XFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.55Å | 1.45Å | |
| C23 | O2 | sing | 1.45Å | 1.47Å | |
| C24 | O3 | sing | 1.43Å | 1.48Å | |
| C24 | C25 | sing | 1.54Å | 1.48Å | |
| O2 | N7 | sing | 1.48Å | 1.42Å | |
| C25 | N7 | sing | 1.48Å | 1.36Å | |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| N7 | C22 | sing | 1.47Å | 1.27Å | |
| C22 | C19 | sing | 1.51Å | 1.57Å | |
| C20 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | N6 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | C18 | doub | 1.35Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| N6 | N5 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| N5 | C15 | sing | 1.40Å | 1.46Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| O1 | C9 | doub | 1.21Å | 1.20Å | |
| C9 | C8 | sing | 1.42Å | 1.54Å | |
| C15 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C15 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| N3 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C6 | sing | 1.48Å | 1.47Å | Aromatic |
| C17 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C7 | N1 | sing | 1.35Å | 1.25Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.43Å | Aromatic |
| C14 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | N2 | sing | 1.38Å | 1.46Å | |
| N1 | C1 | sing | 1.38Å | 1.29Å | Aromatic |
| N1 | C13 | sing | 1.47Å | 1.47Å | |
| C4 | N2 | sing | 1.40Å | 1.46Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H25 | sing | 1.08Å | 1.08Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| O3 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | O2 | 101.8° | 103.9° |
| C23 | C24 | O3 | 110.9° | 110.4° |
| C23 | C24 | C25 | 109.3° | 104.5° |
| C24 | C23 | H18 | 111.3° | 110.5° |
| C24 | C23 | H19 | 111.4° | 110.6° |
| C23 | C24 | H20 | 109.0° | 110.4° |
| C23 | O2 | N7 | 107.1° | 104.6° |
| O2 | C23 | H18 | 111.3° | 110.5° |
| O2 | C23 | H19 | 111.3° | 110.5° |
| O3 | C24 | C25 | 110.6° | 110.5° |
| O3 | C24 | H20 | 108.5° | 110.4° |
| C24 | O3 | H27 | 109.5° | 114.0° |
| C24 | C25 | N7 | 105.6° | 105.0° |
| C25 | C24 | H20 | 108.5° | 110.6° |
| C24 | C25 | H21 | 110.4° | 110.3° |
| C24 | C25 | H22 | 110.4° | 110.3° |
| O2 | N7 | C25 | 108.7° | 105.4° |
| O2 | N7 | C22 | 111.6° | 111.0° |
| C25 | N7 | C22 | 116.7° | 111.0° |
| N7 | C25 | H21 | 110.4° | 110.3° |
| N7 | C25 | H22 | 110.4° | 110.3° |
| C21 | C20 | C19 | 125.8° | 125.8° |
| C21 | C20 | N6 | 125.0° | 125.8° |
| C20 | C21 | H13 | 109.5° | 109.5° |
