7OM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C2 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| O9 | C1 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | N4 | sing | 1.47Å | 1.45Å | |
| C1 | N8 | sing | 1.35Å | 1.37Å | |
| C3 | N4 | sing | 1.47Å | 1.45Å | |
| C25 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C25 | C20 | sing | 1.40Å | 1.37Å | Aromatic |
| N4 | C18 | sing | 1.38Å | 1.37Å | |
| N8 | C20 | sing | 1.40Å | 1.40Å | |
| C24 | C23 | sing | 1.41Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C15 | doub | 1.38Å | 1.33Å | Aromatic |
| C18 | N10 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.47Å | Aromatic |
| C23 | C29 | doub | 1.40Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.42Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.36Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.38Å | Aromatic |
| N10 | N14 | sing | 1.40Å | 1.34Å | Aromatic |
| N10 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C22 | C26 | doub | 1.41Å | 1.38Å | Aromatic |
| N14 | C13 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.50Å | |
| C16 | N17 | doub | 1.32Å | 1.29Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | N17 | sing | 1.34Å | 1.35Å | Aromatic |
| C11 | N12 | doub | 1.33Å | 1.32Å | Aromatic |
| C26 | C27 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | N12 | sing | 1.33Å | 1.37Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| N8 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C2 | 112.9° | 109.5° |
| C7 | C6 | C5 | 110.9° | 109.3° |
| C7 | C6 | H3 | 109.1° | 109.5° |
| C7 | C6 | H4 | 109.1° | 109.5° |
| C6 | C7 | H5 | 108.6° | 109.5° |
| C6 | C7 | H6 | 108.6° | 109.5° |
| C7 | C2 | C1 | 108.7° | 109.5° |
| C7 | C2 | C3 | 115.1° | 109.3° |
| C2 | C7 | H5 | 108.6° | 109.5° |
| C2 | C7 | H6 | 108.6° | 109.5° |
| C7 | C2 | H18 | 108.2° | 109.5° |
| C6 | C5 | N4 | 112.2° | 108.8° |
| C6 | C5 | H1 | 108.8° | 109.6° |
| C6 | C5 | H2 | 108.8° | 109.8° |
| C5 | C6 | H3 | 109.1° | 109.5° |
| C5 | C6 | H4 | 109.1° | 109.5° |
| O9 | C1 | C2 | 123.2° | 120.0° |
| O9 | C1 | N8 | 124.8° | 120.1° |
| C1 | C2 | C3 | 108.2° | 109.5° |
| C2 | C1 | N8 | 112.0° | 120.0° |
| C1 | C2 | H18 | 108.4° | 109.5° |
| C2 | C3 | N4 | 115.4° | 108.7° |
| C2 | C3 | H16 | 108.0° | 109.6° |
| C2 | C3 | H17 | 108.0° | 109.7° |
| C3 | C2 | H18 | 108.1° | 109.5° |
| C5 | N4 | C3 | 117.5° | 118.7° |
| C5 | N4 | C18 | 117.1° | 120.7° |
| N4 | C5 | H1 | 108.8° | 109.6° |
| N4 | C5 | H2 | 108.8° | 109.6° |
| C1 | N8 | C20 | 117.0° | 120.0° |
