1XK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C24 | C22 | sing | 1.53Å | 1.48Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C20 | sing | 1.53Å | 1.54Å | |
| O1 | C21 | sing | 1.43Å | 1.42Å | |
| O2 | C25 | doub | 1.21Å | 1.21Å | |
| C20 | C25 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.55Å | 1.54Å | |
| C25 | N4 | sing | 1.35Å | 1.36Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.55Å | 1.52Å | |
| N4 | C3 | sing | 1.40Å | 1.42Å | |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| C1 | N | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| N | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.50Å | |
| C6 | N1 | sing | 1.35Å | 1.33Å | |
| C6 | O | doub | 1.21Å | 1.23Å | |
| N1 | C7 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | F | sing | 1.35Å | 1.35Å | |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.49Å | 1.48Å | |
| C14 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| C17 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| N3 | C16 | sing | 1.46Å | 1.46Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C22 | 61.7° | 60.0° |
| C24 | C23 | C22 | 58.7° | 60.0° |
| C24 | C23 | H21 | 120.2° | 117.5° |
| C24 | C23 | H22 | 120.2° | 117.5° |
| C23 | C24 | H23 | 119.7° | 117.5° |
| C23 | C24 | H24 | 119.7° | 117.5° |
| C24 | C22 | C23 | 59.6° | 60.0° |
| C24 | C22 | C20 | 123.7° | 117.5° |
| C24 | C22 | H20 | 115.0° | 117.5° |
| C22 | C24 | H23 | 119.7° | 117.5° |
| C22 | C24 | H24 | 119.7° | 117.5° |
| C23 | C22 | C20 | 119.5° | 117.5° |
| C23 | C22 | H20 | 114.3° | 117.5° |
| C22 | C23 | H21 | 120.2° | 117.5° |
| C22 | C23 | H22 | 120.2° | 117.6° |
| C22 | C20 | C25 | 100.4° | 110.5° |
| C22 | C20 | C21 | 116.4° | 110.4° |
| C22 | C20 | C19 | 114.0° | 110.6° |
| C20 | C22 | H20 | 114.0° | 115.5° |
| O1 | C21 | C20 | 110.3° | 109.4° |
| O1 | C21 | H18 | 109.2° | 109.5° |
| O1 | C21 | H19 | 109.2° | 109.5° |
| C21 | O1 | H28 | 109.5° | 114.0° |
| O2 | C25 | C20 | 125.9° | 125.0° |
| O2 | C25 | N4 | 125.4° | 124.9° |
| C25 | C20 | C21 | 111.6° | 110.5° |
| C25 | C20 | C19 | 103.1° | 104.3° |
| C20 | C25 | N4 | 108.7° | 110.1° |
| C21 | C20 | C19 | 110.2° | 110.5° |
| C20 | C21 | H18 | 109.2° | 109.5° |
| C20 | C21 | H19 | 109.2° | 109.5° |
| C20 | C19 | C18 | 103.9° | 101.8° |
| C20 | C19 | H16 | 110.9° | 111.0° |
| C20 | C19 | H17 | 110.8° | 111.0° |
| C25 | N4 | C3 | 128.5° | 124.4° |
| C25 | N4 | C18 | 112.1° | 111.2° |
