SM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.42Å | 1.40Å | Aromatic |
| C1 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.48Å | 1.47Å | |
| C7 | C2 | sing | 1.48Å | 1.46Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.35Å | Aromatic |
| C13 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | C6 | doub | 1.40Å | 1.42Å | |
| C6 | C19 | sing | 1.39Å | 1.42Å | |
| C12 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | C9 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C18 | sing | 1.53Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | N16 | sing | 1.47Å | 1.49Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | N16 | sing | 1.47Å | 1.48Å | |
| N16 | HN16 | sing | 1.01Å | 1.00Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.38Å | 1.41Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.42Å | 1.41Å | |
| C21 | C24 | doub | 1.48Å | 1.44Å | |
| C26 | C22 | doub | 1.46Å | 1.56Å | |
| C23 | C22 | sing | 1.40Å | 1.41Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | sing | 1.42Å | 1.36Å | |
| C24 | N27 | sing | 1.32Å | 1.32Å | |
| C26 | C25 | sing | 1.39Å | 1.52Å | |
| C25 | C29 | doub | 1.42Å | 1.39Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N28 | N27 | doub | 1.28Å | 1.37Å | |
| C29 | N28 | sing | 1.32Å | 1.39Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 105.7° | 107.5° |
| C2 | C1 | C6 | 130.4° | 126.3° |
| C1 | C2 | C7 | 127.0° | 126.1° |
| C1 | C2 | N3 | 111.8° | 107.9° |
| C5 | C1 | C6 | 123.9° | 126.2° |
| C1 | C5 | N4 | 105.3° | 107.8° |
| C1 | C5 | H5 | 127.3° | 126.1° |
| C1 | C6 | C23 | 121.8° | 119.9° |
| C1 | C6 | C19 | 117.8° | 119.9° |
| C7 | C2 | N3 | 121.2° | 126.1° |
| C2 | C7 | C12 | 119.4° | 121.0° |
| C2 | C7 | C8 | 121.6° | 120.9° |
| C2 | N3 | N4 | 105.5° | 108.4° |
| N3 | N4 | C13 | 118.9° | 125.7° |
| N3 | N4 | C5 | 111.7° | 108.5° |
| C13 | N4 | C5 | 129.4° | 125.8° |
| N4 | C13 | C14 | 113.3° | 109.5° |
| N4 | C13 | C18 | 110.8° | 109.5° |
| N4 | C13 | H13 | 107.1° | 109.5° |
| N4 | C5 | H5 | 127.3° | 126.1° |
| C23 | C6 | C19 | 120.4° | 120.2° |
| C6 | C23 | C22 | 118.5° | 119.6° |
| C6 | C23 | H23 | 120.7° | 120.2° |
| C6 | C19 | C20 | 121.7° | 120.4° |
| C6 | C19 | H19 | 119.2° | 119.8° |
| C12 | C7 | C8 | 119.0° | 118.2° |
| C7 | C12 | C11 | 118.7° | 119.1° |
| C7 | C12 | H12 | 120.6° | 120.4° |
| C7 | C8 | C9 | 118.3° | 119.0° |
| C7 | C8 | H8 | 120.8° | 120.5° |
| C9 | C8 | H8 | 120.8° | 120.5° |
| C8 | C9 | N10 | 122.4° | 120.9° |
| C8 | C9 | H9 | 118.8° | 119.5° |
| N10 | C9 | H9 | 118.8° | 119.5° |