| C1 | N8 | H22 | 121.5° | 120.1° |
| C3 | N4 | C18 | 120.3° | 120.6° |
| N4 | C3 | H16 | 108.0° | 109.6° |
| N4 | C3 | H17 | 108.0° | 109.6° |
| C24 | C25 | C20 | 119.1° | 120.9° |
| C25 | C24 | C23 | 121.0° | 119.9° |
| C25 | C24 | H10 | 119.5° | 120.1° |
| C24 | C25 | H15 | 120.4° | 119.5° |
| C25 | C20 | N8 | 118.9° | 119.7° |
| C25 | C20 | C21 | 120.5° | 120.7° |
| C20 | C25 | H15 | 120.4° | 119.6° |
| N4 | C18 | C15 | 122.8° | 120.6° |
| N4 | C18 | N10 | 119.1° | 120.6° |
| N8 | C20 | C21 | 120.7° | 119.6° |
| C20 | N8 | H22 | 121.5° | 120.0° |
| C24 | C23 | C29 | 120.4° | 121.2° |
| C24 | C23 | C22 | 119.7° | 119.5° |
| C23 | C24 | H10 | 119.5° | 120.0° |
| C20 | C21 | C22 | 120.2° | 119.5° |
| C20 | C21 | H9 | 119.9° | 120.3° |
| C15 | C18 | N10 | 118.0° | 118.7° |
| C18 | C15 | C16 | 116.7° | 119.0° |
| C18 | C15 | H8 | 121.7° | 120.5° |
| C18 | N10 | N14 | 127.7° | 133.4° |
| C18 | N10 | C11 | 122.5° | 120.2° |
| C15 | C16 | C19 | 116.8° | 119.8° |
| C15 | C16 | N17 | 124.8° | 120.4° |
| C16 | C15 | H8 | 121.6° | 120.5° |
| C29 | C23 | C22 | 119.9° | 119.3° |
| C23 | C29 | C28 | 120.4° | 119.7° |
| C23 | C29 | H14 | 119.8° | 120.2° |
| C23 | C22 | C21 | 119.5° | 119.5° |
| C23 | C22 | C26 | 119.5° | 119.4° |
| C29 | C28 | C27 | 119.8° | 121.1° |
| C29 | C28 | H12 | 120.2° | 119.5° |
| C28 | C29 | H14 | 119.8° | 120.2° |
| C21 | C22 | C26 | 121.0° | 121.2° |
| C22 | C21 | H9 | 119.9° | 120.2° |
| N14 | N10 | C11 | 109.8° | 106.4° |
| N10 | N14 | C13 | 102.5° | 107.0° |
| N10 | C11 | N17 | 121.3° | 120.4° |
| N10 | C11 | N12 | 110.3° | 107.2° |
| C22 | C26 | C27 | 120.5° | 119.7° |
| C22 | C26 | H11 | 119.7° | 120.2° |
| N14 | C13 | N12 | 114.9° | 109.6° |
| N14 | C13 | H7 | 122.6° | 125.1° |
| C19 | C16 | N17 | 118.4° | 119.8° |
| C16 | C19 | H19 | 109.5° | 109.5° |
| C16 | C19 | H20 | 109.5° | 109.5° |
| C16 | C19 | H21 | 109.5° | 109.5° |
| C16 | N17 | C11 | 116.7° | 121.2° |
| C28 | C27 | C26 | 119.9° | 120.9° |
| C27 | C28 | H12 | 120.1° | 119.5° |
| C28 | C27 | H13 | 120.0° | 119.5° |
| N17 | C11 | N12 | 128.4° | 132.4° |
| C11 | N12 | C13 | 102.4° | 109.7° |
| C27 | C26 | H11 | 119.7° | 120.1° |
| C26 | C27 | H13 | 120.0° | 119.6° |
| N12 | C13 | H7 | 122.5° | 125.2° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.6° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C2 | H5 | 120.5° | 120.1° |
| C6 | C7 | C2 | H6 | 120.5° | 120.0° |
| C7 | C6 | C5 | H3 | 120.2° | 120.0° |
| C7 | C6 | C5 | H4 | 120.2° | 120.0° |