| C | C1 | C2 | 121.3° | 119.5° |
| C | C1 | N | 116.7° | 119.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C2 | C3 | 119.0° | 119.3° |
| C2 | C1 | N | 122.0° | 121.0° |
| C1 | C2 | H6 | 120.5° | 120.4° |
| C2 | C3 | N4 | 122.1° | 120.8° |
| C2 | C3 | C4 | 119.0° | 118.3° |
| C3 | C2 | H6 | 120.5° | 120.3° |
| C19 | C18 | N4 | 102.3° | 105.5° |
| C19 | C18 | H14 | 111.3° | 110.2° |
| C19 | C18 | H15 | 111.3° | 110.2° |
| C18 | C19 | H16 | 110.8° | 110.9° |
| C18 | C19 | H17 | 110.8° | 111.0° |
| C3 | N4 | C18 | 119.4° | 124.5° |
| N4 | C3 | C4 | 118.9° | 120.8° |
| N4 | C18 | H14 | 111.2° | 110.3° |
| N4 | C18 | H15 | 111.2° | 110.2° |
| C1 | N | C5 | 117.9° | 121.8° |
| C3 | C4 | C5 | 118.5° | 119.0° |
| C3 | C4 | H1 | 120.8° | 120.5° |
| N | C5 | C4 | 123.6° | 120.6° |
| N | C5 | C6 | 118.8° | 119.7° |
| C4 | C5 | C6 | 117.6° | 119.7° |
| C5 | C4 | H1 | 120.7° | 120.5° |
| C5 | C6 | N1 | 116.4° | 120.0° |
| C5 | C6 | O | 120.7° | 120.0° |
| N1 | C6 | O | 122.8° | 120.0° |
| C6 | N1 | C7 | 120.7° | 120.0° |
| C6 | N1 | H5 | 119.6° | 120.0° |
| N1 | C7 | C8 | 112.3° | 109.5° |
| C7 | N1 | H5 | 119.6° | 120.0° |
| N1 | C7 | H25 | 108.8° | 109.4° |
| N1 | C7 | H26 | 108.8° | 109.5° |
| C7 | C8 | C9 | 119.8° | 119.9° |
| C7 | C8 | C13 | 120.9° | 119.9° |
| C8 | C7 | H25 | 108.8° | 109.5° |
| C8 | C7 | H26 | 108.8° | 109.5° |
| C9 | C8 | C13 | 119.3° | 120.2° |
| C8 | C9 | C10 | 118.6° | 120.2° |
| C8 | C9 | H27 | 120.7° | 119.9° |
| C8 | C13 | C12 | 120.7° | 119.9° |
| C8 | C13 | H8 | 119.7° | 120.0° |
| C9 | C10 | F | 118.3° | 119.9° |
| C9 | C10 | C11 | 123.6° | 120.1° |
| C10 | C9 | H27 | 120.7° | 119.9° |
| C13 | C12 | C11 | 119.8° | 119.8° |
| C13 | C12 | C14 | 120.5° | 120.1° |
| C12 | C13 | H8 | 119.7° | 120.0° |
| F | C10 | C11 | 118.1° | 120.0° |
| C10 | C11 | C12 | 118.1° | 119.8° |
| C10 | C11 | H7 | 120.9° | 120.1° |
| C11 | C12 | C14 | 119.7° | 120.1° |
| C12 | C11 | H7 | 120.9° | 120.1° |
| C12 | C14 | C15 | 129.7° | 126.2° |
| C12 | C14 | C17 | 126.2° | 126.2° |
| C15 | C14 | C17 | 104.0° | 107.6° |
| C14 | C15 | N2 | 112.0° | 108.1° |
| C14 | C15 | H9 | 124.0° | 125.9° |
| C14 | C17 | N3 | 107.2° | 107.6° |
| C14 | C17 | H13 | 126.4° | 126.1° |
| C15 | N2 | N3 | 104.5° | 108.5° |
| N2 | C15 | H9 | 124.0° | 126.0° |
| C17 | N3 | N2 | 112.3° | 108.2° |
| C17 | N3 | C16 | 127.5° | 125.9° |
| N3 | C17 | H13 | 126.4° | 126.3° |
| N2 | N3 | C16 | 120.2° | 125.9° |
