SWN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.34Å | 1.37Å | Aromatic |
| C8 | N | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | C13 | sing | 1.46Å | 1.43Å | Aromatic |
| N | C9 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N1 | C10 | doub | 1.31Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C14 | sing | 1.49Å | 1.48Å | |
| C14 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N3 | C16 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| C19 | N4 | sing | 1.47Å | 1.49Å | |
| C17 | C21 | sing | 1.53Å | 1.52Å | |
| N4 | C20 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H14 | sing | 1.01Å | 1.00Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| N | H19 | sing | 0.97Å | 1.00Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 120.3° | 120.0° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C4 | C3 | H2 | 119.9° | 120.0° |
| C3 | C4 | H24 | 120.2° | 120.0° |
| C3 | C2 | C1 | 120.6° | 120.0° |
| C3 | C2 | H1 | 119.7° | 120.0° |
| C2 | C3 | H2 | 119.8° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H23 | 119.9° | 120.0° |
| C5 | C4 | H24 | 120.2° | 120.0° |
| C2 | C1 | C6 | 118.4° | 120.0° |
| C2 | C1 | C | 120.9° | 120.0° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C5 | C6 | C1 | 120.8° | 120.0° |
| C5 | C6 | H22 | 119.6° | 120.0° |
| C6 | C5 | H23 | 119.9° | 120.0° |
| C6 | C1 | C | 120.7° | 120.0° |
| C1 | C6 | H22 | 119.6° | 120.0° |
| C1 | C | C7 | 117.7° | 109.4° |
| C1 | C | H20 | 107.4° | 109.4° |
| C1 | C | H21 | 107.4° | 109.5° |
| C | C7 | C8 | 127.9° | 126.5° |
| C | C7 | C13 | 126.1° | 126.6° |
| C7 | C | H20 | 107.4° | 109.5° |
| C7 | C | H21 | 107.4° | 109.5° |
| C7 | C8 | N | 110.2° | 109.9° |
| C8 | C7 | C13 | 106.0° | 106.9° |
| C7 | C8 | H3 | 124.9° | 125.0° |
| C8 | N | C9 | 108.3° | 110.0° |
| N | C8 | H3 | 124.9° | 125.0° |
| C8 | N | H19 | 125.8° | 125.0° |
| C7 | C13 | C9 | 107.1° | 106.2° |
| C7 | C13 | C12 | 135.2° | 134.2° |
| N | C9 | C13 | 108.4° | 106.9° |
| N | C9 | N1 | 125.5° | 133.0° |
| C9 | N | H19 | 125.8° | 125.0° |
| C9 | C13 | C12 | 117.7° | 119.6° |
| C13 | C9 | N1 | 126.1° | 120.0° |
| C13 | C12 | C11 | 118.3° | 117.9° |
| C13 | C12 | H5 | 120.8° | 121.1° |
| C9 | N1 | C10 | 114.6° | 121.8° |
| C12 | C11 | C10 | 118.5° | 119.2° |
| C12 | C11 | C14 | 120.4° | 120.4° |
| C11 | C12 | H5 | 120.9° | 121.0° |
| C14 | C15 | N2 | 112.0° | 108.1° |
| C15 | C14 | C11 | 130.0° | 126.2° |
| C15 | C14 | C16 | 104.2° | 107.6° |
| C14 | C15 | H6 | 124.0° | 126.0° |
| C15 | N2 | N3 | 104.2° | 108.5° |
| N2 | C15 | H6 | 124.0° | 125.9° |
| N1 | C10 | C11 | 124.8° | 121.5° |
| N1 | C10 | H4 | 117.6° | 119.3° |
| C10 | C11 | C14 | 121.1° | 120.5° |
| C11 | C10 | H4 | 117.6° | 119.3° |
| C11 | C14 | C16 | 125.7° | 126.2° |
| C14 | C16 | N3 | 107.1° | 107.6° |
| C14 | C16 | H7 | 126.4° | 126.2° |
| N2 | N3 | C16 | 112.5° | 108.2° |
| N2 | N3 | C17 | 123.7° | 125.9° |
| C19 | C18 | C17 | 110.0° | 109.3° |
