A1B9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.45Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.35Å | Aromatic |
| C7 | S2 | sing | 1.76Å | 1.75Å | Aromatic |
| C8 | N2 | sing | 1.31Å | 1.44Å | Aromatic |
| C22 | N3 | sing | 1.48Å | 1.47Å | |
| C22 | C10 | sing | 1.54Å | 1.52Å | |
| S2 | C9 | sing | 1.71Å | 1.76Å | Aromatic |
| N2 | C9 | doub | 1.29Å | 1.32Å | Aromatic |
| O1 | C12 | doub | 1.22Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.48Å | |
| N3 | C12 | sing | 1.35Å | 1.34Å | |
| N3 | C11 | sing | 1.48Å | 1.44Å | |
| C12 | C13 | sing | 1.46Å | 1.43Å | |
| C10 | C11 | sing | 1.54Å | 1.60Å | |
| C13 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.41Å | Aromatic |
| S1 | C16 | sing | 1.71Å | 1.75Å | Aromatic |
| O2 | C17 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.37Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.43Å | Aromatic |
| C16 | N4 | sing | 1.39Å | 1.37Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | N4 | sing | 1.35Å | 1.35Å | |
| C18 | N5 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.54Å | 1.51Å | |
| N5 | C21 | sing | 1.48Å | 1.49Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C19 | C20 | sing | 1.55Å | 1.51Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| N5 | H27 | sing | 1.01Å | 1.00Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 120.1° | 109.5° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | H3 | 106.8° | 109.4° |
| N1 | C1 | H4 | 106.8° | 109.5° |
| C1 | C2 | C23 | 122.9° | 119.9° |
| C1 | C2 | C3 | 118.7° | 119.9° |
| C2 | C1 | H3 | 106.7° | 109.5° |
| C2 | C1 | H4 | 106.7° | 109.5° |
| C23 | C2 | C3 | 118.5° | 120.1° |
| C2 | C23 | C6 | 120.9° | 119.8° |
| C2 | C23 | H25 | 119.6° | 120.1° |
| C2 | C3 | C4 | 120.8° | 120.3° |
| C2 | C3 | H5 | 119.6° | 119.8° |
| C23 | C6 | C5 | 119.1° | 119.7° |
| C23 | C6 | C7 | 121.6° | 120.2° |
| C6 | C23 | H25 | 119.6° | 120.1° |
| C3 | C4 | C5 | 120.2° | 120.2° |
| C3 | C4 | H6 | 119.9° | 119.9° |
| C4 | C3 | H5 | 119.5° | 119.9° |
| C5 | C6 | C7 | 119.3° | 120.1° |
| C6 | C5 | C4 | 120.5° | 119.8° |
| C6 | C5 | H7 | 119.7° | 120.1° |
| C6 | C7 | C8 | 127.2° | 126.1° |
| C6 | C7 | S2 | 121.6° | 126.1° |
| C5 | C4 | H6 | 119.9° | 119.9° |
| C4 | C5 | H7 | 119.7° | 120.1° |
| C8 | C7 | S2 | 111.1° | 107.8° |
| C7 | C8 | N2 | 113.8° | 114.2° |
