8NM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C10 | doub | 1.35Å | 1.37Å | Aromatic |
| C8 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | N22 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | N24 | sing | 1.40Å | 1.43Å | |
| C15 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | O28 | sing | 1.36Å | 1.38Å | |
| C17 | C18 | doub | 1.36Å | 1.34Å | |
| C17 | N23 | sing | 1.36Å | 1.38Å | |
| C20 | N23 | sing | 1.46Å | 1.46Å | |
| C21 | S29 | sing | 1.81Å | 1.78Å | |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C18 | sing | 1.47Å | 1.42Å | |
| C12 | C18 | sing | 1.48Å | 1.48Å | |
| C14 | O28 | sing | 1.36Å | 1.38Å | |
| C16 | C19 | sing | 1.41Å | 1.44Å | |
| C16 | N22 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | N23 | sing | 1.34Å | 1.38Å | |
| C19 | O25 | doub | 1.22Å | 1.23Å | |
| N24 | S29 | sing | 1.66Å | 1.70Å | |
| O26 | S29 | doub | 1.42Å | 1.46Å | |
| O27 | S29 | doub | 1.42Å | 1.45Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| N24 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C4 | C13 | 119.7° | 120.2° |
| C4 | C7 | C15 | 119.8° | 120.1° |
| C7 | C4 | H4 | 120.1° | 119.9° |
| C4 | C7 | H7 | 120.1° | 119.9° |
| C4 | C13 | C9 | 120.1° | 120.1° |
| C4 | C13 | N24 | 114.5° | 119.9° |
| C13 | C4 | H4 | 120.1° | 119.9° |
| C2 | C5 | C14 | 118.9° | 120.0° |
| C5 | C2 | C1 | 121.0° | 120.0° |
| C2 | C5 | H5 | 120.6° | 120.0° |
| C5 | C2 | H2 | 119.5° | 120.0° |
| C5 | C14 | C6 | 120.7° | 119.9° |
| C5 | C14 | O28 | 123.1° | 120.1° |
| C14 | C5 | H5 | 120.5° | 120.0° |
| C3 | C6 | C14 | 119.9° | 119.9° |
| C6 | C3 | C1 | 119.4° | 120.1° |
| C3 | C6 | H6 | 120.0° | 120.1° |
| C6 | C3 | H3 | 120.3° | 120.0° |
| C6 | C14 | O28 | 116.1° | 120.0° |
| C14 | C6 | H6 | 120.1° | 120.0° |
| C7 | C15 | C12 | 121.5° | 120.0° |
| C7 | C15 | O28 | 117.0° | 120.0° |
| C15 | C7 | H7 | 120.1° | 120.0° |
| C10 | C8 | C11 | 107.3° | 107.7° |
| C8 | C10 | N22 | 108.7° | 109.4° |
| C10 | C8 | H8 | 126.3° | 126.1° |
| C8 | C10 | H10 | 125.6° | 125.3° |
| C8 | C11 | C16 | 106.6° | 106.9° |
| C8 | C11 | C18 | 133.2° | 134.5° |
| C11 | C8 | H8 | 126.3° | 126.1° |
| C10 | N22 | C16 | 108.8° | 108.9° |
| N22 | C10 | H10 | 125.6° | 125.3° |
| C10 | N22 | H22 | 125.6° | 125.6° |
| C9 | C13 | N24 | 125.4° | 120.0° |
| C13 | C9 | C12 | 121.1° | 119.8° |
| C13 | C9 | H9 | 119.5° | 120.1° |
| C13 | N24 | S29 | 121.0° | 120.0° |
| C13 | N24 | H14 | 106.5° | 120.0° |
| C12 | C15 | O28 | 121.3° | 120.0° |
| C15 | C12 | C9 | 117.8° | 119.7° |
| C15 | C12 | C18 | 122.5° | 120.1° |
| C15 | O28 | C14 | 121.0° | 118.0° |
| C18 | C17 | N23 | 124.3° | 121.0° |