| C9 | N10 | C11 | 119.4° | 122.0° |
| N10 | C11 | C12 | 122.1° | 120.9° |
| N10 | C11 | H11 | 118.9° | 119.5° |
| C12 | C11 | H11 | 118.9° | 119.6° |
| C11 | C12 | H12 | 120.7° | 120.5° |
| C14 | C13 | C18 | 112.9° | 109.1° |
| C14 | C13 | H13 | 104.7° | 109.5° |
| C13 | C14 | C15 | 112.8° | 109.3° |
| C13 | C14 | H14 | 108.4° | 109.5° |
| C13 | C14 | H14A | 108.4° | 109.5° |
| C18 | C13 | H13 | 107.5° | 109.6° |
| C13 | C18 | C17 | 113.2° | 109.3° |
| C13 | C18 | H18 | 108.3° | 109.4° |
| C13 | C18 | H18A | 108.3° | 109.5° |
| C15 | C14 | H14 | 108.4° | 109.5° |
| C15 | C14 | H14A | 108.4° | 109.6° |
| C14 | C15 | N16 | 111.9° | 109.5° |
| C14 | C15 | H15 | 108.6° | 109.5° |
| C14 | C15 | H15A | 108.7° | 109.5° |
| H14 | C14 | H14A | 110.6° | 109.5° |
| N16 | C15 | H15 | 108.7° | 109.5° |
| N16 | C15 | H15A | 108.7° | 109.5° |
| C15 | N16 | C17 | 114.6° | 111.2° |
| C15 | N16 | HN16 | 107.8° | 111.0° |
| H15 | C15 | H15A | 110.3° | 109.5° |
| C17 | N16 | HN16 | 107.8° | 111.0° |
| N16 | C17 | C18 | 111.7° | 109.5° |
| N16 | C17 | H17 | 108.7° | 109.4° |
| N16 | C17 | H17A | 108.7° | 109.5° |
| C18 | C17 | H17 | 108.7° | 109.5° |
| C18 | C17 | H17A | 108.7° | 109.5° |
| C17 | C18 | H18 | 108.3° | 109.5° |
| C17 | C18 | H18A | 108.2° | 109.5° |
| H17 | C17 | H17A | 110.2° | 109.4° |
| H18 | C18 | H18A | 110.7° | 109.6° |
| C20 | C19 | H19 | 119.2° | 119.8° |
| C19 | C20 | C21 | 116.5° | 120.2° |
| C19 | C20 | H20 | 121.8° | 119.9° |
| C21 | C20 | H20 | 121.7° | 119.9° |
| C20 | C21 | C22 | 123.2° | 120.0° |
| C20 | C21 | C24 | 129.9° | 133.0° |
| C22 | C21 | C24 | 107.0° | 107.0° |
| C21 | C22 | C26 | 114.4° | 107.6° |
| C21 | C22 | C23 | 119.7° | 119.6° |
| C21 | C24 | C25 | 106.7° | 107.4° |
| C21 | C24 | N27 | 137.1° | 146.1° |
| C26 | C22 | C23 | 125.8° | 132.8° |
| C22 | C26 | C25 | 93.5° | 108.9° |
| C22 | C26 | H26 | 133.3° | 125.6° |
| C22 | C23 | H23 | 120.7° | 120.2° |
| C25 | C24 | N27 | 116.2° | 106.5° |
| C24 | C25 | C26 | 118.4° | 109.1° |
| C24 | C25 | C29 | 105.3° | 104.4° |
| C24 | N27 | N28 | 100.9° | 111.3° |
| C26 | C25 | C29 | 136.3° | 146.5° |
| C25 | C26 | H26 | 133.2° | 125.6° |
| C25 | C29 | N28 | 103.6° | 106.4° |
| C25 | C29 | H29 | 128.2° | 126.8° |
| N27 | N28 | C29 | 113.9° | 111.4° |
| N28 | C29 | H29 | 128.2° | 126.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | C6 | 179.5° | 179.8° |
| C1 | C2 | C7 | N3 | 179.8° | 180.0° |
| C1 | C2 | N3 | N4 | 0.0° | 0.0° |
| C2 | C1 | C5 | N4 | 0.2° | 0.0° |
| C2 | C1 | C5 | H5 | 179.7° | 179.7° |