| C20 | C21 | H14 | 109.5° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| N7 | C22 | C19 | 117.8° | 109.5° |
| N7 | C22 | H16 | 107.3° | 109.5° |
| N7 | C22 | H17 | 107.3° | 109.5° |
| C22 | C19 | C20 | 122.7° | 126.0° |
| C22 | C19 | C18 | 130.0° | 126.0° |
| C19 | C22 | H16 | 107.3° | 109.5° |
| C19 | C22 | H17 | 107.4° | 109.5° |
| C19 | C20 | N6 | 109.1° | 108.4° |
| C20 | C19 | C18 | 107.3° | 107.9° |
| C20 | N6 | N5 | 107.4° | 108.3° |
| C19 | C18 | N5 | 107.1° | 107.7° |
| C19 | C18 | H11 | 126.4° | 126.2° |
| C12 | C11 | C10 | 60.0° | 60.0° |
| C11 | C12 | C10 | 59.7° | 60.0° |
| C12 | C11 | H2 | 120.0° | 117.5° |
| C12 | C11 | H3 | 120.0° | 117.5° |
| C11 | C12 | H4 | 120.0° | 117.5° |
| C11 | C12 | H5 | 120.1° | 117.5° |
| C11 | C10 | C12 | 60.3° | 60.0° |
| C11 | C10 | C9 | 114.7° | 117.5° |
| C11 | C10 | H1 | 117.6° | 117.5° |
| C10 | C11 | H2 | 120.0° | 117.5° |
| C10 | C11 | H3 | 120.0° | 117.5° |
| N6 | N5 | C18 | 109.0° | 107.7° |
| N6 | N5 | C15 | 122.3° | 126.1° |
| C18 | N5 | C15 | 128.7° | 126.1° |
| N5 | C18 | H11 | 126.5° | 126.2° |
| C12 | C10 | C9 | 116.7° | 117.5° |
| C12 | C10 | H1 | 117.6° | 117.5° |
| C10 | C12 | H4 | 120.0° | 117.5° |
| C10 | C12 | H5 | 120.1° | 117.5° |
| N5 | C15 | C16 | 118.4° | 120.4° |
| N5 | C15 | N3 | 121.1° | 120.5° |
| C10 | C9 | O1 | 121.6° | 120.0° |
| C10 | C9 | C8 | 118.0° | 120.0° |
| C9 | C10 | H1 | 117.4° | 115.6° |
| O1 | C9 | C8 | 120.5° | 120.0° |
| C9 | C8 | C7 | 128.7° | 126.9° |
| C9 | C8 | C6 | 124.4° | 126.9° |
| C16 | C15 | N3 | 120.5° | 119.1° |
| C15 | C16 | C17 | 119.5° | 118.4° |
| C15 | C16 | H9 | 120.2° | 120.8° |
| C15 | N3 | C14 | 119.8° | 120.7° |
| C16 | C17 | N4 | 119.6° | 119.3° |
| C17 | C16 | H9 | 120.3° | 120.8° |
| C16 | C17 | H10 | 120.2° | 120.3° |
| N3 | C14 | N4 | 119.8° | 121.6° |
| N3 | C14 | N2 | 123.3° | 119.2° |
| C7 | C8 | C6 | 106.8° | 106.2° |
| C8 | C7 | N1 | 104.1° | 109.6° |
| C8 | C7 | H25 | 127.9° | 125.2° |
| C8 | C6 | C5 | 136.5° | 133.9° |
| C8 | C6 | C1 | 104.4° | 105.9° |
| C17 | N4 | C14 | 120.7° | 120.9° |
| N4 | C17 | H10 | 120.2° | 120.3° |
| C7 | N1 | C1 | 122.6° | 110.7° |
| C7 | N1 | C13 | 119.4° | 124.6° |
| N1 | C7 | H25 | 128.0° | 125.2° |
| C6 | C5 | C4 | 118.2° | 119.6° |
| C5 | C6 | C1 | 119.1° | 120.2° |
| C6 | C5 | H24 | 120.9° | 120.2° |
| C5 | C4 | N2 | 122.5° | 119.9° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C4 | C5 | H24 | 120.9° | 120.2° |
| C6 | C1 | N1 | 102.1° | 107.6° |