| C17 | C18 | C11 | 115.6° | 118.7° |
| C17 | C18 | C12 | 118.4° | 120.7° |
| C18 | C17 | H17 | 117.8° | 119.5° |
| C17 | N23 | C20 | 117.5° | 118.9° |
| C17 | N23 | C19 | 123.7° | 122.3° |
| N23 | C17 | H17 | 117.8° | 119.5° |
| C20 | N23 | C19 | 118.7° | 118.9° |
| N23 | C20 | H202 | 109.5° | 109.5° |
| N23 | C20 | H203 | 109.5° | 109.5° |
| N23 | C20 | H201 | 109.5° | 109.4° |
| C21 | S29 | N24 | 101.6° | 104.5° |
| C21 | S29 | O26 | 104.3° | 110.5° |
| C21 | S29 | O27 | 110.3° | 110.5° |
| S29 | C21 | H11 | 109.5° | 109.5° |
| S29 | C21 | H12 | 109.5° | 109.5° |
| S29 | C21 | H13 | 109.5° | 109.5° |
| C2 | C1 | C3 | 120.0° | 120.1° |
| C2 | C1 | H1 | 120.0° | 119.9° |
| C1 | C2 | H2 | 119.5° | 120.0° |
| C3 | C1 | H1 | 120.0° | 119.9° |
| C1 | C3 | H3 | 120.3° | 119.9° |
| C9 | C12 | C18 | 119.7° | 120.1° |
| C12 | C9 | H9 | 119.4° | 120.1° |
| C16 | C11 | C18 | 120.2° | 118.6° |
| C11 | C16 | C19 | 124.3° | 118.9° |
| C11 | C16 | N22 | 108.5° | 107.0° |
| C11 | C18 | C12 | 126.0° | 120.7° |
| C19 | C16 | N22 | 127.2° | 134.1° |
| C16 | C19 | N23 | 111.9° | 120.6° |
| C16 | C19 | O25 | 122.2° | 119.7° |
| C16 | N22 | H22 | 125.6° | 125.5° |
| N23 | C19 | O25 | 125.9° | 119.7° |
| N24 | S29 | O26 | 108.3° | 104.3° |
| N24 | S29 | O27 | 108.1° | 104.3° |
| S29 | N24 | H14 | 106.6° | 120.0° |
| O26 | S29 | O27 | 122.3° | 121.0° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.4° |
| H11 | C21 | H13 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C4 | C13 | H4 | 180.0° | 179.7° |
| C4 | C7 | C15 | H7 | 180.0° | 179.9° |
| C7 | C4 | C13 | C9 | 0.5° | 0.0° |
| C7 | C4 | C13 | N24 | 179.7° | 179.9° |
| C4 | C7 | C15 | C12 | 0.6° | 0.1° |
| C4 | C7 | C15 | O28 | 175.6° | 180.0° |
| C13 | C4 | C7 | C15 | 0.2° | 0.1° |
| C4 | C13 | C9 | N24 | 179.1° | 179.9° |
| C4 | C13 | C9 | C12 | 1.3° | 0.0° |
| C4 | C13 | N24 | S29 | 161.6° | 45.0° |
| C13 | C4 | C7 | H7 | 179.7° | 180.0° |
| C4 | C13 | C9 | H9 | 178.7° | 180.0° |
| C4 | C13 | N24 | H14 | 76.7° | 135.0° |
| C2 | C5 | C14 | H5 | 180.0° | 179.7° |
| C2 | C5 | C14 | C6 | 0.8° | 0.0° |
| C5 | C2 | C1 | H2 | 180.0° | 179.9° |
| C5 | C2 | C1 | C3 | 0.9° | 0.0° |
| C2 | C5 | C14 | O28 | 178.6° | 179.9° |
| C5 | C2 | C1 | H1 | 179.0° | 179.9° |
| C5 | C14 | C6 | C3 | 1.5° | 0.0° |
| C5 | C14 | C6 | O28 | 177.9° | 179.9° |
| C5 | C14 | O28 | C15 | 13.7° | 89.9° |
| C14 | C5 | C2 | C1 | 0.4° | 0.0° |
| C5 | C14 | C6 | H6 | 178.5° | 180.0° |
| C14 | C5 | C2 | H2 | 179.6° | 179.9° |
| C3 | C6 | C14 | H6 | 180.0° | 180.0° |
| C6 | C3 | C1 | C2 | 0.3° | 0.1° |
| C6 | C3 | C1 | H3 | 180.0° | 179.9° |
| C3 | C6 | C14 | O28 | 179.4° | 180.0° |