| C2 | C1 | C6 | C23 | 47.6° | 105.0° |
| C2 | C1 | C6 | C19 | 132.7° | 75.2° |
| C1 | C2 | C7 | C12 | 129.0° | 35.3° |
| C1 | C2 | C7 | C8 | 53.0° | 145.0° |
| C5 | C1 | C2 | C7 | 179.7° | 180.0° |
| C5 | C1 | C2 | N3 | 0.1° | 0.0° |
| C1 | C5 | N4 | N3 | 0.3° | 0.0° |
| C1 | C5 | N4 | C13 | 179.8° | 180.0° |
| C1 | C5 | N4 | H5 | 180.0° | 179.7° |
| C5 | C1 | C6 | C23 | 133.1° | 74.7° |
| C5 | C1 | C6 | C19 | 46.6° | 105.0° |
| C6 | C1 | C2 | C7 | 0.3° | 0.2° |
| C6 | C1 | C2 | N3 | 179.5° | 179.8° |
| C6 | C1 | C5 | N4 | 179.7° | 179.8° |
| C6 | C1 | C5 | H5 | 0.3° | 0.1° |
| C1 | C6 | C23 | C19 | 179.8° | 179.8° |
| C1 | C6 | C19 | C20 | 179.9° | 180.0° |
| C1 | C6 | C19 | H19 | 0.1° | 0.0° |
| C1 | C6 | C23 | C22 | 179.8° | 179.7° |
| C1 | C6 | C23 | H23 | 0.2° | 0.0° |
| C7 | C2 | N3 | N4 | 179.8° | 180.0° |
| C2 | C7 | C12 | C8 | 178.1° | 179.8° |
| C2 | C7 | C8 | C9 | 179.2° | 180.0° |
| C2 | C7 | C8 | H8 | 0.8° | 0.1° |
| C2 | C7 | C12 | C11 | 179.0° | 179.7° |
| C2 | C7 | C12 | H12 | 1.0° | 0.2° |
| C2 | N3 | N4 | C13 | 179.8° | 180.0° |
| C2 | N3 | N4 | C5 | 0.2° | 0.0° |
| N3 | C2 | C7 | C12 | 51.2° | 144.7° |
| N3 | C2 | C7 | C8 | 126.8° | 35.0° |
| N3 | N4 | C13 | C5 | 179.5° | 180.0° |
| N3 | N4 | C5 | H5 | 179.7° | 179.7° |
| N3 | N4 | C13 | C14 | 176.6° | 95.0° |
| N3 | N4 | C13 | C18 | 48.5° | 145.4° |
| N3 | N4 | C13 | H13 | 68.5° | 25.2° |
| C13 | N4 | C5 | H5 | 0.2° | 0.3° |
| N4 | C13 | C14 | C18 | 126.9° | 119.9° |
| N4 | C13 | C14 | H13 | 116.4° | 120.1° |
| N4 | C13 | C18 | H13 | 116.8° | 120.2° |
| N4 | C13 | C14 | C15 | 173.0° | 177.5° |
| N4 | C13 | C14 | H14 | 53.0° | 57.6° |
| N4 | C13 | C14 | H14A | 67.0° | 62.5° |
| N4 | C13 | C18 | C17 | 174.3° | 177.5° |
| N4 | C13 | C18 | H18 | 65.7° | 62.5° |
| N4 | C13 | C18 | H18A | 54.3° | 57.6° |
| C5 | N4 | C13 | C14 | 2.9° | 85.0° |
| C5 | N4 | C13 | C18 | 131.0° | 34.6° |
| C5 | N4 | C13 | H13 | 112.0° | 154.9° |
| C23 | C6 | C19 | C20 | 0.1° | 0.3° |
| C23 | C6 | C19 | H19 | 179.9° | 179.7° |
| C6 | C23 | C22 | C21 | 0.0° | 0.5° |
| C6 | C23 | C22 | C26 | 180.0° | 179.9° |
| C6 | C23 | C22 | H23 | 180.0° | 179.7° |
| C6 | C19 | C20 | H19 | 180.0° | 180.0° |
| C6 | C19 | C20 | C21 | 0.1° | 0.0° |
| C6 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C6 | C23 | C22 | 0.1° | 0.5° |
| C19 | C6 | C23 | H23 | 179.9° | 179.8° |
| C12 | C7 | C8 | C9 | 1.1° | 0.3° |
| C12 | C7 | C8 | H8 | 178.8° | 179.8° |
| C7 | C12 | C11 | N10 | 0.3° | 0.6° |
| C7 | C12 | C11 | H12 | 180.0° | 179.5° |