| C7 | C8 | H8 | 123.1° | 122.9° |
| C7 | S2 | C9 | 90.2° | 90.3° |
| C8 | N2 | C9 | 111.9° | 117.3° |
| N2 | C8 | H8 | 123.1° | 122.9° |
| N3 | C22 | C10 | 86.1° | 86.2° |
| C22 | N3 | C12 | 129.1° | 134.6° |
| C22 | N3 | C11 | 93.6° | 91.0° |
| N3 | C22 | H23 | 114.9° | 113.7° |
| N3 | C22 | H24 | 115.0° | 113.8° |
| C22 | C10 | C9 | 119.8° | 113.8° |
| C22 | C10 | C11 | 85.9° | 86.3° |
| C22 | C10 | H9 | 110.8° | 113.9° |
| C10 | C22 | H23 | 115.0° | 113.7° |
| C10 | C22 | H24 | 115.0° | 113.8° |
| S2 | C9 | N2 | 112.9° | 110.3° |
| S2 | C9 | C10 | 121.0° | 124.8° |
| N2 | C9 | C10 | 126.1° | 124.8° |
| O1 | C12 | N3 | 119.1° | 120.0° |
| O1 | C12 | C13 | 116.9° | 120.0° |
| C9 | C10 | C11 | 117.1° | 113.7° |
| C9 | C10 | H9 | 111.2° | 112.9° |
| C12 | N3 | C11 | 136.8° | 134.4° |
| N3 | C12 | C13 | 124.0° | 120.0° |
| N3 | C11 | C10 | 84.1° | 86.2° |
| N3 | C11 | H11 | 115.4° | 113.8° |
| N3 | C11 | H10 | 115.4° | 113.8° |
| C12 | C13 | S1 | 120.9° | 125.3° |
| C12 | C13 | C14 | 125.5° | 125.3° |
| C10 | C11 | H11 | 115.4° | 113.7° |
| C10 | C11 | H10 | 115.4° | 113.8° |
| C11 | C10 | H9 | 109.6° | 113.7° |
| S1 | C13 | C14 | 113.5° | 109.3° |
| C13 | S1 | C16 | 91.7° | 91.7° |
| C13 | C14 | C15 | 111.7° | 113.5° |
| C13 | C14 | H12 | 124.2° | 123.2° |
| S1 | C16 | C15 | 111.4° | 110.7° |
| S1 | C16 | N4 | 127.7° | 124.7° |
| O2 | C17 | C18 | 116.2° | 120.0° |
| O2 | C17 | N4 | 122.9° | 120.0° |
| C14 | C15 | C16 | 111.6° | 114.8° |
| C15 | C14 | H12 | 124.1° | 123.3° |
| C14 | C15 | H13 | 124.2° | 122.6° |
| C15 | C16 | N4 | 120.9° | 124.6° |
| C16 | C15 | H13 | 124.2° | 122.7° |
| C16 | N4 | C17 | 121.3° | 120.0° |
| C16 | N4 | H14 | 119.4° | 120.0° |
| C18 | C17 | N4 | 120.7° | 120.0° |
| C17 | C18 | N5 | 113.7° | 109.9° |
| C17 | C18 | C19 | 115.0° | 109.9° |
| C17 | C18 | H15 | 107.4° | 109.9° |
| C17 | N4 | H14 | 119.3° | 120.1° |
| N5 | C18 | C19 | 105.2° | 107.2° |
| C18 | N5 | C21 | 97.5° | 108.6° |
| N5 | C18 | H15 | 107.9° | 109.9° |
| C18 | N5 | H27 | 112.4° | 111.0° |
| C18 | C19 | C20 | 100.6° | 103.0° |
| C19 | C18 | H15 | 107.4° | 110.0° |
| C18 | C19 | H16 | 111.6° | 110.7° |
| C18 | C19 | H17 | 111.7° | 110.7° |
| N5 | C21 | C20 | 106.4° | 104.8° |
| N5 | C21 | H21 | 110.3° | 110.4° |
| N5 | C21 | H20 | 110.2° | 110.4° |
| C21 | N5 | H27 | 112.4° | 111.0° |