| C6 | C7 | C2 | C1 | 79.5° | 178.7° |
| C6 | C7 | C2 | C3 | 42.0° | 61.4° |
| C7 | C6 | C5 | N4 | 55.2° | 54.7° |
| C7 | C6 | C5 | H1 | 175.6° | 65.1° |
| C7 | C6 | C5 | H2 | 65.2° | 174.5° |
| C7 | C6 | H3 | H4 | 119.4° | 120.1° |
| C6 | C7 | H5 | H6 | 118.4° | 120.0° |
| C6 | C7 | C2 | H18 | 163.0° | 58.6° |
| C2 | C7 | C6 | C5 | 51.6° | 61.4° |
| C7 | C2 | C1 | O9 | 31.0° | 120.0° |
| C7 | C2 | C1 | C3 | 125.6° | 119.8° |
| C7 | C2 | C1 | H18 | 117.3° | 120.1° |
| C7 | C2 | C3 | H18 | 121.0° | 120.0° |
| C7 | C2 | C1 | N8 | 149.4° | 60.0° |
| C7 | C2 | C3 | N4 | 35.3° | 54.7° |
| C2 | C7 | C6 | H3 | 68.6° | 58.6° |
| C2 | C7 | C6 | H4 | 171.8° | 178.7° |
| C2 | C7 | H5 | H6 | 118.4° | 120.0° |
| C7 | C2 | C3 | H16 | 85.6° | 174.4° |
| C7 | C2 | C3 | H17 | 156.1° | 65.2° |
| C6 | C5 | N4 | H1 | 120.4° | 119.8° |
| C6 | C5 | N4 | H2 | 120.4° | 120.0° |
| C6 | C5 | N4 | C3 | 50.4° | 53.6° |
| C6 | C5 | N4 | C18 | 154.9° | 126.4° |
| C6 | C5 | H1 | H2 | 118.8° | 120.5° |
| C5 | C6 | H3 | H4 | 119.3° | 120.0° |
| C5 | C6 | C7 | H5 | 68.9° | 178.6° |
| C5 | C6 | C7 | H6 | 172.1° | 58.6° |
| O9 | C1 | C2 | N8 | 179.6° | 180.0° |
| O9 | C1 | C2 | C3 | 156.7° | 0.2° |
| O9 | C1 | N8 | C20 | 9.2° | 4.5° |
| O9 | C1 | C2 | H18 | 86.3° | 119.9° |
| O9 | C1 | N8 | H22 | 170.8° | 175.5° |
| C1 | C2 | C3 | H18 | 117.2° | 120.1° |
| C1 | C2 | C3 | N4 | 86.5° | 174.6° |
| C2 | C1 | N8 | C20 | 171.2° | 175.5° |
| C1 | C2 | C7 | H5 | 160.0° | 58.6° |
| C1 | C2 | C7 | H6 | 41.0° | 61.3° |
| C1 | C2 | C3 | H16 | 152.6° | 65.6° |
| C1 | C2 | C3 | H17 | 34.3° | 54.7° |
| C2 | C1 | N8 | H22 | 8.8° | 4.5° |
| C2 | C3 | N4 | C5 | 40.1° | 53.6° |
| C3 | C2 | C1 | N8 | 23.7° | 179.8° |
| C2 | C3 | N4 | H16 | 120.9° | 119.8° |
| C2 | C3 | N4 | H17 | 120.8° | 119.9° |
| C2 | C3 | N4 | C18 | 166.0° | 126.4° |
| C3 | C2 | C7 | H5 | 78.5° | 178.6° |
| C3 | C2 | C7 | H6 | 162.5° | 58.6° |
| C2 | C3 | H16 | H17 | 117.3° | 120.4° |
| C5 | N4 | C3 | C18 | 153.9° | 180.0° |
| C5 | N4 | C18 | C15 | 18.7° | 8.1° |
| C5 | N4 | C18 | N10 | 161.6° | 171.9° |
| N4 | C5 | H1 | H2 | 118.8° | 120.2° |
| N4 | C5 | C6 | H3 | 65.1° | 65.3° |
| N4 | C5 | C6 | H4 | 175.4° | 174.6° |
| C5 | N4 | C3 | H16 | 80.8° | 173.4° |
| C5 | N4 | C3 | H17 | 160.9° | 66.3° |
| C1 | N8 | C20 | C25 | 18.1° | 35.8° |
| C1 | N8 | C20 | H22 | 180.0° | 180.0° |
| C1 | N8 | C20 | C21 | 162.0° | 144.5° |
| N8 | C1 | C2 | H18 | 93.3° | 60.1° |
| C3 | N4 | C18 | C15 | 135.3° | 171.9° |
| C3 | N4 | C18 | N10 | 44.4° | 8.1° |
| C3 | N4 | C5 | H1 | 170.8° | 66.2° |