| C6 | C3 | C1 | H1 | 179.7° | 180.0° |
| C6 | C14 | O28 | C15 | 168.5° | 90.2° |
| C14 | C6 | C3 | C1 | 0.9° | 0.1° |
| C6 | C14 | C5 | H5 | 179.2° | 179.7° |
| C14 | C6 | C3 | H3 | 179.1° | 180.0° |
| C7 | C15 | C12 | O28 | 174.7° | 179.9° |
| C7 | C15 | C12 | C9 | 1.3° | 0.1° |
| C7 | C15 | C12 | C18 | 177.5° | 179.9° |
| C7 | C15 | O28 | C14 | 74.4° | 0.6° |
| C15 | C7 | C4 | H4 | 179.7° | 179.7° |
| C10 | C8 | C11 | H8 | 180.0° | 179.8° |
| C8 | C10 | N22 | H10 | 180.0° | 180.0° |
| C10 | C8 | C11 | C16 | 0.4° | 0.0° |
| C10 | C8 | C11 | C18 | 179.3° | 180.0° |
| C8 | C10 | N22 | C16 | 1.0° | 0.1° |
| C8 | C10 | N22 | H22 | 179.0° | 180.0° |
| C11 | C8 | C10 | N22 | 0.3° | 0.0° |
| C8 | C11 | C18 | C17 | 179.0° | 180.0° |
| C8 | C11 | C16 | C18 | 179.1° | 180.0° |
| C8 | C11 | C18 | C12 | 0.9° | 0.0° |
| C8 | C11 | C16 | C19 | 179.9° | 180.0° |
| C8 | C11 | C16 | N22 | 1.0° | 0.0° |
| C11 | C8 | C10 | H10 | 179.7° | 180.0° |
| C10 | N22 | C16 | C11 | 1.3° | 0.1° |
| C10 | N22 | C16 | C19 | 179.9° | 180.0° |
| C10 | N22 | C16 | H22 | 180.0° | 179.9° |
| N22 | C10 | C8 | H8 | 179.6° | 179.8° |
| C13 | C9 | C12 | C15 | 1.6° | 0.1° |
| C13 | C9 | C12 | H9 | 180.0° | 180.0° |
| C13 | C9 | C12 | C18 | 177.3° | 180.0° |
| C9 | C13 | N24 | S29 | 19.2° | 135.0° |
| C9 | C13 | C4 | H4 | 179.4° | 179.7° |
| C9 | C13 | N24 | H14 | 102.4° | 44.9° |
| C13 | N24 | S29 | C21 | 81.9° | 65.0° |
| N24 | C13 | C9 | C12 | 179.6° | 180.0° |
| C13 | N24 | S29 | H14 | 121.6° | 179.9° |
| C13 | N24 | S29 | O26 | 168.7° | 51.1° |
| C13 | N24 | S29 | O27 | 34.1° | 179.0° |
| N24 | C13 | C4 | H4 | 0.3° | 0.2° |
| N24 | C13 | C9 | H9 | 0.4° | 0.0° |
| C15 | C12 | C18 | C17 | 136.6° | 75.0° |
| C15 | C12 | C9 | C18 | 178.9° | 180.0° |
| C15 | C12 | C18 | C11 | 43.5° | 105.0° |
| C12 | C15 | O28 | C14 | 110.6° | 179.5° |
| C12 | C15 | C7 | H7 | 179.3° | 180.0° |
| C15 | C12 | C9 | H9 | 178.4° | 179.9° |
| O28 | C15 | C12 | C9 | 176.1° | 180.0° |
| O28 | C15 | C12 | C18 | 2.8° | 0.1° |
| O28 | C15 | C7 | H7 | 4.4° | 0.1° |
| C18 | C17 | N23 | H17 | 180.0° | 180.0° |
| C18 | C17 | N23 | C20 | 176.3° | 179.9° |
| C17 | C18 | C12 | C9 | 44.5° | 105.0° |
| C17 | C18 | C11 | C16 | 0.2° | 0.0° |
| C17 | C18 | C11 | C12 | 179.9° | 180.0° |
| C18 | C17 | N23 | C19 | 0.8° | 0.0° |
| C17 | N23 | C20 | C19 | 177.2° | 180.0° |
| N23 | C17 | C18 | C11 | 0.7° | 0.0° |
| N23 | C17 | C18 | C12 | 179.4° | 180.0° |
| C17 | N23 | C19 | C16 | 0.0° | 0.1° |
| C17 | N23 | C19 | O25 | 179.5° | 179.9° |
| C17 | N23 | C20 | H202 | 180.0° | 90.0° |
| C17 | N23 | C20 | H203 | 60.0° | 150.0° |
| C17 | N23 | C20 | H201 | 60.0° | 30.0° |
| C20 | N23 | C19 | C16 | 177.0° | 179.9° |