| C21 | C20 | C19 | 104.8° | 101.6° |
| C21 | C20 | H19 | 110.6° | 111.0° |
| C21 | C20 | H18 | 110.6° | 111.1° |
| C20 | C21 | H21 | 110.2° | 110.4° |
| C20 | C21 | H20 | 110.3° | 110.3° |
| C20 | C19 | H16 | 111.6° | 110.7° |
| C20 | C19 | H17 | 111.6° | 110.7° |
| C19 | C20 | H19 | 110.6° | 110.9° |
| C19 | C20 | H18 | 110.6° | 111.0° |
| H11 | C11 | H10 | 109.5° | 113.0° |
| H1 | N1 | H2 | 109.4° | 111.0° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H16 | C19 | H17 | 109.4° | 110.8° |
| H19 | C20 | H18 | 109.5° | 110.9° |
| H21 | C21 | H20 | 109.4° | 110.3° |
| H23 | C22 | H24 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | H3 | 121.5° | 120.0° |
| N1 | C1 | C2 | H4 | 121.5° | 120.0° |
| N1 | C1 | C2 | C23 | 55.3° | 90.0° |
| N1 | C1 | C2 | C3 | 124.6° | 90.9° |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | H3 | H4 | 115.2° | 120.0° |
| C1 | C2 | C23 | C3 | 180.0° | 179.1° |
| C1 | C2 | C23 | C6 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.9° | 179.7° |
| C2 | C1 | N1 | H1 | 180.0° | 180.0° |
| C2 | C1 | N1 | H2 | 60.0° | 56.0° |
| C1 | C2 | C3 | H5 | 0.1° | 0.3° |
| C2 | C1 | H3 | H4 | 115.1° | 120.0° |
| C1 | C2 | C23 | H25 | 0.0° | 0.0° |
| C2 | C23 | C6 | H25 | 180.0° | 180.0° |
| C23 | C2 | C3 | C4 | 0.0° | 0.6° |
| C2 | C23 | C6 | C5 | 0.7° | 0.5° |
| C2 | C23 | C6 | C7 | 177.8° | 179.4° |
| C23 | C2 | C3 | H5 | 179.9° | 179.4° |
| C23 | C2 | C1 | H3 | 176.9° | 29.9° |
| C23 | C2 | C1 | H4 | 66.2° | 150.0° |
| C3 | C2 | C23 | C6 | 0.1° | 0.8° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | H6 | 179.1° | 179.7° |
| C3 | C2 | C1 | H3 | 3.1° | 149.2° |
| C3 | C2 | C1 | H4 | 113.9° | 29.2° |
| C3 | C2 | C23 | H25 | 180.0° | 179.2° |
| C23 | C6 | C5 | C7 | 177.2° | 179.9° |
| C23 | C6 | C5 | C4 | 1.5° | 0.0° |
| C23 | C6 | C7 | C8 | 26.2° | 0.1° |
| C23 | C6 | C7 | S2 | 149.3° | 179.7° |
| C23 | C6 | C5 | H7 | 178.5° | 180.0° |
| C3 | C4 | C5 | C6 | 1.6° | 0.3° |
| C3 | C4 | C5 | H6 | 180.0° | 179.8° |
| C3 | C4 | C5 | H7 | 178.4° | 179.8° |
| C6 | C5 | C4 | H7 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 156.7° | 180.0° |
| C5 | C6 | C7 | S2 | 27.9° | 0.3° |
| C6 | C5 | C4 | H6 | 178.4° | 180.0° |
| C5 | C6 | C23 | H25 | 179.3° | 179.5° |
| C7 | C6 | C5 | C4 | 178.8° | 179.9° |
| C6 | C7 | C8 | S2 | 175.8° | 179.7° |
| C6 | C7 | C8 | N2 | 179.0° | 180.0° |
