5SL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.55Å | 1.56Å | |
| C11 | C15 | sing | 1.54Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.55Å | 1.54Å | |
| C13 | C14 | sing | 1.54Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C18 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.54Å | 1.52Å | |
| N4 | N5 | sing | 1.40Å | 1.37Å | Aromatic |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.38Å | 1.34Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | O1 | sing | 1.34Å | 1.34Å | Aromatic |
| C10 | N1 | doub | 1.31Å | 1.29Å | Aromatic |
| O1 | N2 | sing | 1.21Å | 1.42Å | Aromatic |
| C17 | C16 | doub | 1.41Å | 1.43Å | Aromatic |
| C17 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| N1 | C9 | sing | 1.34Å | 1.37Å | Aromatic |
| N5 | C19 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C9 | doub | 1.30Å | 1.30Å | Aromatic |
| C19 | N6 | doub | 1.33Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| N7 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C20 | sing | 1.31Å | 1.34Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C15 | 102.5° | 104.2° |
| C12 | C11 | C10 | 112.3° | 110.5° |
| C11 | C12 | C13 | 104.9° | 102.7° |
| C12 | C11 | H16 | 110.5° | 110.5° |
| C11 | C12 | H17 | 110.6° | 110.7° |
| C11 | C12 | H18 | 110.6° | 110.8° |
| C15 | C11 | C10 | 109.2° | 110.5° |
| C11 | C15 | C14 | 108.2° | 106.6° |
| C15 | C11 | H16 | 110.8° | 110.5° |
| C11 | C15 | H20 | 109.8° | 110.0° |
| C11 | C15 | H21 | 109.8° | 110.1° |
| C11 | C10 | O1 | 116.5° | 126.6° |
| C11 | C10 | N1 | 130.3° | 126.6° |
| C10 | C11 | H16 | 111.2° | 110.5° |
| C12 | C13 | C14 | 102.5° | 104.2° |
| C12 | C13 | H5 | 111.2° | 110.5° |
| C12 | C13 | H6 | 111.2° | 110.5° |
| C13 | C12 | H17 | 110.6° | 110.7° |
| C13 | C12 | H18 | 110.6° | 110.8° |
| C13 | C14 | C15 | 102.0° | 106.6° |
| C13 | C14 | N3 | 113.8° | 110.0° |
| C14 | C13 | H5 | 111.2° | 110.5° |
| C14 | C13 | H6 | 111.2° | 110.5° |
| C13 | C14 | H19 | 109.6° | 110.0° |
| C1 | C2 | C7 | 121.1° | 120.0° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| N4 | C18 | C17 | 111.4° | 108.5° |
| C18 | N4 | N5 | 106.0° | 109.7° |
| N4 | C18 | H11 | 124.3° | 125.8° |
| C18 | C17 | C16 | 140.8° | 134.7° |
| C18 | C17 | C19 | 104.5° | 107.0° |
| C17 | C18 | H11 | 124.3° | 125.7° |
| C15 | C14 | N3 | 111.7° | 110.0° |
| C15 | C14 | H19 | 109.2° | 110.1° |
| C14 | C15 | H20 | 109.8° | 110.0° |
| C14 | C15 | H21 | 109.8° | 110.1° |
| N4 | N5 | C19 | 112.6° | 108.2° |
| N4 | N5 | H10 | 123.7° | 125.9° |
| C14 | N3 | C16 | 124.4° | 120.0° |
| C14 | N3 | H1 | 105.6° | 120.0° |
| N3 | C14 | H19 | 110.1° | 110.0° |
| N3 | C16 | C17 | 120.1° | 120.8° |
| N3 | C16 | N7 | 117.2° | 120.8° |
| C16 | N3 | H1 | 105.6° | 120.0° |
| C7 | C2 | C3 | 117.7° | 120.0° |
| C2 | C7 | C6 | 121.3° | 120.0° |
| C2 | C7 | H3 | 119.4° | 120.0° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | H15 | 119.3° | 120.0° |