| N3 | C16 | H10 | 109.5° | 109.5° |
| N3 | C16 | H11 | 109.5° | 109.5° |
| N3 | C16 | H12 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H3 | C | H4 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H10 | C16 | H12 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 110.2° |
| H16 | C19 | H17 | 109.5° | 110.9° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 115.5° |
| H23 | C24 | H24 | 109.5° | 115.6° |
| H25 | C7 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C22 | H23 | 109.9° | 107.5° |
| C23 | C24 | C22 | H24 | 109.9° | 107.5° |
| C24 | C23 | C22 | H21 | 109.1° | 107.5° |
| C24 | C23 | C22 | H22 | 109.1° | 107.5° |
| C23 | C24 | C22 | C20 | 107.2° | 107.6° |
| C23 | C24 | C22 | H20 | 104.6° | 107.5° |
| C24 | C23 | H21 | H22 | 145.4° | 145.6° |
| C23 | C24 | H23 | H24 | 143.9° | 145.8° |
| C24 | C22 | C20 | H20 | 148.5° | 145.6° |
| C24 | C22 | C20 | C25 | 165.3° | 7.4° |
| C24 | C22 | C20 | C21 | 74.1° | 129.8° |
| C24 | C22 | C20 | C19 | 55.9° | 107.5° |
| C22 | C24 | H23 | H24 | 143.8° | 145.7° |
| C23 | C22 | C20 | H20 | 140.2° | 145.7° |
| C23 | C22 | C20 | C25 | 94.1° | 61.3° |
| C23 | C22 | C20 | C21 | 145.4° | 61.1° |
| C23 | C22 | C20 | C19 | 15.4° | 176.2° |
| C22 | C23 | H21 | H22 | 145.5° | 145.7° |
| C22 | C20 | C21 | O1 | 0.6° | 178.2° |
| C22 | C20 | C25 | O2 | 50.9° | 77.4° |
| C22 | C20 | C25 | C21 | 124.0° | 122.4° |
| C22 | C20 | C25 | C19 | 117.8° | 118.8° |
| C22 | C20 | C21 | C19 | 131.8° | 122.7° |
| C22 | C20 | C25 | N4 | 128.4° | 102.6° |
| C22 | C20 | C19 | C18 | 133.7° | 93.9° |
| C22 | C20 | C19 | H16 | 14.6° | 148.0° |
| C22 | C20 | C19 | H17 | 107.2° | 24.2° |
| C22 | C20 | C21 | H18 | 120.7° | 58.2° |
| C22 | C20 | C21 | H19 | 119.6° | 61.8° |
| C20 | C22 | C23 | H21 | 136.9° | 0.0° |
| C20 | C22 | C23 | H22 | 4.9° | 145.0° |
| C20 | C22 | C24 | H23 | 2.7° | 145.0° |
| C20 | C22 | C24 | H24 | 142.9° | 0.0° |
| O1 | C21 | C20 | C25 | 114.9° | 59.4° |
| O1 | C21 | C20 | H18 | 120.1° | 120.0° |
| O1 | C21 | C20 | H19 | 120.1° | 120.0° |
| O1 | C21 | C20 | C19 | 131.2° | 55.5° |
| O1 | C21 | H18 | H19 | 119.6° | 120.1° |
| O2 | C25 | C20 | N4 | 179.3° | 180.0° |
| O2 | C25 | C20 | C21 | 73.1° | 45.0° |
| O2 | C25 | C20 | C19 | 168.7° | 163.8° |
| O2 | C25 | N4 | C3 | 9.7° | 0.4° |
| O2 | C25 | N4 | C18 | 170.7° | 179.6° |
| C25 | C20 | C21 | C19 | 113.9° | 114.9° |
| C25 | C20 | C19 | C18 | 25.9° | 24.8° |
