N7 | 101.9° | 105.3° |
| C9 | C8 | H16 | 111.3° | 110.5° |
| C9 | C8 | H17 | 111.3° | 110.2° |
| C8 | C9 | H18 | 111.2° | 110.5° |
| C8 | C9 | H19 | 111.2° | 110.3° |
| C10 | N7 | C8 | 122.8° | 125.0° |
| N7 | C10 | O11 | 123.5° | 120.0° |
| N7 | C8 | H16 | 111.3° | 110.3° |
| N7 | C8 | H17 | 111.3° | 110.3° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 110.2° |
| H18 | C9 | H19 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | N23 | C21 | H20 | 121.8° | 179.9° |
| C24 | N23 | C21 | S20 | 168.3° | 0.1° |
| C24 | N23 | C21 | N22 | 12.0° | 179.7° |
| N23 | C24 | H8 | H9 | 120.0° | 119.9° |
| N23 | C24 | H8 | H10 | 120.0° | 120.0° |
| N23 | C24 | H9 | H10 | 120.0° | 120.0° |
| N23 | C21 | S20 | N22 | 179.7° | 179.8° |
| N23 | C21 | S20 | C19 | 179.8° | 180.0° |
| N23 | C21 | N22 | C18 | 179.2° | 179.8° |
| C21 | N23 | C24 | H8 | 180.0° | 180.0° |
| C21 | N23 | C24 | H9 | 60.0° | 60.1° |
| C21 | N23 | C24 | H10 | 60.0° | 60.0° |
| S20 | C21 | N22 | C18 | 1.1° | 0.4° |
| C21 | S20 | C19 | C18 | 0.3° | 0.0° |
| C21 | S20 | C19 | H7 | 179.7° | 180.0° |
| S20 | C21 | N23 | H20 | 69.9° | 180.0° |
| N22 | C21 | S20 | C19 | 0.5° | 0.2° |
| C21 | N22 | C18 | C19 | 1.3° | 0.4° |
| C21 | N22 | C18 | C2 | 178.3° | 179.8° |
| N22 | C21 | N23 | H20 | 109.8° | 0.2° |
| S20 | C19 | C18 | N22 | 0.8° | 0.3° |
| S20 | C19 | C18 | H7 | 180.0° | 179.9° |
| S20 | C19 | C18 | C2 | 177.6° | 180.0° |
| N22 | C18 | C19 | C2 | 176.8° | 179.7° |
| N22 | C18 | C2 | C3 | 5.5° | 175.3° |
| N22 | C18 | C2 | C1 | 177.3° | 4.8° |
| N22 | C18 | C19 | H7 | 179.2° | 179.8° |
| CL3 | C30 | C31 | C29 | 179.8° | 179.7° |
| CL3 | C30 | C31 | C32 | 179.7° | 180.0° |
| CL3 | C30 | C29 | C28 | 179.7° | 179.7° |
| CL3 | C30 | C29 | H14 | 0.3° | 0.2° |
| CL3 | C30 | C31 | H21 | 0.2° | 0.3° |
| C19 | C18 | C2 | C3 | 170.8° | 5.0° |
| C19 | C18 | C2 | C1 | 6.4° | 175.0° |
| C18 | C2 | C3 | C1 | 177.1° | 180.0° |
| C18 | C2 | C3 | C4 | 178.7° | 180.0° |
| C18 | C2 | C1 | C5 | 178.4° | 180.0° |
| C18 | C2 | C1 | H1 | 1.6° | 0.3° |
| C18 | C2 | C3 | H2 | 1.3° | 0.0° |
| C2 | C18 | C19 | H7 | 2.4° | 0.1° |
| C30 | C31 | C32 | H21 | 180.0° | 179.7° |
| C31 | C30 | C29 | C28 | 0.1° | 0.0° |
| C30 | C31 | C32 | C27 | 0.0° | 0.5° |
| C31 | C30 | C29 | H14 | 179.9° | 179.9° |
| C30 | C31 | C32 | H22 | 179.9° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.3° |
| C30 | C29 | C28 | H14 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C30 | C29 | C28 | H13 | 179.9° | 180.0° |
| C29 | C30 | C31 | H21 | 180.0° | 180.0° |
| C31 | C32 | C27 | H22 | 180.0° | 179.5° |
| C31 | C32 | C27 | C28 | 0.0° | 0.5° |