| C7 | C12 | C11 | H11 | 179.7° | 179.8° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | N10 | 0.7° | 0.0° |
| C7 | C8 | C9 | H9 | 179.3° | 180.0° |
| C8 | C7 | C12 | C11 | 1.0° | 0.5° |
| C8 | C7 | C12 | H12 | 179.0° | 180.0° |
| C8 | C9 | N10 | H9 | 180.0° | 180.0° |
| C8 | C9 | N10 | C11 | 0.0° | 0.1° |
| H8 | C8 | C9 | N10 | 179.3° | 179.9° |
| H8 | C8 | C9 | H9 | 0.7° | 0.1° |
| C9 | N10 | C11 | C12 | 0.2° | 0.3° |
| C9 | N10 | C11 | H11 | 179.8° | 179.9° |
| H9 | C9 | N10 | C11 | 180.0° | 179.9° |
| N10 | C11 | C12 | H11 | 180.0° | 179.6° |
| N10 | C11 | C12 | H12 | 179.7° | 179.9° |
| H11 | C11 | C12 | H12 | 0.3° | 0.3° |
| C14 | C13 | C18 | H13 | 115.0° | 119.9° |
| C13 | C14 | C15 | H14 | 120.0° | 119.9° |
| C13 | C14 | C15 | H14A | 120.0° | 119.9° |
| C13 | C14 | H14 | H14A | 118.6° | 120.0° |
| C13 | C14 | C15 | N16 | 50.1° | 59.2° |
| C13 | C14 | C15 | H15 | 170.1° | 179.2° |
| C13 | C14 | C15 | H15A | 69.9° | 60.8° |
| C14 | C13 | C18 | C17 | 46.0° | 57.7° |
| C14 | C13 | C18 | H18 | 166.1° | 177.6° |
| C14 | C13 | C18 | H18A | 73.9° | 62.3° |
| C18 | C13 | C14 | C15 | 46.1° | 57.7° |
| C18 | C13 | C14 | H14 | 73.9° | 62.3° |
| C18 | C13 | C14 | H14A | 166.1° | 177.7° |
| C13 | C18 | C17 | N16 | 49.7° | 59.2° |
| C13 | C18 | C17 | H18 | 120.0° | 119.9° |
| C13 | C18 | C17 | H18A | 120.0° | 120.0° |
| C13 | C18 | C17 | H17 | 169.7° | 179.3° |
| C13 | C18 | C17 | H17A | 70.3° | 60.8° |
| C13 | C18 | H18 | H18A | 118.5° | 120.1° |
| H13 | C13 | C14 | C15 | 70.6° | 62.3° |
| H13 | C13 | C14 | H14 | 169.4° | 177.7° |
| H13 | C13 | C14 | H14A | 49.4° | 57.7° |
| H13 | C13 | C18 | C17 | 69.0° | 62.3° |
| H13 | C13 | C18 | H18 | 51.0° | 57.7° |
| H13 | C13 | C18 | H18A | 171.0° | 177.8° |
| C15 | C14 | H14 | H14A | 118.6° | 120.1° |
| C14 | C15 | N16 | H15 | 120.0° | 120.0° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.0° | 120.0° |
| C14 | C15 | N16 | C17 | 55.6° | 61.7° |
| C14 | C15 | N16 | HN16 | 64.4° | 62.4° |
| H14 | C14 | C15 | N16 | 69.9° | 60.7° |
| H14 | C14 | C15 | H15 | 50.1° | 59.3° |
| H14 | C14 | C15 | H15A | 170.1° | 179.3° |
| H14A | C14 | C15 | N16 | 170.0° | 179.1° |
| H14A | C14 | C15 | H15 | 70.0° | 60.8° |
| H14A | C14 | C15 | H15A | 50.0° | 59.1° |
| N16 | C15 | H15 | H15A | 119.0° | 120.0° |
| C15 | N16 | C17 | HN16 | 120.0° | 124.1° |
| C15 | N16 | C17 | C18 | 55.2° | 61.8° |
| C15 | N16 | C17 | H17 | 175.2° | 178.2° |
| C15 | N16 | C17 | H17A | 64.8° | 58.3° |
| H15 | C15 | N16 | C17 | 175.5° | 178.2° |
| H15 | C15 | N16 | HN16 | 55.5° | 57.7° |