| C18 | C19 | N4 | 110.6° | 109.5° |
| C18 | C19 | H8 | 109.2° | 109.4° |
| C18 | C19 | H9 | 109.2° | 109.5° |
| C19 | C18 | H16 | 109.3° | 109.5° |
| C19 | C18 | H17 | 109.3° | 109.5° |
| C18 | C17 | N3 | 116.5° | 109.5° |
| C18 | C17 | C21 | 111.8° | 109.1° |
| C17 | C18 | H16 | 109.3° | 109.5° |
| C17 | C18 | H17 | 109.3° | 109.5° |
| C18 | C17 | H18 | 103.7° | 109.5° |
| C16 | N3 | C17 | 123.8° | 125.9° |
| N3 | C16 | H7 | 126.4° | 126.2° |
| N3 | C17 | C21 | 115.0° | 109.5° |
| N3 | C17 | H18 | 104.3° | 109.6° |
| C19 | N4 | C20 | 111.8° | 111.2° |
| N4 | C19 | H8 | 109.2° | 109.5° |
| N4 | C19 | H9 | 109.2° | 109.5° |
| C19 | N4 | H14 | 108.9° | 111.0° |
| C17 | C21 | C20 | 110.2° | 109.3° |
| C17 | C21 | H12 | 109.3° | 109.5° |
| C17 | C21 | H13 | 109.3° | 109.5° |
| C21 | C17 | H18 | 103.6° | 109.5° |
| N4 | C20 | C21 | 110.7° | 109.5° |
| N4 | C20 | H10 | 109.2° | 109.5° |
| N4 | C20 | H11 | 109.1° | 109.5° |
| C20 | N4 | H14 | 108.9° | 111.0° |
| C21 | C20 | H10 | 109.1° | 109.5° |
| C21 | C20 | H11 | 109.1° | 109.4° |
| C20 | C21 | H12 | 109.3° | 109.5° |
| C20 | C21 | H13 | 109.3° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.4° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | H24 | 180.0° | 179.6° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.7° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | H23 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.4° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | C | 179.7° | 179.7° |
| C2 | C3 | C4 | H24 | 179.8° | 180.0° |
| C4 | C5 | C6 | H23 | 180.0° | 179.3° |
| C4 | C5 | C6 | C1 | 0.0° | 0.7° |
| C5 | C4 | C3 | H2 | 179.8° | 179.7° |
| C4 | C5 | C6 | H22 | 180.0° | 179.4° |
| C2 | C1 | C6 | C5 | 0.1° | 0.4° |
| C2 | C1 | C6 | C | 179.6° | 179.7° |
| C2 | C1 | C | C7 | 82.5° | 90.2° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C | H20 | 156.3° | 29.7° |
| C2 | C1 | C | H21 | 38.6° | 149.7° |
| C2 | C1 | C6 | H22 | 179.8° | 179.8° |
| C5 | C6 | C1 | H22 | 180.0° | 179.9° |
| C5 | C6 | C1 | C | 179.7° | 179.9° |
| C6 | C5 | C4 | H24 | 179.8° | 179.7° |
| C6 | C1 | C | C7 | 97.9° | 90.1° |
| C6 | C1 | C2 | H1 | 179.9° | 179.9° |
| C6 | C1 | C | H20 | 23.3° | 150.0° |
| C6 | C1 | C | H21 | 140.9° | 30.0° |
| C1 | C6 | C5 | H23 | 180.0° | 180.0° |
| C1 | C | C7 | H20 | 121.2° | 119.9° |
| C1 | C | C7 | H21 | 121.2° | 120.0° |
| C1 | C | C7 | C8 | 45.7° | 94.8° |
| C1 | C | C7 | C13 | 135.0° | 85.0° |
| C | C1 | C2 | H1 | 0.3° | 0.2° |
| C1 | C | H20 | H21 | 116.3° | 120.0° |
| C | C1 | C6 | H22 | 0.2° | 0.1° |
| C | C7 | C8 | C13 | 179.4° | 179.8° |
| C | C7 | C8 | N | 179.5° | 179.8° |
| C | C7 | C13 | C9 | 179.5° | 179.8° |
| C | C7 | C13 | C12 | 0.6° | 0.1° |
| C | C7 | C8 | H3 | 0.5° | 0.2° |
| C7 | C | H20 | H21 | 116.3° | 120.0° |
| C7 | C8 | N | H3 | 180.0° | 180.0° |
| C7 | C8 | N | C9 | 0.2° | 0.0° |
| C8 | C7 | C13 | C9 | 0.1° | 0.0° |
| C8 | C7 | C13 | C12 | 180.0° | 179.9° |