| C20 | C25 | N4 | C3 | 169.7° | 179.6° |
| C20 | C25 | N4 | C18 | 10.0° | 0.5° |
| C25 | C20 | C19 | H16 | 93.2° | 93.3° |
| C25 | C20 | C19 | H17 | 145.0° | 142.9° |
| C25 | C20 | C21 | H18 | 124.9° | 179.3° |
| C25 | C20 | C21 | H19 | 5.2° | 60.7° |
| C25 | C20 | C22 | H20 | 46.1° | 153.0° |
| C21 | C20 | C25 | N4 | 107.6° | 135.0° |
| C21 | C20 | C19 | C18 | 93.3° | 143.5° |
| C21 | C20 | C19 | H16 | 147.6° | 25.4° |
| C21 | C20 | C19 | H17 | 25.8° | 98.4° |
| C20 | C21 | H18 | H19 | 119.6° | 120.0° |
| C21 | C20 | C22 | H20 | 74.5° | 84.5° |
| C20 | C21 | O1 | H28 | 180.0° | 180.0° |
| C19 | C20 | C25 | N4 | 10.6° | 16.2° |
| C20 | C19 | C18 | H16 | 119.1° | 118.1° |
| C20 | C19 | C18 | H17 | 119.1° | 118.2° |
| C20 | C19 | C18 | N4 | 31.2° | 25.5° |
| C20 | C19 | C18 | H14 | 150.0° | 93.6° |
| C20 | C19 | C18 | H15 | 87.7° | 144.5° |
| C20 | C19 | H16 | H17 | 122.6° | 123.9° |
| C19 | C20 | C21 | H18 | 11.1° | 64.5° |
| C19 | C20 | C21 | H19 | 108.7° | 175.5° |
| C19 | C20 | C22 | H20 | 155.6° | 38.1° |
| C25 | N4 | C3 | C2 | 3.0° | 180.0° |
| C25 | N4 | C18 | C19 | 26.4° | 17.1° |
| C25 | N4 | C3 | C18 | 179.6° | 179.9° |
| C25 | N4 | C3 | C4 | 174.6° | 0.0° |
| C25 | N4 | C18 | H14 | 145.3° | 102.0° |
| C25 | N4 | C18 | H15 | 92.4° | 136.1° |
| C | C1 | C2 | N | 179.5° | 180.0° |
| C | C1 | C2 | C3 | 178.5° | 180.0° |
| C | C1 | N | C5 | 179.2° | 179.9° |
| C1 | C | H2 | H3 | 120.0° | 119.9° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C | C1 | C2 | H6 | 1.5° | 0.0° |
| C1 | C2 | C3 | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | N4 | 176.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C1 | N | C5 | 0.3° | 0.1° |
| C2 | C1 | C | H2 | 179.6° | 90.0° |
| C2 | C1 | C | H3 | 59.6° | 150.0° |
| C2 | C1 | C | H4 | 60.4° | 30.0° |
| C2 | C3 | N4 | C4 | 177.6° | 180.0° |
| C2 | C3 | N4 | C18 | 176.6° | 0.0° |
| C3 | C2 | C1 | N | 1.0° | 0.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H1 | 179.9° | 179.8° |
| C19 | C18 | N4 | C3 | 153.3° | 163.0° |
| C19 | C18 | N4 | H14 | 118.9° | 119.0° |
| C19 | C18 | N4 | H15 | 118.9° | 119.0° |
| C19 | C18 | H14 | H15 | 123.4° | 121.9° |
| C18 | C19 | H16 | H17 | 122.6° | 123.8° |
| N4 | C3 | C4 | C5 | 177.6° | 180.0° |
| N4 | C3 | C4 | H1 | 2.4° | 0.2° |
| N4 | C3 | C2 | H6 | 3.2° | 0.0° |
| C3 | N4 | C18 | H14 | 34.4° | 78.0° |
| C3 | N4 | C18 | H15 | 87.9° | 44.0° |
| C18 | N4 | C3 | C4 | 5.8° | 180.0° |