| C6 | C1 | C2 | 121.8° | 119.5° |
| N4 | C14 | N2 | 116.9° | 119.2° |
| C14 | N2 | C4 | 127.0° | 120.0° |
| C14 | N2 | H26 | 116.5° | 120.0° |
| C1 | N1 | C13 | 118.1° | 124.7° |
| N1 | C1 | C2 | 136.2° | 132.9° |
| N1 | C13 | H6 | 109.5° | 109.4° |
| N1 | C13 | H7 | 109.5° | 109.4° |
| N1 | C13 | H8 | 109.5° | 109.5° |
| N2 | C4 | C3 | 116.9° | 120.0° |
| C4 | N2 | H26 | 116.5° | 120.0° |
| C4 | C3 | C2 | 120.2° | 120.5° |
| C4 | C3 | H23 | 119.9° | 119.7° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C1 | C2 | H12 | 120.0° | 120.0° |
| C3 | C2 | H12 | 119.9° | 120.0° |
| C2 | C3 | H23 | 119.9° | 119.7° |
| H2 | C11 | H3 | 109.5° | 115.6° |
| H4 | C12 | H5 | 109.5° | 115.5° |
| H6 | C13 | H7 | 109.4° | 109.5° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H13 | C21 | H15 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 110.6° |
| H21 | C25 | H22 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | O2 | H18 | 118.7° | 118.6° |
| C24 | C23 | O2 | H19 | 118.8° | 118.6° |
| C23 | C24 | O3 | C25 | 121.4° | 115.1° |
| C23 | C24 | O3 | H20 | 119.7° | 122.4° |
| C23 | C24 | C25 | H20 | 118.8° | 118.8° |
| C24 | C23 | O2 | N7 | 24.5° | 39.0° |
| C23 | C24 | C25 | N7 | 3.1° | 0.8° |
| C24 | C23 | H18 | H19 | 123.6° | 122.8° |
| C23 | C24 | C25 | H21 | 116.2° | 118.1° |
| C23 | C24 | C25 | H22 | 122.5° | 119.7° |
| C23 | C24 | O3 | H27 | 180.0° | 61.4° |
| O2 | C23 | C24 | O3 | 135.3° | 142.1° |
| O2 | C23 | C24 | C25 | 13.2° | 23.3° |
| C23 | O2 | N7 | C25 | 28.5° | 40.4° |
| C23 | O2 | N7 | C22 | 158.6° | 160.7° |
| O2 | C23 | H18 | H19 | 123.5° | 122.7° |
| O2 | C23 | C24 | H20 | 105.3° | 95.5° |
| O3 | C24 | C25 | H20 | 118.9° | 122.5° |
| O3 | C24 | C25 | N7 | 119.2° | 118.0° |
| O3 | C24 | C23 | H18 | 16.6° | 23.5° |
| O3 | C24 | C23 | H19 | 105.9° | 99.3° |
| O3 | C24 | C25 | H21 | 121.5° | 123.1° |
| O3 | C24 | C25 | H22 | 0.2° | 0.9° |
| C24 | C25 | N7 | O2 | 19.2° | 24.3° |
| C24 | C25 | N7 | H21 | 119.4° | 118.9° |
| C24 | C25 | N7 | H22 | 119.4° | 118.9° |
| C24 | C25 | N7 | C22 | 146.5° | 144.6° |
| C25 | C24 | C23 | H18 | 105.6° | 95.2° |
| C25 | C24 | C23 | H19 | 131.9° | 142.0° |
| C24 | C25 | H21 | H22 | 121.8° | 122.2° |
| C25 | C24 | O3 | H27 | 58.7° | 176.4° |
| O2 | N7 | C25 | C22 | 127.3° | 120.3° |
| O2 | N7 | C22 | C19 | 168.5° | 68.1° |
| O2 | N7 | C22 | H16 | 70.4° | 171.9° |
| O2 | N7 | C22 | H17 | 47.2° | 51.9° |
| N7 | O2 | C23 | H18 | 94.2° | 79.6° |
| N7 | O2 | C23 | H19 | 143.3° | 157.6° |