| C7 | C8 | N | H19 | 179.9° | 179.9° |
| C8 | C7 | C | H20 | 75.4° | 145.3° |
| C8 | C7 | C | H21 | 166.9° | 25.3° |
| N | C8 | C7 | C13 | 0.2° | 0.0° |
| C8 | N | C9 | H19 | 180.0° | 180.0° |
| C8 | N | C9 | C13 | 0.1° | 0.0° |
| C8 | N | C9 | N1 | 180.0° | 180.0° |
| C7 | C13 | C9 | N | 0.0° | 0.0° |
| C7 | C13 | C9 | C12 | 179.9° | 179.9° |
| C7 | C13 | C9 | N1 | 179.9° | 179.9° |
| C7 | C13 | C12 | C11 | 179.8° | 180.0° |
| C13 | C7 | C8 | H3 | 179.9° | 180.0° |
| C7 | C13 | C12 | H5 | 0.2° | 0.1° |
| C13 | C7 | C | H20 | 103.8° | 34.9° |
| C13 | C7 | C | H21 | 13.9° | 155.0° |
| N | C9 | C13 | N1 | 179.9° | 180.0° |
| N | C9 | C13 | C12 | 179.9° | 180.0° |
| N | C9 | N1 | C10 | 179.9° | 180.0° |
| C9 | N | C8 | H3 | 179.9° | 180.0° |
| C9 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C9 | N1 | C10 | 0.2° | 0.0° |
| C9 | C13 | C12 | H5 | 179.9° | 179.9° |
| C13 | C9 | N | H19 | 179.9° | 180.0° |
| C12 | C13 | C9 | N1 | 0.0° | 0.0° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | C14 | 179.0° | 180.0° |
| C9 | N1 | C10 | C11 | 0.5° | 0.0° |
| C9 | N1 | C10 | H4 | 179.5° | 180.0° |
| N1 | C9 | N | H19 | 0.0° | 0.0° |
| C12 | C11 | C14 | C15 | 24.6° | 0.3° |
| C12 | C11 | C10 | N1 | 0.6° | 0.0° |
| C12 | C11 | C10 | C14 | 178.6° | 180.0° |
| C12 | C11 | C14 | C16 | 154.2° | 180.0° |
| C12 | C11 | C10 | H4 | 179.4° | 180.0° |
| C14 | C15 | N2 | H6 | 180.0° | 180.0° |
| C15 | C14 | C11 | C10 | 156.8° | 179.7° |
| C15 | C14 | C11 | C16 | 178.9° | 179.7° |
| C14 | C15 | N2 | N3 | 0.3° | 0.1° |
| C15 | C14 | C16 | N3 | 0.4° | 0.2° |
| C15 | C14 | C16 | H7 | 179.6° | 179.8° |
| N2 | C15 | C14 | C11 | 179.4° | 180.0° |
| N2 | C15 | C14 | C16 | 0.4° | 0.2° |
| C15 | N2 | N3 | C16 | 0.0° | 0.0° |
| C15 | N2 | N3 | C17 | 180.0° | 179.9° |
| N1 | C10 | C11 | H4 | 180.0° | 180.0° |
| N1 | C10 | C11 | C14 | 179.2° | 180.0° |
| C10 | C11 | C14 | C16 | 24.3° | 0.0° |
| C10 | C11 | C12 | H5 | 179.6° | 179.9° |
| C11 | C14 | C16 | N3 | 179.4° | 180.0° |
| C14 | C11 | C10 | H4 | 0.8° | 0.0° |
| C14 | C11 | C12 | H5 | 1.0° | 0.1° |
| C11 | C14 | C15 | H6 | 0.6° | 0.1° |
| C11 | C14 | C16 | H7 | 0.5° | 0.0° |
| C14 | C16 | N3 | N2 | 0.2° | 0.1° |
| C14 | C16 | N3 | H7 | 180.0° | 180.0° |
| C14 | C16 | N3 | C17 | 179.7° | 180.0° |
| C16 | C14 | C15 | H6 | 179.6° | 179.8° |
| N2 | N3 | C17 | C18 | 62.4° | 95.2° |
| N2 | N3 | C16 | C17 | 180.0° | 179.9° |
| N2 | N3 | C17 | C21 | 71.2° | 145.1° |
| N3 | N2 | C15 | H6 | 179.7° | 179.9° |
| N2 | N3 | C16 | H7 | 179.8° | 179.8° |
| N2 | N3 | C17 | H18 | 176.0° | 25.0° |
| C19 | C18 | C17 | H16 | 120.1° | 120.0° |
| C19 | C18 | C17 | H17 | 120.1° | 119.9° |
| C19 | C18 | C17 | N3 | 170.4° | 177.5° |
| C18 | C19 | N4 | H8 | 120.2° | 119.9° |
| C18 | C19 | N4 | H9 | 120.2° | 120.1° |
| C19 | C18 | C17 | C21 | 54.6° | 57.6° |
| C18 | C19 | N4 | C20 | 59.3° | 61.7° |
| C18 | C19 | H8 | H9 | 119.5° | 119.9° |