| C3 | N4 | C5 | H2 | 70.0° | 173.6° |
| N4 | C3 | H16 | H17 | 117.3° | 120.3° |
| N4 | C3 | C2 | H18 | 156.3° | 65.3° |
| C24 | C25 | C20 | H15 | 180.0° | 179.9° |
| C24 | C25 | C20 | N8 | 180.0° | 179.7° |
| C25 | C24 | C23 | H10 | 180.0° | 180.0° |
| C24 | C25 | C20 | C21 | 0.0° | 0.1° |
| C25 | C24 | C23 | C29 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.3° | 0.0° |
| C25 | C20 | N8 | C21 | 179.9° | 179.6° |
| C20 | C25 | C24 | C23 | 0.3° | 0.1° |
| C25 | C20 | C21 | C22 | 0.1° | 0.1° |
| C25 | C20 | C21 | H9 | 179.9° | 180.0° |
| C20 | C25 | C24 | H10 | 179.7° | 180.0° |
| C25 | C20 | N8 | H22 | 162.0° | 144.2° |
| N4 | C18 | C15 | N10 | 179.7° | 180.0° |
| N4 | C18 | C15 | C16 | 179.9° | 180.0° |
| N4 | C18 | N10 | N14 | 0.4° | 0.1° |
| N4 | C18 | N10 | C11 | 179.9° | 180.0° |
| C18 | N4 | C5 | H1 | 34.5° | 113.8° |
| C18 | N4 | C5 | H2 | 84.8° | 6.4° |
| N4 | C18 | C15 | H8 | 0.1° | 0.0° |
| C18 | N4 | C3 | H16 | 73.1° | 6.6° |
| C18 | N4 | C3 | H17 | 45.2° | 113.7° |
| N8 | C20 | C21 | C22 | 179.8° | 179.7° |
| N8 | C20 | C21 | H9 | 0.2° | 0.4° |
| N8 | C20 | C25 | H15 | 0.0° | 0.4° |
| C24 | C23 | C29 | C22 | 179.8° | 180.0° |
| C24 | C23 | C29 | C28 | 179.8° | 179.9° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | C26 | 179.9° | 180.0° |
| C24 | C23 | C29 | H14 | 0.2° | 0.0° |
| C23 | C24 | C25 | H15 | 179.8° | 179.9° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C20 | C21 | C22 | H9 | 180.0° | 180.0° |
| C20 | C21 | C22 | C26 | 179.8° | 180.0° |
| C21 | C20 | C25 | H15 | 180.0° | 180.0° |
| C21 | C20 | N8 | H22 | 18.0° | 35.5° |
| C18 | C15 | C16 | H8 | 180.0° | 179.9° |
| C15 | C18 | N10 | N14 | 179.9° | 180.0° |
| C15 | C18 | N10 | C11 | 0.4° | 0.0° |
| C18 | C15 | C16 | C19 | 179.6° | 180.0° |
| C18 | C15 | C16 | N17 | 0.5° | 0.1° |
| N10 | C18 | C15 | C16 | 0.4° | 0.0° |
| C18 | N10 | N14 | C11 | 179.6° | 180.0° |
| C18 | N10 | N14 | C13 | 179.9° | 180.0° |
| C18 | N10 | C11 | N17 | 0.4° | 0.0° |
| C18 | N10 | C11 | N12 | 180.0° | 180.0° |
| N10 | C18 | C15 | H8 | 179.6° | 180.0° |
| C15 | C16 | C19 | N17 | 179.9° | 179.9° |
| C15 | C16 | N17 | C11 | 0.5° | 0.1° |
| C15 | C16 | C19 | H19 | 179.9° | 90.0° |
| C15 | C16 | C19 | H20 | 60.1° | 150.0° |
| C15 | C16 | C19 | H21 | 59.9° | 30.0° |
| C23 | C29 | C28 | H14 | 180.0° | 179.9° |
| C29 | C23 | C22 | C21 | 180.0° | 180.0° |
| C29 | C23 | C22 | C26 | 0.2° | 0.0° |
| C23 | C29 | C28 | C27 | 0.1° | 0.1° |
| C29 | C23 | C24 | H10 | 0.1° | 0.0° |