| O1 | C10 | N1 | 113.1° | 106.9° |
| C10 | O1 | N2 | 106.0° | 109.9° |
| C10 | N1 | C9 | 102.9° | 105.6° |
| O1 | N2 | C9 | 103.1° | 110.2° |
| C16 | C17 | C19 | 114.6° | 118.3° |
| C17 | C16 | N7 | 122.6° | 118.3° |
| C17 | C19 | N5 | 105.6° | 106.6° |
| C17 | C19 | N6 | 123.1° | 118.8° |
| C7 | C6 | C5 | 120.8° | 120.0° |
| C6 | C7 | H3 | 119.4° | 120.0° |
| C7 | C6 | H4 | 119.6° | 120.0° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C3 | C4 | H2 | 119.6° | 120.0° |
| C4 | C3 | H15 | 119.3° | 120.0° |
| C16 | N7 | C20 | 115.6° | 121.2° |
| N1 | C9 | N2 | 114.9° | 107.5° |
| N1 | C9 | C8 | 122.6° | 126.3° |
| N5 | C19 | N6 | 131.2° | 134.6° |
| C19 | N5 | H10 | 123.7° | 125.9° |
| C6 | C5 | C4 | 118.1° | 120.0° |
| C6 | C5 | C8 | 120.9° | 120.0° |
| C5 | C6 | H4 | 119.6° | 120.0° |
| C4 | C5 | C8 | 121.0° | 120.0° |
| C5 | C4 | H2 | 119.6° | 120.0° |
| N2 | C9 | C8 | 122.3° | 126.2° |
| C19 | N6 | C20 | 115.3° | 120.7° |
| C9 | C8 | C5 | 110.9° | 109.5° |
| C9 | C8 | H8 | 109.1° | 109.5° |
| C9 | C8 | H9 | 109.1° | 109.5° |
| C5 | C8 | H8 | 109.1° | 109.4° |
| C5 | C8 | H9 | 109.1° | 109.5° |
| N7 | C20 | N6 | 128.7° | 122.6° |
| N7 | C20 | H7 | 115.6° | 118.7° |
| N6 | C20 | H7 | 115.6° | 118.7° |
| H5 | C13 | H6 | 109.5° | 110.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 110.8° |
| H20 | C15 | H21 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C15 | C10 | 119.3° | 118.7° |
| C12 | C11 | C15 | H16 | 117.9° | 118.7° |
| C12 | C11 | C10 | H16 | 124.5° | 122.6° |
| C11 | C12 | C13 | H17 | 119.3° | 118.3° |
| C11 | C12 | C13 | H18 | 119.2° | 118.3° |
| C11 | C12 | C13 | C14 | 40.0° | 37.9° |
| C12 | C11 | C15 | C14 | 8.2° | 23.6° |
| C12 | C11 | C10 | O1 | 159.3° | 58.6° |
| C12 | C11 | C10 | N1 | 16.2° | 121.4° |
| C11 | C12 | C13 | H5 | 78.9° | 80.8° |
| C11 | C12 | C13 | H6 | 158.9° | 156.6° |
| C11 | C12 | H17 | H18 | 122.1° | 123.3° |
| C12 | C11 | C15 | H20 | 128.1° | 95.7° |
| C12 | C11 | C15 | H21 | 111.6° | 142.9° |
| C15 | C11 | C10 | H16 | 122.6° | 122.6° |
| C15 | C11 | C12 | C13 | 19.0° | 37.9° |
| C11 | C15 | C14 | C13 | 33.1° | 0.0° |
| C11 | C15 | C14 | H20 | 119.8° | 119.2° |
| C11 | C15 | C14 | H21 | 119.8° | 119.3° |
| C11 | C15 | C14 | N3 | 155.0° | 119.3° |
| C15 | C11 | C10 | O1 | 46.4° | 56.2° |
| C15 | C11 | C10 | N1 | 129.2° | 123.8° |
| C15 | C11 | C12 | H17 | 138.2° | 80.4° |
| C15 | C11 | C12 | H18 | 100.3° | 156.2° |
| C11 | C15 | C14 | H19 | 82.9° | 119.3° |
| C11 | C15 | H20 | H21 | 120.6° | 121.4° |
| C10 | C11 | C12 | C13 | 136.0° | 156.6° |
| C10 | C11 | C15 | C14 | 111.0° | 142.3° |
| C11 | C10 | O1 | N1 | 176.3° | 180.0° |
| C11 | C10 | O1 | N2 | 175.5° | 180.0° |
| C11 | C10 | N1 | C9 | 175.3° | 180.0° |
| C10 | C11 | C12 | H17 | 104.8° | 38.3° |
| C10 | C11 | C12 | H18 | 16.7° | 85.0° |
| C10 | C11 | C15 | H20 | 8.8° | 23.1° |
| C10 | C11 | C15 | H21 | 129.2° | 98.4° |
| C12 | C13 | C14 | H5 | 118.9° | 118.7° |