| C20 | N23 | C19 | O25 | 3.4° | 0.0° |
| C20 | N23 | C17 | H17 | 3.7° | 0.0° |
| N23 | C20 | H202 | H203 | 120.0° | 120.0° |
| N23 | C20 | H202 | H201 | 120.0° | 120.0° |
| N23 | C20 | H203 | H201 | 120.0° | 120.0° |
| C21 | S29 | N24 | O26 | 109.5° | 116.1° |
| C21 | S29 | N24 | O27 | 116.0° | 116.1° |
| C21 | S29 | O26 | O27 | 125.7° | 131.5° |
| S29 | C21 | H11 | H12 | 120.0° | 120.0° |
| S29 | C21 | H11 | H13 | 120.0° | 120.0° |
| S29 | C21 | H12 | H13 | 120.0° | 120.0° |
| C21 | S29 | N24 | H14 | 39.7° | 115.0° |
| C2 | C1 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C5 | H5 | 179.6° | 179.7° |
| C2 | C1 | C3 | H3 | 179.7° | 180.0° |
| C1 | C3 | C6 | H6 | 179.1° | 180.0° |
| C3 | C1 | C2 | H2 | 179.1° | 179.9° |
| C9 | C12 | C18 | C11 | 135.4° | 75.0° |
| C16 | C11 | C18 | C12 | 179.7° | 180.0° |
| C11 | C16 | C19 | N22 | 178.6° | 179.9° |
| C11 | C16 | C19 | N23 | 0.9° | 0.1° |
| C11 | C16 | C19 | O25 | 179.6° | 180.0° |
| C16 | C11 | C8 | H8 | 179.6° | 179.8° |
| C11 | C16 | N22 | H22 | 178.7° | 180.0° |
| C18 | C11 | C16 | C19 | 1.0° | 0.1° |
| C18 | C11 | C16 | N22 | 179.9° | 180.0° |
| C18 | C11 | C8 | H8 | 0.7° | 0.2° |
| C11 | C18 | C17 | H17 | 179.4° | 180.0° |
| C12 | C18 | C17 | H17 | 0.5° | 0.0° |
| C18 | C12 | C9 | H9 | 2.7° | 0.0° |
| O28 | C14 | C5 | H5 | 1.4° | 0.2° |
| O28 | C14 | C6 | H6 | 0.6° | 0.1° |
| C16 | C19 | N23 | O25 | 179.6° | 179.9° |
| C19 | C16 | N22 | H22 | 0.1° | 0.1° |
| N22 | C16 | C19 | N23 | 179.5° | 180.0° |
| N22 | C16 | C19 | O25 | 0.9° | 0.2° |
| C16 | N22 | C10 | H10 | 179.0° | 180.0° |
| C19 | N23 | C17 | H17 | 179.2° | 180.0° |
| C19 | N23 | C20 | H202 | 2.8° | 90.0° |
| C19 | N23 | C20 | H203 | 117.2° | 30.0° |
| C19 | N23 | C20 | H201 | 122.8° | 150.0° |
| N24 | S29 | O26 | O27 | 126.7° | 116.8° |
| N24 | S29 | C21 | H11 | 180.0° | 60.0° |
| N24 | S29 | C21 | H12 | 60.0° | 179.9° |
| N24 | S29 | C21 | H13 | 60.0° | 60.0° |
| O26 | S29 | C21 | H11 | 67.4° | 171.7° |
| O26 | S29 | C21 | H12 | 172.5° | 68.4° |
| O26 | S29 | C21 | H13 | 52.6° | 51.7° |
| O26 | S29 | N24 | H14 | 69.7° | 129.0° |
| O27 | S29 | C21 | H11 | 65.6° | 51.6° |
| O27 | S29 | C21 | H12 | 54.4° | 68.3° |
| O27 | S29 | C21 | H13 | 174.4° | 171.6° |
| O27 | S29 | N24 | H14 | 155.7° | 1.1° |
| H4 | C4 | C7 | H7 | 0.3° | 0.3° |
| H5 | C5 | C2 | H2 | 0.4° | 0.4° |
| H6 | C6 | C3 | H3 | 0.9° | 0.0° |
| H8 | C8 | C10 | H10 | 0.3° | 0.2° |
| H10 | C10 | N22 | H22 | 1.0° | 0.0° |
| H202 | C20 | H203 | H201 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 1.0° | 0.0° |
| H1 | C1 | C3 | H3 | 0.3° | 0.1° |
| H11 | C21 | H12 | H13 | 119.9° | 120.0° |