| C18 | C19 | N4 | H14 | 61.1° | 62.4° |
| C19 | C18 | H16 | H17 | 119.8° | 120.1° |
| C19 | C18 | C17 | H18 | 56.4° | 62.2° |
| C18 | C17 | N3 | C16 | 117.5° | 85.0° |
| C18 | C17 | N3 | C21 | 133.7° | 119.7° |
| C18 | C17 | N3 | H18 | 113.6° | 120.2° |
| C17 | C18 | C19 | N4 | 56.3° | 59.2° |
| C18 | C17 | C21 | H18 | 111.0° | 119.9° |
| C18 | C17 | C21 | C20 | 54.1° | 57.6° |
| C17 | C18 | C19 | H8 | 176.5° | 60.8° |
| C17 | C18 | C19 | H9 | 63.8° | 179.2° |
| C18 | C17 | C21 | H12 | 174.2° | 62.3° |
| C18 | C17 | C21 | H13 | 66.1° | 177.6° |
| C17 | C18 | H16 | H17 | 119.7° | 120.1° |
| C16 | N3 | C17 | C21 | 108.8° | 34.7° |
| C16 | N3 | C17 | H18 | 4.0° | 154.8° |
| N3 | C17 | C21 | H18 | 113.2° | 120.2° |
| N3 | C17 | C21 | C20 | 170.1° | 177.6° |
| C17 | N3 | C16 | H7 | 0.3° | 0.0° |
| N3 | C17 | C21 | H12 | 50.0° | 57.6° |
| N3 | C17 | C21 | H13 | 69.7° | 62.5° |
| N3 | C17 | C18 | H16 | 50.3° | 62.5° |
| N3 | C17 | C18 | H17 | 69.5° | 57.6° |
| C19 | N4 | C20 | H14 | 120.3° | 124.1° |
| C19 | N4 | C20 | C21 | 58.7° | 61.8° |
| N4 | C19 | H8 | H9 | 119.5° | 120.0° |
| C19 | N4 | C20 | H10 | 178.9° | 58.3° |
| C19 | N4 | C20 | H11 | 61.4° | 178.3° |
| N4 | C19 | C18 | H16 | 176.4° | 179.1° |
| N4 | C19 | C18 | H17 | 63.7° | 60.8° |
| C17 | C21 | C20 | N4 | 55.3° | 59.2° |
| C17 | C21 | C20 | H12 | 120.1° | 120.0° |
| C17 | C21 | C20 | H13 | 120.1° | 119.9° |
| C17 | C21 | C20 | H10 | 175.5° | 60.8° |
| C17 | C21 | C20 | H11 | 64.8° | 179.2° |
| C17 | C21 | H12 | H13 | 119.6° | 120.1° |
| C21 | C17 | C18 | H16 | 174.7° | 177.6° |
| C21 | C17 | C18 | H17 | 65.5° | 62.3° |
| N4 | C20 | C21 | H10 | 120.2° | 120.1° |
| N4 | C20 | C21 | H11 | 120.2° | 120.0° |
| C20 | N4 | C19 | H8 | 179.5° | 58.2° |
| C20 | N4 | C19 | H9 | 60.9° | 178.2° |
| N4 | C20 | H10 | H11 | 119.4° | 120.0° |
| N4 | C20 | C21 | H12 | 175.4° | 60.7° |
| N4 | C20 | C21 | H13 | 64.8° | 179.2° |
| C21 | C20 | H10 | H11 | 119.4° | 119.9° |
| C20 | C21 | H12 | H13 | 119.7° | 120.1° |
| C21 | C20 | N4 | H14 | 61.6° | 62.3° |
| C20 | C21 | C17 | H18 | 57.0° | 62.2° |
| H1 | C2 | C3 | H2 | 0.0° | 0.0° |
| H2 | C3 | C4 | H24 | 0.2° | 0.1° |
| H3 | C8 | N | H19 | 0.1° | 0.0° |
| H8 | C19 | N4 | H14 | 59.1° | 177.7° |
| H8 | C19 | C18 | H16 | 63.4° | 59.1° |
| H8 | C19 | C18 | H17 | 56.4° | 179.2° |
| H9 | C19 | N4 | H14 | 178.8° | 57.7° |
| H9 | C19 | C18 | H16 | 56.2° | 60.8° |
| H9 | C19 | C18 | H17 | 176.1° | 59.3° |
| H10 | C20 | C21 | H12 | 64.4° | 179.2° |
| H10 | C20 | C21 | H13 | 55.4° | 59.1° |
| H10 | C20 | N4 | H14 | 58.6° | 177.6° |
| H11 | C20 | C21 | H12 | 55.3° | 59.3° |
| H11 | C20 | C21 | H13 | 175.1° | 60.8° |
| H11 | C20 | N4 | H14 | 178.2° | 57.6° |
| H12 | C21 | C17 | H18 | 63.2° | 177.8° |
| H13 | C21 | C17 | H18 | 177.1° | 57.7° |
| H16 | C18 | C17 | H18 | 63.7° | 57.7° |
| H17 | C18 | C17 | H18 | 176.5° | 177.8° |
| H22 | C6 | C5 | H23 | 0.0° | 0.1° |
| H23 | C5 | C4 | H24 | 0.2° | 0.4° |