| C12 | C13 | C14 | H6 | 118.9° | 118.7° |
| C12 | C13 | C14 | C15 | 44.2° | 23.6° |
| C12 | C13 | C14 | N3 | 164.6° | 142.9° |
| C12 | C13 | H5 | H6 | 123.3° | 122.6° |
| C13 | C12 | C11 | H16 | 99.1° | 80.8° |
| C13 | C12 | H17 | H18 | 122.2° | 123.4° |
| C12 | C13 | C14 | H19 | 71.5° | 95.7° |
| C13 | C14 | C15 | N3 | 122.0° | 119.3° |
| C13 | C14 | C15 | H19 | 116.0° | 119.3° |
| C13 | C14 | N3 | H19 | 123.6° | 121.4° |
| C13 | C14 | N3 | C16 | 155.9° | 86.5° |
| C13 | C14 | N3 | H1 | 82.1° | 93.3° |
| C14 | C13 | H5 | H6 | 123.2° | 122.5° |
| C14 | C13 | C12 | H17 | 159.3° | 80.4° |
| C14 | C13 | C12 | H18 | 79.3° | 156.2° |
| C13 | C14 | C15 | H20 | 152.9° | 119.3° |
| C13 | C14 | C15 | H21 | 86.7° | 119.3° |
| C1 | C2 | C7 | C3 | 178.2° | 179.2° |
| C1 | C2 | C7 | C6 | 177.4° | 180.0° |
| C1 | C2 | C3 | C4 | 177.5° | 179.7° |
| C1 | C2 | C7 | H3 | 2.5° | 0.5° |
| C2 | C1 | H12 | H13 | 120.0° | 119.9° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | C3 | H15 | 2.5° | 0.3° |
| N4 | C18 | C17 | H11 | 180.0° | 179.9° |
| N4 | C18 | C17 | C16 | 174.8° | 179.6° |
| N4 | C18 | C17 | C19 | 1.2° | 0.1° |
| C18 | N4 | N5 | C19 | 0.0° | 0.0° |
| C18 | N4 | N5 | H10 | 180.0° | 179.9° |
| C17 | C18 | N4 | N5 | 0.8° | 0.1° |
| C18 | C17 | C16 | N3 | 1.4° | 0.1° |
| C18 | C17 | C16 | C19 | 175.8° | 179.7° |
| C18 | C17 | C16 | N7 | 177.3° | 180.0° |
| C18 | C17 | C19 | N5 | 1.1° | 0.1° |
| C18 | C17 | C19 | N6 | 179.2° | 180.0° |
| C15 | C14 | N3 | H19 | 121.6° | 121.5° |
| C15 | C14 | N3 | C16 | 89.2° | 156.4° |
| C15 | C14 | N3 | H1 | 32.8° | 23.8° |
| C15 | C14 | C13 | H5 | 74.7° | 95.1° |
| C15 | C14 | C13 | H6 | 163.1° | 142.4° |
| C14 | C15 | C11 | H16 | 126.2° | 95.1° |
| C14 | C15 | H20 | H21 | 120.6° | 121.4° |
| N4 | N5 | C19 | C17 | 0.8° | 0.0° |
| N4 | N5 | C19 | H10 | 180.0° | 179.9° |
| N4 | N5 | C19 | N6 | 178.6° | 180.0° |
| N5 | N4 | C18 | H11 | 179.2° | 179.9° |
| C14 | N3 | C16 | H1 | 122.0° | 179.8° |
| C14 | N3 | C16 | C17 | 176.6° | 180.0° |
| C14 | N3 | C16 | N7 | 2.2° | 0.0° |
| N3 | C14 | C13 | H5 | 45.8° | 24.2° |
| N3 | C14 | C13 | H6 | 76.5° | 98.4° |
| N3 | C14 | C15 | H20 | 85.2° | 121.5° |
| N3 | C14 | C15 | H21 | 35.2° | 0.0° |
| N3 | C16 | C17 | N7 | 178.7° | 180.0° |
| N3 | C16 | C17 | C19 | 177.2° | 179.8° |
| N3 | C16 | N7 | C20 | 178.2° | 179.9° |
| C16 | N3 | C14 | H19 | 32.3° | 34.9° |
| C2 | C7 | C6 | H3 | 180.0° | 179.5° |
| C7 | C2 | C3 | C4 | 0.7° | 0.5° |
| C2 | C7 | C6 | C5 | 0.5° | 0.5° |
| C2 | C7 | C6 | H4 | 179.5° | 180.0° |
| C7 | C2 | C1 | H12 | 90.9° | 90.1° |
| C7 | C2 | C1 | H13 | 149.1° | 150.0° |
| C7 | C2 | C1 | H14 | 29.1° | 30.0° |
| C7 | C2 | C3 | H15 | 179.3° | 179.5° |
| C3 | C2 | C7 | C6 | 0.8° | 0.8° |
| C2 | C3 | C4 | H15 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H2 | 179.6° | 179.8° |
| C3 | C2 | C7 | H3 | 179.3° | 179.7° |
| C3 | C2 | C1 | H12 | 90.9° | 89.1° |
| C3 | C2 | C1 | H13 | 29.1° | 30.8° |