| C23 | C29 | C28 | H12 | 179.9° | 180.0° |
| C22 | C23 | C29 | C28 | 0.0° | 0.1° |
| C23 | C22 | C21 | C26 | 179.9° | 180.0° |
| C23 | C22 | C26 | C27 | 0.1° | 0.0° |
| C23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C22 | C23 | C24 | H10 | 179.7° | 180.0° |
| C23 | C22 | C26 | H11 | 179.9° | 179.9° |
| C22 | C23 | C29 | H14 | 179.9° | 180.0° |
| C29 | C28 | C27 | H12 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.2° | 0.0° |
| C29 | C28 | C27 | H13 | 179.9° | 180.0° |
| C21 | C22 | C26 | C27 | 180.0° | 180.0° |
| C21 | C22 | C26 | H11 | 0.0° | 0.1° |
| N14 | N10 | C11 | N17 | 180.0° | 180.0° |
| N14 | N10 | C11 | N12 | 0.4° | 0.0° |
| N10 | N14 | C13 | N12 | 0.0° | 0.0° |
| N10 | N14 | C13 | H7 | 179.9° | 180.0° |
| C11 | N10 | N14 | C13 | 0.3° | 0.0° |
| N10 | C11 | N17 | C16 | 0.4° | 0.1° |
| N10 | C11 | N17 | N12 | 179.5° | 180.0° |
| N10 | C11 | N12 | C13 | 0.3° | 0.0° |
| C22 | C26 | C27 | C28 | 0.0° | 0.0° |
| C22 | C26 | C27 | H11 | 180.0° | 179.9° |
| C26 | C22 | C21 | H9 | 0.2° | 0.0° |
| C22 | C26 | C27 | H13 | 180.0° | 180.0° |
| N14 | C13 | N12 | C11 | 0.2° | 0.0° |
| N14 | C13 | N12 | H7 | 180.0° | 180.0° |
| C19 | C16 | N17 | C11 | 179.7° | 180.0° |
| C19 | C16 | C15 | H8 | 0.4° | 0.1° |
| C16 | C19 | H19 | H20 | 120.0° | 120.0° |
| C16 | C19 | H19 | H21 | 120.0° | 120.0° |
| C16 | C19 | H20 | H21 | 120.0° | 120.0° |
| C16 | N17 | C11 | N12 | 179.9° | 179.9° |
| N17 | C16 | C15 | H8 | 179.5° | 180.0° |
| N17 | C16 | C19 | H19 | 0.0° | 89.9° |
| N17 | C16 | C19 | H20 | 120.0° | 30.1° |
| N17 | C16 | C19 | H21 | 120.0° | 150.1° |
| C28 | C27 | C26 | H13 | 180.0° | 180.0° |
| C28 | C27 | C26 | H11 | 180.0° | 179.9° |
| C27 | C28 | C29 | H14 | 179.9° | 180.0° |
| N17 | C11 | N12 | C13 | 179.9° | 180.0° |
| C11 | N12 | C13 | H7 | 179.8° | 180.0° |
| C26 | C27 | C28 | H12 | 179.8° | 180.0° |
| H1 | C5 | C6 | H3 | 55.3° | 174.9° |
| H1 | C5 | C6 | H4 | 64.2° | 54.8° |
| H2 | C5 | C6 | H3 | 174.5° | 54.6° |
| H2 | C5 | C6 | H4 | 55.0° | 65.5° |
| H3 | C6 | C7 | H5 | 170.9° | 61.4° |
| H3 | C6 | C7 | H6 | 51.9° | 178.6° |
| H4 | C6 | C7 | H5 | 51.3° | 58.7° |
| H4 | C6 | C7 | H6 | 67.7° | 61.3° |
| H5 | C7 | C2 | H18 | 42.5° | 61.4° |
| H6 | C7 | C2 | H18 | 76.5° | 178.6° |
| H10 | C24 | C25 | H15 | 0.3° | 0.1° |
| H11 | C26 | C27 | H13 | 0.0° | 0.1° |
| H12 | C28 | C27 | H13 | 0.1° | 0.0° |
| H12 | C28 | C29 | H14 | 0.1° | 0.0° |
| H16 | C3 | C2 | H18 | 35.4° | 54.4° |
| H17 | C3 | C2 | H18 | 82.9° | 174.8° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