| O2 | N7 | C25 | H21 | 100.2° | 94.6° |
| O2 | N7 | C25 | H22 | 138.6° | 143.2° |
| C25 | N7 | C22 | C19 | 42.6° | 175.0° |
| C25 | N7 | C22 | H16 | 163.8° | 55.0° |
| C25 | N7 | C22 | H17 | 78.6° | 65.0° |
| N7 | C25 | C24 | H20 | 121.9° | 119.6° |
| N7 | C25 | H21 | H22 | 121.8° | 122.2° |
| C21 | C20 | C19 | C22 | 1.1° | 0.0° |
| C21 | C20 | C19 | N6 | 179.5° | 180.0° |
| C21 | C20 | C19 | C18 | 179.4° | 180.0° |
| C21 | C20 | N6 | N5 | 180.0° | 180.0° |
| C20 | C21 | H13 | H14 | 120.0° | 120.0° |
| C20 | C21 | H13 | H15 | 120.0° | 120.0° |
| C20 | C21 | H14 | H15 | 120.0° | 120.0° |
| N7 | C22 | C19 | H16 | 121.2° | 120.0° |
| N7 | C22 | C19 | H17 | 121.2° | 120.0° |
| N7 | C22 | C19 | C20 | 137.0° | 80.0° |
| N7 | C22 | C19 | C18 | 45.0° | 100.0° |
| N7 | C22 | H16 | H17 | 116.2° | 120.0° |
| C22 | N7 | C25 | H21 | 27.1° | 25.7° |
| C22 | N7 | C25 | H22 | 94.1° | 96.6° |
| C22 | C19 | C20 | C18 | 178.3° | 180.0° |
| C22 | C19 | C20 | N6 | 179.4° | 180.0° |
| C22 | C19 | C18 | N5 | 179.4° | 180.0° |
| C22 | C19 | C18 | H11 | 0.6° | 0.3° |
| C19 | C22 | H16 | H17 | 116.2° | 120.0° |
| C19 | C20 | N6 | N5 | 0.4° | 0.0° |
| C20 | C19 | C18 | N5 | 1.3° | 0.0° |
| C20 | C19 | C18 | H11 | 178.8° | 179.7° |
| C19 | C20 | C21 | H13 | 179.5° | 90.0° |
| C19 | C20 | C21 | H14 | 60.5° | 150.0° |
| C19 | C20 | C21 | H15 | 59.5° | 30.0° |
| C20 | C19 | C22 | H16 | 101.8° | 160.0° |
| C20 | C19 | C22 | H17 | 15.8° | 40.0° |
| N6 | C20 | C19 | C18 | 1.1° | 0.0° |
| C20 | N6 | N5 | C18 | 0.4° | 0.0° |
| C20 | N6 | N5 | C15 | 178.9° | 179.7° |
| N6 | C20 | C21 | H13 | 0.0° | 90.0° |
| N6 | C20 | C21 | H14 | 120.0° | 30.0° |
| N6 | C20 | C21 | H15 | 120.0° | 150.0° |
| C19 | C18 | N5 | N6 | 1.0° | 0.0° |
| C19 | C18 | N5 | H11 | 180.0° | 179.7° |
| C19 | C18 | N5 | C15 | 179.4° | 179.7° |
| C18 | C19 | C22 | H16 | 76.2° | 20.0° |
| C18 | C19 | C22 | H17 | 166.2° | 140.0° |
| C12 | C11 | C10 | H2 | 109.5° | 107.5° |
| C12 | C11 | C10 | H3 | 109.5° | 107.5° |
| C11 | C12 | C10 | H4 | 109.4° | 107.5° |
| C11 | C12 | C10 | H5 | 109.4° | 107.5° |
| C12 | C11 | C10 | C9 | 107.9° | 107.5° |
| C12 | C11 | C10 | H1 | 107.6° | 107.5° |
| C12 | C11 | H2 | H3 | 144.8° | 145.8° |
| C11 | C12 | H4 | H5 | 144.9° | 145.6° |
| C11 | C10 | C9 | H1 | 144.5° | 145.6° |
| C11 | C10 | C9 | O1 | 44.9° | 24.9° |
| C11 | C10 | C9 | C8 | 135.5° | 155.1° |
| C10 | C11 | H2 | H3 | 144.7° | 145.7° |
| N6 | N5 | C18 | C15 | 178.4° | 179.6° |