| C6 | C7 | S2 | C9 | 177.2° | 179.9° |
| C7 | C6 | C5 | H7 | 1.3° | 0.1° |
| C6 | C7 | C8 | H8 | 1.0° | 0.0° |
| C7 | C6 | C23 | H25 | 2.1° | 0.6° |
| C5 | C4 | C3 | H5 | 179.1° | 179.9° |
| C7 | C8 | N2 | H8 | 180.0° | 180.0° |
| C8 | C7 | S2 | C9 | 1.0° | 0.3° |
| C7 | C8 | N2 | C9 | 4.4° | 0.0° |
| S2 | C7 | C8 | N2 | 3.2° | 0.3° |
| C7 | S2 | C9 | N2 | 1.5° | 0.3° |
| C7 | S2 | C9 | C10 | 177.1° | 179.9° |
| S2 | C7 | C8 | H8 | 176.8° | 179.7° |
| C8 | N2 | C9 | S2 | 3.5° | 0.3° |
| C8 | N2 | C9 | C10 | 175.0° | 180.0° |
| N3 | C22 | C10 | H23 | 115.7° | 114.3° |
| N3 | C22 | C10 | H24 | 115.8° | 114.4° |
| C22 | N3 | C12 | O1 | 1.7° | 179.9° |
| N3 | C22 | C10 | C9 | 141.8° | 137.8° |
| C22 | N3 | C12 | C11 | 169.7° | 179.9° |
| C22 | N3 | C12 | C13 | 177.4° | 0.1° |
| N3 | C22 | C10 | C11 | 22.8° | 23.5° |
| C22 | N3 | C11 | H11 | 91.2° | 138.8° |
| C22 | N3 | C11 | H10 | 139.5° | 89.8° |
| N3 | C22 | C10 | H9 | 86.6° | 90.8° |
| N3 | C22 | H23 | H24 | 131.1° | 131.7° |
| C22 | C10 | C9 | S2 | 108.8° | 143.0° |
| C22 | C10 | C9 | N2 | 69.6° | 36.7° |
| C22 | C10 | C9 | C11 | 101.5° | 96.7° |
| C22 | C10 | C9 | H9 | 131.4° | 131.8° |
| C10 | C22 | N3 | C12 | 147.5° | 155.4° |
| C22 | C10 | C11 | H9 | 110.6° | 114.5° |
| C22 | C10 | C11 | H11 | 91.9° | 137.9° |
| C22 | C10 | C11 | H10 | 138.7° | 90.8° |
| C10 | C22 | H23 | H24 | 131.2° | 131.7° |
| S2 | C9 | N2 | C10 | 178.5° | 179.7° |
| S2 | C9 | C10 | C11 | 7.3° | 120.3° |
| S2 | C9 | C10 | H9 | 119.8° | 11.2° |
| N2 | C9 | C10 | C11 | 171.1° | 60.0° |
| C9 | N2 | C8 | H8 | 175.6° | 180.0° |
| N2 | C9 | C10 | H9 | 61.8° | 168.5° |
| O1 | C12 | N3 | C13 | 179.1° | 180.0° |
| O1 | C12 | N3 | C11 | 171.4° | 0.0° |
| O1 | C12 | C13 | S1 | 155.5° | 180.0° |
| O1 | C12 | C13 | C14 | 22.2° | 0.0° |
| C9 | C10 | C11 | N3 | 144.9° | 137.9° |
| C9 | C10 | C11 | H9 | 127.9° | 131.1° |
| C9 | C10 | C11 | H11 | 29.6° | 107.7° |
| C9 | C10 | C11 | H10 | 99.7° | 23.6° |
| C9 | C10 | C22 | H23 | 102.5° | 23.5° |
| C9 | C10 | C22 | H24 | 26.0° | 107.8° |
| C12 | N3 | C11 | C10 | 147.9° | 155.4° |
| N3 | C12 | C13 | S1 | 25.4° | 0.1° |
| N3 | C12 | C13 | C14 | 156.9° | 180.0° |
| C12 | N3 | C11 | H11 | 96.8° | 41.1° |
| C12 | N3 | C11 | H10 | 32.5° | 90.3° |
| C12 | N3 | C22 | H23 | 31.7° | 90.4° |
| C12 | N3 | C22 | H24 | 96.7° | 41.0° |