| H15A | C15 | N16 | C17 | 64.4° | 58.3° |
| H15A | C15 | N16 | HN16 | 175.6° | 177.6° |
| N16 | C17 | C18 | H17 | 120.0° | 120.0° |
| N16 | C17 | C18 | H17A | 120.0° | 120.1° |
| N16 | C17 | H17 | H17A | 119.1° | 119.9° |
| N16 | C17 | C18 | H18 | 169.7° | 179.1° |
| N16 | C17 | C18 | H18A | 70.3° | 60.7° |
| HN16 | N16 | C17 | C18 | 64.8° | 62.3° |
| HN16 | N16 | C17 | H17 | 55.2° | 57.7° |
| HN16 | N16 | C17 | H17A | 175.2° | 177.6° |
| C18 | C17 | H17 | H17A | 119.1° | 120.0° |
| C17 | C18 | H18 | H18A | 118.5° | 120.1° |
| H17 | C17 | C18 | H18 | 70.3° | 60.9° |
| H17 | C17 | C18 | H18A | 49.7° | 59.3° |
| H17A | C17 | C18 | H18 | 49.7° | 59.1° |
| H17A | C17 | C18 | H18A | 169.7° | 179.2° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | C24 | 180.0° | 180.0° |
| H19 | C19 | C20 | C21 | 179.9° | 180.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| C20 | C21 | C22 | C24 | 180.0° | 180.0° |
| C20 | C21 | C22 | C26 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.2° |
| C20 | C21 | C24 | C25 | 180.0° | 180.0° |
| C20 | C21 | C24 | N27 | 0.0° | 0.0° |
| H20 | C20 | C21 | C22 | 180.0° | 180.0° |
| H20 | C20 | C21 | C24 | 0.0° | 0.1° |
| C21 | C22 | C26 | C23 | 180.0° | 179.7° |
| C21 | C22 | C23 | H23 | 180.0° | 179.8° |
| C22 | C21 | C24 | C25 | 0.0° | 0.0° |
| C22 | C21 | C24 | N27 | 180.0° | 180.0° |
| C21 | C22 | C26 | C25 | 0.0° | 0.0° |
| C21 | C22 | C26 | H26 | 180.0° | 180.0° |
| C24 | C21 | C22 | C26 | 0.0° | 0.0° |
| C24 | C21 | C22 | C23 | 180.0° | 179.7° |
| C21 | C24 | C25 | N27 | 180.0° | 180.0° |
| C21 | C24 | C25 | C26 | 0.0° | 0.0° |
| C21 | C24 | C25 | C29 | 180.0° | 180.0° |
| C21 | C24 | N27 | N28 | 180.0° | 180.0° |
| C26 | C22 | C23 | H23 | 0.0° | 0.2° |
| C22 | C26 | C25 | C24 | 0.0° | 0.0° |
| C22 | C26 | C25 | H26 | 180.0° | 180.0° |
| C22 | C26 | C25 | C29 | 180.0° | 180.0° |
| C23 | C22 | C26 | C25 | 180.0° | 179.7° |
| C23 | C22 | C26 | H26 | 0.0° | 0.3° |
| C24 | C25 | C26 | C29 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C24 | N27 | N28 | 0.1° | 0.0° |
| C24 | C25 | C29 | N28 | 0.0° | 0.0° |
| C24 | C25 | C29 | H29 | 180.0° | 180.0° |
| N27 | C24 | C25 | C26 | 180.0° | 180.0° |
| N27 | C24 | C25 | C29 | 0.0° | 0.0° |
| C24 | N27 | N28 | C29 | 0.1° | 0.0° |
| C26 | C25 | C29 | N28 | 180.0° | 180.0° |
| C26 | C25 | C29 | H29 | 0.0° | 0.0° |
| C29 | C25 | C26 | H26 | 0.0° | 0.0° |
| C25 | C29 | N28 | N27 | 0.1° | 0.0° |
| C25 | C29 | N28 | H29 | 180.0° | 180.0° |
| N27 | N28 | C29 | H29 | 179.9° | 180.0° |