| N6 | N5 | C15 | C16 | 1.5° | 0.4° |
| N6 | N5 | C15 | N3 | 177.0° | 179.4° |
| N6 | N5 | C18 | H11 | 179.0° | 179.7° |
| C18 | N5 | C15 | C16 | 179.7° | 180.0° |
| C18 | N5 | C15 | N3 | 1.2° | 0.2° |
| C12 | C10 | C9 | H1 | 147.7° | 145.7° |
| C12 | C10 | C9 | O1 | 22.9° | 43.7° |
| C12 | C10 | C9 | C8 | 156.8° | 136.3° |
| C10 | C12 | H4 | H5 | 144.9° | 145.7° |
| N5 | C15 | C16 | N3 | 178.5° | 179.8° |
| N5 | C15 | C16 | C17 | 179.9° | 180.0° |
| N5 | C15 | N3 | C14 | 179.6° | 179.7° |
| N5 | C15 | C16 | H9 | 0.1° | 0.3° |
| C15 | N5 | C18 | H11 | 0.6° | 0.1° |
| C10 | C9 | O1 | C8 | 179.7° | 180.0° |
| C10 | C9 | C8 | C7 | 3.6° | 0.0° |
| C10 | C9 | C8 | C6 | 176.3° | 179.8° |
| C9 | C10 | C11 | H2 | 1.6° | 145.0° |
| C9 | C10 | C11 | H3 | 142.6° | 0.0° |
| C9 | C10 | C12 | H4 | 146.0° | 0.0° |
| C9 | C10 | C12 | H5 | 4.8° | 145.0° |
| O1 | C9 | C8 | C7 | 176.8° | 180.0° |
| O1 | C9 | C8 | C6 | 3.4° | 0.2° |
| O1 | C9 | C10 | H1 | 170.6° | 170.5° |
| C9 | C8 | C7 | C6 | 179.8° | 179.8° |
| C9 | C8 | C7 | N1 | 179.7° | 180.0° |
| C9 | C8 | C6 | C5 | 0.3° | 0.2° |
| C9 | C8 | C6 | C1 | 179.9° | 179.8° |
| C8 | C9 | C10 | H1 | 9.0° | 9.5° |
| C9 | C8 | C7 | H25 | 0.3° | 0.4° |
| C15 | C16 | C17 | H9 | 180.0° | 179.7° |
| C16 | C15 | N3 | C14 | 1.1° | 0.1° |
| C15 | C16 | C17 | N4 | 0.6° | 0.5° |
| C15 | C16 | C17 | H10 | 179.3° | 180.0° |
| N3 | C15 | C16 | C17 | 1.3° | 0.2° |
| C15 | N3 | C14 | N4 | 0.2° | 0.1° |
| C15 | N3 | C14 | N2 | 179.9° | 179.8° |
| N3 | C15 | C16 | H9 | 178.7° | 180.0° |
| C16 | C17 | N4 | H10 | 180.0° | 179.5° |
| C16 | C17 | N4 | C14 | 0.2° | 0.5° |
| N3 | C14 | N4 | C17 | 0.5° | 0.1° |
| N3 | C14 | N4 | N2 | 179.7° | 179.9° |
| N3 | C14 | N2 | C4 | 5.0° | 174.7° |
| N3 | C14 | N2 | H26 | 175.0° | 5.4° |
| C8 | C7 | N1 | H25 | 180.0° | 179.6° |
| C7 | C8 | C6 | C5 | 179.6° | 180.0° |
| C7 | C8 | C6 | C1 | 0.1° | 0.0° |
| C8 | C7 | N1 | C1 | 0.3° | 0.4° |
| C8 | C7 | N1 | C13 | 180.0° | 180.0° |
| C6 | C8 | C7 | N1 | 0.1° | 0.2° |
| C8 | C6 | C5 | C1 | 179.6° | 179.9° |
| C8 | C6 | C5 | C4 | 179.9° | 179.9° |
| C8 | C6 | C1 | N1 | 0.2° | 0.2° |
| C8 | C6 | C1 | C2 | 179.7° | 180.0° |
| C8 | C6 | C5 | H24 | 0.1° | 0.0° |
| C6 | C8 | C7 | H25 | 179.9° | 179.8° |
| C17 | N4 | C14 | N2 | 179.2° | 180.0° |
| N4 | C17 | C16 | H9 | 179.3° | 179.8° |
| C7 | N1 | C1 | C6 | 0.4° | 0.4° |
| C7 | N1 | C1 | C13 | 179.7° | 179.6° |
| C7 | N1 | C1 | C2 | 179.7° | 179.9° |
| C7 | N1 | C13 | H6 | 180.0° | 90.0° |