| N4 | C18 | H14 | H15 | 123.3° | 122.0° |
| N4 | C18 | C19 | H16 | 87.9° | 92.6° |
| N4 | C18 | C19 | H17 | 150.3° | 143.6° |
| C1 | N | C5 | C4 | 0.5° | 0.1° |
| C1 | N | C5 | C6 | 179.1° | 179.7° |
| N | C1 | C | H2 | 0.0° | 90.0° |
| N | C1 | C | H3 | 120.0° | 30.0° |
| N | C1 | C | H4 | 120.0° | 150.0° |
| N | C1 | C2 | H6 | 179.0° | 180.0° |
| C3 | C4 | C5 | N | 0.6° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 179.0° | 179.7° |
| C4 | C3 | C2 | H6 | 179.1° | 180.0° |
| N | C5 | C4 | C6 | 179.6° | 179.8° |
| N | C5 | C6 | N1 | 21.1° | 0.3° |
| N | C5 | C6 | O | 162.3° | 179.7° |
| N | C5 | C4 | H1 | 179.3° | 179.8° |
| C4 | C5 | C6 | N1 | 158.5° | 180.0° |
| C4 | C5 | C6 | O | 18.1° | 0.0° |
| C5 | C6 | N1 | O | 176.5° | 180.0° |
| C5 | C6 | N1 | C7 | 174.7° | 180.0° |
| C6 | C5 | C4 | H1 | 1.0° | 0.0° |
| C5 | C6 | N1 | H5 | 5.3° | 0.0° |
| C6 | N1 | C7 | H5 | 180.0° | 180.0° |
| C6 | N1 | C7 | C8 | 94.2° | 180.0° |
| C6 | N1 | C7 | H25 | 145.4° | 59.9° |
| C6 | N1 | C7 | H26 | 26.3° | 60.0° |
| O | C6 | N1 | C7 | 1.8° | 0.0° |
| O | C6 | N1 | H5 | 178.2° | 180.0° |
| N1 | C7 | C8 | H25 | 120.4° | 120.0° |
| N1 | C7 | C8 | H26 | 120.4° | 120.0° |
| N1 | C7 | C8 | C9 | 98.5° | 90.0° |
| N1 | C7 | C8 | C13 | 79.2° | 90.5° |
| N1 | C7 | H25 | H26 | 118.7° | 120.0° |
| C7 | C8 | C9 | C13 | 177.8° | 179.5° |
| C7 | C8 | C9 | C10 | 176.7° | 180.0° |
| C7 | C8 | C13 | C12 | 175.5° | 179.7° |
| C8 | C7 | N1 | H5 | 85.8° | 0.0° |
| C7 | C8 | C13 | H8 | 4.5° | 0.4° |
| C8 | C7 | H25 | H26 | 118.7° | 120.0° |
| C7 | C8 | C9 | H27 | 3.3° | 0.1° |
| C8 | C9 | C10 | H27 | 180.0° | 179.9° |
| C9 | C8 | C13 | C12 | 2.3° | 0.2° |
| C8 | C9 | C10 | F | 178.5° | 179.8° |
| C8 | C9 | C10 | C11 | 0.5° | 0.5° |
| C9 | C8 | C13 | H8 | 177.7° | 179.8° |
| C9 | C8 | C7 | H25 | 21.9° | 30.0° |
| C9 | C8 | C7 | H26 | 141.1° | 150.0° |
| C13 | C8 | C9 | C10 | 1.1° | 0.5° |
| C8 | C13 | C12 | H8 | 180.0° | 179.9° |
| C8 | C13 | C12 | C11 | 1.9° | 0.0° |
| C8 | C13 | C12 | C14 | 177.0° | 179.9° |
| C13 | C8 | C7 | H25 | 160.3° | 149.5° |
| C13 | C8 | C7 | H26 | 41.2° | 29.5° |
| C13 | C8 | C9 | H27 | 178.9° | 179.4° |
| C9 | C10 | F | C11 | 179.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.8° | 0.3° |
| C9 | C10 | C11 | H7 | 179.2° | 179.8° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | C14 | 178.9° | 180.0° |
| C13 | C12 | C14 | C15 | 5.7° | 0.0° |
| C13 | C12 | C14 | C17 | 175.9° | 179.7° |