| C31 | C32 | C27 | C26 | 179.8° | 179.7° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C5 | 1.2° | 0.0° |
| C2 | C3 | C4 | C6 | 1.3° | 0.0° |
| C3 | C2 | C1 | H1 | 178.9° | 179.7° |
| C2 | C3 | C4 | H15 | 178.8° | 179.9° |
| C1 | C2 | C3 | C4 | 1.5° | 0.0° |
| C2 | C1 | C5 | H1 | 180.0° | 179.7° |
| C2 | C1 | C5 | C6 | 0.6° | 0.1° |
| C2 | C1 | C5 | C9 | 179.2° | 179.7° |
| C1 | C2 | C3 | H2 | 178.4° | 180.0° |
| C3 | C4 | C6 | H15 | 180.0° | 179.9° |
| C3 | C4 | C6 | C5 | 0.6° | 0.1° |
| C3 | C4 | C6 | N7 | 179.9° | 180.0° |
| C29 | C28 | C27 | C32 | 0.0° | 0.2° |
| C29 | C28 | C27 | H13 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 179.8° | 180.0° |
| C1 | C5 | C6 | C4 | 0.3° | 0.1° |
| C1 | C5 | C6 | C9 | 179.8° | 179.9° |
| C1 | C5 | C6 | N7 | 179.9° | 180.0° |
| C1 | C5 | C9 | C8 | 162.2° | 179.9° |
| C1 | C5 | C9 | H18 | 78.9° | 61.2° |
| C1 | C5 | C9 | H19 | 43.3° | 61.2° |
| C32 | C27 | C28 | C26 | 179.9° | 179.8° |
| C32 | C27 | C26 | O25 | 14.2° | 90.2° |
| C32 | C27 | C26 | H11 | 105.8° | 29.7° |
| C32 | C27 | C26 | H12 | 134.4° | 149.8° |
| C32 | C27 | C28 | H13 | 179.9° | 179.8° |
| C27 | C32 | C31 | H21 | 180.0° | 179.8° |
| C4 | C6 | C5 | N7 | 179.6° | 179.9° |
| C4 | C6 | C5 | C9 | 179.5° | 179.7° |
| C4 | C6 | N7 | C10 | 19.8° | 0.1° |
| C4 | C6 | N7 | C8 | 159.9° | 179.9° |
| C6 | C4 | C3 | H2 | 178.7° | 180.0° |
| C28 | C27 | C26 | O25 | 165.6° | 90.0° |
| C28 | C27 | C26 | H11 | 74.3° | 150.1° |
| C28 | C27 | C26 | H12 | 45.5° | 30.0° |
| C27 | C28 | C29 | H14 | 179.9° | 180.0° |
| C28 | C27 | C32 | H22 | 180.0° | 180.0° |
| C27 | C26 | O25 | C17 | 83.2° | 180.0° |
| C27 | C26 | O25 | H11 | 120.1° | 119.9° |
| C27 | C26 | O25 | H12 | 120.1° | 120.0° |
| C27 | C26 | H11 | H12 | 119.7° | 120.1° |
| C26 | C27 | C28 | H13 | 0.2° | 0.0° |
| C26 | C27 | C32 | H22 | 0.2° | 0.2° |
| C16 | C15 | C14 | H5 | 180.0° | 179.7° |
| C15 | C16 | C17 | H6 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | O25 | 179.9° | 180.0° |
| C15 | C16 | C17 | C12 | 0.2° | 0.6° |
| C16 | C15 | C14 | H4 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | H4 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H3 | 179.8° | 180.0° |
| C14 | C15 | C16 | H6 | 179.8° | 179.9° |
| C6 | C5 | C9 | C8 | 17.6° | 0.3° |
| C5 | C6 | N7 | C10 | 160.6° | 180.0° |
| C5 | C6 | N7 | C8 | 19.6° | 0.1° |
| C6 | C5 | C1 | H1 | 179.5° | 179.8° |
| C5 | C6 | C4 | H15 | 179.4° | 180.0° |
| C6 | C5 | C9 | H18 | 101.3° | 118.6° |
| C6 | C5 | C9 | H19 | 136.5° | 118.9° |
| C9 | C5 | C6 | N7 | 0.1° | 0.2° |
| C5 | C9 | C8 | H18 | 118.9° | 118.8° |
| C5 | C9 | C8 | H19 | 118.9° | 118.7° |