| C7 | N1 | C13 | H7 | 60.0° | 150.0° |
| C7 | N1 | C13 | H8 | 60.0° | 29.9° |
| C6 | C5 | C4 | H24 | 180.0° | 180.0° |
| C5 | C6 | C1 | N1 | 179.5° | 179.8° |
| C6 | C5 | C4 | N2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.3° | 0.1° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.0° |
| C5 | C4 | N2 | C14 | 5.8° | 33.8° |
| C5 | C4 | N2 | C3 | 178.7° | 179.9° |
| C5 | C4 | C3 | C2 | 1.6° | 0.1° |
| C5 | C4 | C3 | H23 | 178.5° | 180.0° |
| C5 | C4 | N2 | H26 | 174.2° | 146.3° |
| C6 | C1 | N1 | C2 | 179.4° | 179.7° |
| C6 | C1 | N1 | C13 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.1° |
| C6 | C1 | C2 | H12 | 179.7° | 180.0° |
| C1 | C6 | C5 | H24 | 179.5° | 180.0° |
| N4 | C14 | N2 | C4 | 175.3° | 5.4° |
| C14 | N4 | C17 | H10 | 179.8° | 179.9° |
| N4 | C14 | N2 | H26 | 4.6° | 174.5° |
| C14 | N2 | C4 | H26 | 180.0° | 179.9° |
| C14 | N2 | C4 | C3 | 175.5° | 146.3° |
| N1 | C1 | C2 | C3 | 179.0° | 179.8° |
| C1 | N1 | C13 | H6 | 0.3° | 90.4° |
| C1 | N1 | C13 | H7 | 119.7° | 29.5° |
| C1 | N1 | C13 | H8 | 120.3° | 149.6° |
| N1 | C1 | C2 | H12 | 1.0° | 0.3° |
| C1 | N1 | C7 | H25 | 179.7° | 180.0° |
| C13 | N1 | C1 | C2 | 0.6° | 0.3° |
| N1 | C13 | H6 | H7 | 120.0° | 120.0° |
| N1 | C13 | H6 | H8 | 120.0° | 120.0° |
| N1 | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | N1 | C7 | H25 | 0.0° | 0.5° |
| N2 | C4 | C3 | C2 | 179.7° | 180.0° |
| N2 | C4 | C3 | H23 | 0.3° | 0.1° |
| N2 | C4 | C5 | H24 | 0.0° | 0.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.1° |
| C4 | C3 | C2 | H23 | 180.0° | 179.9° |
| C4 | C3 | C2 | H12 | 179.0° | 180.0° |
| C3 | C4 | C5 | H24 | 178.7° | 179.9° |
| C3 | C4 | N2 | H26 | 4.5° | 33.6° |
| C1 | C2 | C3 | H12 | 180.0° | 179.9° |
| C1 | C2 | C3 | H23 | 179.0° | 180.0° |
| H1 | C10 | C11 | H2 | 142.9° | 0.1° |
| H1 | C10 | C11 | H3 | 1.8° | 145.0° |
| H1 | C10 | C12 | H4 | 1.6° | 145.1° |
| H1 | C10 | C12 | H5 | 142.9° | 0.0° |
| H2 | C11 | C12 | H4 | 141.2° | 145.0° |
| H2 | C11 | C12 | H5 | 0.0° | 0.1° |
| H3 | C11 | C12 | H4 | 0.1° | 0.1° |
| H3 | C11 | C12 | H5 | 141.1° | 145.0° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C16 | C17 | H10 | 0.7° | 0.3° |
| H12 | C2 | C3 | H23 | 1.0° | 0.1° |
| H13 | C21 | H14 | H15 | 119.9° | 120.0° |
| H18 | C23 | C24 | H20 | 135.9° | 145.9° |
| H19 | C23 | C24 | H20 | 13.4° | 23.1° |
| H20 | C24 | C25 | H21 | 2.5° | 0.7° |
| H20 | C24 | C25 | H22 | 118.7° | 121.5° |
| H20 | C24 | O3 | H27 | 60.3° | 61.0° |