| C13 | C12 | C11 | H7 | 179.6° | 180.0° |
| F | C10 | C11 | C12 | 178.1° | 180.0° |
| F | C10 | C11 | H7 | 1.9° | 0.0° |
| F | C10 | C9 | H27 | 1.5° | 0.3° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 178.6° | 179.9° |
| C11 | C10 | C9 | H27 | 179.5° | 179.4° |
| C11 | C12 | C14 | C15 | 175.3° | 180.0° |
| C11 | C12 | C14 | C17 | 3.1° | 0.2° |
| C11 | C12 | C13 | H8 | 178.1° | 179.9° |
| C12 | C14 | C15 | C17 | 178.7° | 179.8° |
| C12 | C14 | C15 | N2 | 179.7° | 180.0° |
| C12 | C14 | C17 | N3 | 179.8° | 180.0° |
| C14 | C12 | C11 | H7 | 1.4° | 0.0° |
| C14 | C12 | C13 | H8 | 3.0° | 0.0° |
| C12 | C14 | C15 | H9 | 0.3° | 0.0° |
| C12 | C14 | C17 | H13 | 0.2° | 0.1° |
| C14 | C15 | N2 | H9 | 180.0° | 179.9° |
| C15 | C14 | C17 | N3 | 1.1° | 0.2° |
| C14 | C15 | N2 | N3 | 0.5° | 0.1° |
| C15 | C14 | C17 | H13 | 179.0° | 179.7° |
| C17 | C14 | C15 | N2 | 1.0° | 0.2° |
| C14 | C17 | N3 | H13 | 180.0° | 180.0° |
| C14 | C17 | N3 | N2 | 0.8° | 0.2° |
| C14 | C17 | N3 | C16 | 178.5° | 180.0° |
| C17 | C14 | C15 | H9 | 179.0° | 179.8° |
| C15 | N2 | N3 | C17 | 0.2° | 0.0° |
| C15 | N2 | N3 | C16 | 179.2° | 179.8° |
| C17 | N3 | N2 | C16 | 179.4° | 179.8° |
| C17 | N3 | C16 | H10 | 179.3° | 89.9° |
| C17 | N3 | C16 | H11 | 59.3° | 150.0° |
| C17 | N3 | C16 | H12 | 60.7° | 29.9° |
| N3 | N2 | C15 | H9 | 179.5° | 179.9° |
| N2 | N3 | C16 | H10 | 0.0° | 90.3° |
| N2 | N3 | C16 | H11 | 120.0° | 29.8° |
| N2 | N3 | C16 | H12 | 120.0° | 149.9° |
| N2 | N3 | C17 | H13 | 179.2° | 179.8° |
| N3 | C16 | H10 | H11 | 120.0° | 120.1° |
| N3 | C16 | H10 | H12 | 120.0° | 120.0° |
| N3 | C16 | H11 | H12 | 120.0° | 120.1° |
| C16 | N3 | C17 | H13 | 1.4° | 0.0° |
| H2 | C | H3 | H4 | 120.0° | 120.1° |
| H5 | N1 | C7 | H25 | 34.6° | 120.0° |
| H5 | N1 | C7 | H26 | 153.7° | 120.0° |
| H10 | C16 | H11 | H12 | 120.0° | 119.9° |
| H14 | C18 | C19 | H16 | 30.9° | 148.3° |
| H14 | C18 | C19 | H17 | 90.9° | 24.5° |
| H15 | C18 | C19 | H16 | 153.2° | 26.4° |
| H15 | C18 | C19 | H17 | 31.4° | 97.3° |
| H18 | C21 | O1 | H28 | 59.9° | 60.0° |
| H19 | C21 | O1 | H28 | 59.9° | 60.0° |
| H20 | C22 | C23 | H21 | 3.2° | 145.0° |
| H20 | C22 | C23 | H22 | 145.0° | 0.0° |
| H20 | C22 | C24 | H23 | 145.5° | 0.0° |
| H20 | C22 | C24 | H24 | 5.3° | 145.0° |
| H21 | C23 | C24 | H23 | 141.0° | 145.0° |
| H21 | C23 | C24 | H24 | 0.8° | 0.1° |
| H22 | C23 | C24 | H23 | 0.8° | 0.1° |
| H22 | C23 | C24 | H24 | 141.0° | 145.0° |