| C5 | C9 | C8 | N7 | 27.8° | 0.3° |
| C9 | C5 | C1 | H1 | 0.8° | 0.1° |
| C5 | C9 | C8 | H16 | 146.6° | 118.7° |
| C5 | C9 | C8 | H17 | 90.9° | 119.2° |
| C5 | C9 | H18 | H19 | 123.2° | 122.4° |
| C6 | N7 | C10 | C12 | 0.8° | 174.5° |
| C6 | N7 | C8 | C9 | 29.2° | 0.3° |
| C6 | N7 | C10 | C8 | 179.8° | 179.9° |
| C6 | N7 | C10 | O11 | 179.5° | 5.6° |
| N7 | C6 | C4 | H15 | 0.1° | 0.1° |
| C6 | N7 | C8 | H16 | 148.0° | 119.0° |
| C6 | N7 | C8 | H17 | 89.6° | 119.1° |
| C16 | C17 | O25 | C12 | 179.9° | 179.4° |
| C16 | C17 | C12 | C13 | 0.5° | 0.6° |
| C16 | C17 | O25 | C26 | 15.1° | 0.0° |
| C16 | C17 | C12 | C10 | 179.6° | 179.7° |
| C17 | C16 | C15 | H5 | 179.9° | 180.0° |
| C14 | C13 | C12 | C17 | 0.5° | 0.3° |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | C10 | 179.6° | 180.0° |
| C13 | C14 | C15 | H5 | 179.9° | 179.7° |
| O25 | C17 | C12 | C13 | 179.6° | 180.0° |
| O25 | C17 | C12 | C10 | 0.5° | 0.3° |
| O25 | C17 | C16 | H6 | 0.1° | 0.2° |
| C17 | O25 | C26 | H11 | 156.7° | 60.0° |
| C17 | O25 | C26 | H12 | 36.9° | 60.0° |
| C17 | C12 | C13 | C10 | 179.2° | 179.7° |
| C12 | C17 | O25 | C26 | 164.9° | 179.4° |
| C17 | C12 | C10 | N7 | 99.5° | 172.1° |
| C17 | C12 | C10 | O11 | 80.7° | 7.9° |
| C17 | C12 | C13 | H3 | 179.5° | 179.7° |
| C12 | C17 | C16 | H6 | 179.9° | 179.6° |
| C13 | C12 | C10 | N7 | 79.6° | 7.6° |
| C13 | C12 | C10 | O11 | 100.2° | 172.4° |
| C12 | C13 | C14 | H4 | 179.9° | 180.0° |
| O25 | C26 | H11 | H12 | 119.7° | 120.0° |
| C12 | C10 | N7 | O11 | 179.7° | 180.0° |
| C12 | C10 | N7 | C8 | 179.5° | 5.5° |
| C10 | C12 | C13 | H3 | 0.4° | 0.0° |
| C9 | C8 | N7 | C10 | 151.0° | 179.8° |
| C9 | C8 | N7 | H16 | 118.8° | 119.2° |
| C9 | C8 | N7 | H17 | 118.8° | 118.8° |
| C9 | C8 | H16 | H17 | 123.5° | 122.0° |
| C8 | C9 | H18 | H19 | 123.2° | 122.4° |
| C10 | N7 | C8 | H16 | 32.2° | 61.0° |
| C10 | N7 | C8 | H17 | 90.2° | 61.0° |
| C8 | N7 | C10 | O11 | 0.3° | 174.5° |
| N7 | C8 | H16 | H17 | 123.5° | 122.0° |
| N7 | C8 | C9 | H18 | 91.0° | 118.5° |
| N7 | C8 | C9 | H19 | 146.7° | 119.0° |
| H2 | C3 | C4 | H15 | 1.3° | 0.1° |
| H3 | C13 | C14 | H4 | 0.1° | 0.1° |
| H4 | C14 | C15 | H5 | 0.2° | 0.3° |
| H5 | C15 | C16 | H6 | 0.2° | 0.2° |
| H8 | C24 | H9 | H10 | 120.0° | 120.0° |
| H8 | C24 | N23 | H20 | 58.2° | 0.1° |
| H9 | C24 | N23 | H20 | 61.8° | 120.0° |
| H10 | C24 | N23 | H20 | 178.2° | 120.0° |
| H13 | C28 | C29 | H14 | 0.1° | 0.1° |
| H16 | C8 | C9 | H18 | 27.7° | 122.5° |
| H16 | C8 | C9 | H19 | 94.5° | 0.0° |
| H17 | C8 | C9 | H18 | 150.2° | 0.4° |
| H17 | C8 | C9 | H19 | 27.9° | 122.1° |
| H21 | C31 | C32 | H22 | 0.0° | 0.3° |