| C3 | C2 | C1 | H14 | 149.1° | 150.9° |
| O1 | C10 | N1 | C9 | 0.4° | 0.0° |
| C10 | O1 | N2 | C9 | 0.9° | 0.0° |
| O1 | C10 | C11 | H16 | 76.2° | 178.8° |
| N1 | C10 | O1 | N2 | 0.8° | 0.0° |
| C10 | N1 | C9 | N2 | 0.2° | 0.0° |
| C10 | N1 | C9 | C8 | 174.2° | 180.0° |
| N1 | C10 | C11 | H16 | 108.2° | 1.1° |
| O1 | N2 | C9 | N1 | 0.7° | 0.0° |
| O1 | N2 | C9 | C8 | 173.8° | 180.0° |
| C16 | C17 | C19 | N5 | 176.1° | 179.7° |
| C16 | C17 | C19 | N6 | 1.9° | 0.2° |
| C17 | C16 | N7 | C20 | 0.5° | 0.0° |
| C17 | C16 | N3 | H1 | 54.6° | 0.2° |
| C16 | C17 | C18 | H11 | 5.2° | 0.2° |
| C19 | C17 | C16 | N7 | 1.5° | 0.2° |
| C17 | C19 | N5 | N6 | 177.8° | 179.9° |
| C17 | C19 | N6 | C20 | 1.4° | 0.1° |
| C17 | C19 | N5 | H10 | 179.2° | 180.0° |
| C19 | C17 | C18 | H11 | 178.8° | 180.0° |
| C7 | C6 | C5 | H4 | 180.0° | 179.5° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | C8 | 178.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C8 | 178.2° | 179.7° |
| C16 | N7 | C20 | N6 | 0.1° | 0.4° |
| N7 | C16 | N3 | H1 | 124.2° | 179.8° |
| C16 | N7 | C20 | H7 | 179.9° | 180.0° |
| N1 | C9 | N2 | C8 | 174.5° | 180.0° |
| N1 | C9 | C8 | C5 | 71.7° | 90.0° |
| N1 | C9 | C8 | H8 | 168.2° | 29.9° |
| N1 | C9 | C8 | H9 | 48.6° | 149.9° |
| N5 | C19 | N6 | C20 | 176.1° | 180.0° |
| C6 | C5 | C4 | C8 | 178.3° | 180.0° |
| C6 | C5 | C8 | C9 | 88.8° | 90.1° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C5 | C6 | C7 | H3 | 179.5° | 180.0° |
| C6 | C5 | C8 | H8 | 151.0° | 150.0° |
| C6 | C5 | C8 | H9 | 31.4° | 30.0° |
| C4 | C5 | C8 | C9 | 89.4° | 89.9° |
| C4 | C5 | C6 | H4 | 179.9° | 179.5° |
| C4 | C5 | C8 | H8 | 30.8° | 30.0° |
| C4 | C5 | C8 | H9 | 150.4° | 150.0° |
| C5 | C4 | C3 | H15 | 179.6° | 180.0° |
| N2 | C9 | C8 | C5 | 102.4° | 90.0° |
| N2 | C9 | C8 | H8 | 17.8° | 150.1° |
| N2 | C9 | C8 | H9 | 137.4° | 30.1° |
| C19 | N6 | C20 | N7 | 0.3° | 0.4° |
| C19 | N6 | C20 | H7 | 179.7° | 180.0° |
| N6 | C19 | N5 | H10 | 1.4° | 0.1° |
| C9 | C8 | C5 | H8 | 120.2° | 120.0° |
| C9 | C8 | C5 | H9 | 120.2° | 120.1° |
| C9 | C8 | H8 | H9 | 119.4° | 120.0° |
| C8 | C5 | C4 | H2 | 1.8° | 0.0° |
| C8 | C5 | C6 | H4 | 1.8° | 0.5° |
| C5 | C8 | H8 | H9 | 119.4° | 120.0° |
| N7 | C20 | N6 | H7 | 180.0° | 179.7° |
| H1 | N3 | C14 | H19 | 154.4° | 145.3° |
| H2 | C4 | C3 | H15 | 0.4° | 0.2° |
| H3 | C7 | C6 | H4 | 0.5° | 0.5° |
| H5 | C13 | C12 | H17 | 40.4° | 160.9° |
| H5 | C13 | C12 | H18 | 161.9° | 37.5° |
| H5 | C13 | C14 | H19 | 169.6° | 145.6° |
| H6 | C13 | C12 | H17 | 81.9° | 38.3° |
| H6 | C13 | C12 | H18 | 39.6° | 85.1° |
| H6 | C13 | C14 | H19 | 47.4° | 23.0° |
| H12 | C1 | H13 | H14 | 119.9° | 120.0° |
| H16 | C11 | C12 | H17 | 20.1° | 160.9° |
| H16 | C11 | C12 | H18 | 141.6° | 37.6° |
| H16 | C11 | C15 | H20 | 114.0° | 145.7° |
| H16 | C11 | C15 | H21 | 6.3° | 24.2° |
| H19 | C14 | C15 | H20 | 36.9° | 0.0° |
| H19 | C14 | C15 | H21 | 157.3° | 121.4° |