| C11 | N3 | C12 | C13 | 7.7° | 180.0° |
| N3 | C11 | C10 | H11 | 115.4° | 114.3° |
| N3 | C11 | C10 | H10 | 115.3° | 114.4° |
| N3 | C11 | H11 | H10 | 132.1° | 131.8° |
| N3 | C11 | C10 | H9 | 87.2° | 90.9° |
| C11 | N3 | C22 | H23 | 141.2° | 89.7° |
| C11 | N3 | C22 | H24 | 90.3° | 138.9° |
| C12 | C13 | S1 | C14 | 178.0° | 180.0° |
| C12 | C13 | S1 | C16 | 179.6° | 179.9° |
| C12 | C13 | C14 | C15 | 179.2° | 180.0° |
| C12 | C13 | C14 | H12 | 0.8° | 0.2° |
| C10 | C11 | H11 | H10 | 132.2° | 131.7° |
| C11 | C10 | C22 | H23 | 138.5° | 90.8° |
| C11 | C10 | C22 | H24 | 93.0° | 137.9° |
| S1 | C13 | C14 | C15 | 1.3° | 0.0° |
| C13 | S1 | C16 | C15 | 1.6° | 0.3° |
| C13 | S1 | C16 | N4 | 180.0° | 180.0° |
| S1 | C13 | C14 | H12 | 178.7° | 179.7° |
| C14 | C13 | S1 | C16 | 1.6° | 0.2° |
| C13 | C14 | C15 | H12 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C13 | C14 | C15 | H13 | 179.9° | 179.8° |
| S1 | C16 | C15 | C14 | 1.1° | 0.4° |
| S1 | C16 | C15 | N4 | 178.6° | 179.7° |
| S1 | C16 | N4 | C17 | 3.7° | 0.4° |
| S1 | C16 | C15 | H13 | 178.9° | 179.7° |
| S1 | C16 | N4 | H14 | 176.3° | 179.6° |
| O2 | C17 | N4 | C16 | 9.2° | 0.0° |
| O2 | C17 | C18 | N4 | 175.2° | 180.0° |
| O2 | C17 | C18 | N5 | 164.1° | 18.5° |
| O2 | C17 | C18 | C19 | 74.6° | 99.2° |
| O2 | C17 | N4 | H14 | 170.8° | 180.0° |
| O2 | C17 | C18 | H15 | 44.8° | 139.6° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | N4 | 179.7° | 180.0° |
| C15 | C16 | N4 | C17 | 174.7° | 180.0° |
| C16 | C15 | C14 | H12 | 179.9° | 180.0° |
| C15 | C16 | N4 | H14 | 5.3° | 0.0° |
| C16 | N4 | C17 | C18 | 165.7° | 180.0° |
| C16 | N4 | C17 | H14 | 180.0° | 180.0° |
| N4 | C16 | C15 | H13 | 0.3° | 0.0° |
| C17 | C18 | N5 | C19 | 126.7° | 119.4° |
| C17 | C18 | N5 | H15 | 119.0° | 121.1° |
| C17 | C18 | C19 | H15 | 119.4° | 121.2° |
| C17 | C18 | N5 | C21 | 177.4° | 118.4° |
| C17 | C18 | C19 | C20 | 168.3° | 141.7° |
| C18 | C17 | N4 | H14 | 14.3° | 0.0° |
| C17 | C18 | C19 | H16 | 49.8° | 23.3° |
| C17 | C18 | C19 | H17 | 73.1° | 100.0° |
| C17 | C18 | N5 | H27 | 64.6° | 119.3° |
| N4 | C17 | C18 | N5 | 11.2° | 161.5° |
| N4 | C17 | C18 | C19 | 110.2° | 80.8° |
| N4 | C17 | C18 | H15 | 130.5° | 40.4° |
| N5 | C18 | C19 | H15 | 114.7° | 119.4° |
| C18 | N5 | C21 | H27 | 118.0° | 122.3° |
| C18 | N5 | C21 | C20 | 39.2° | 24.2° |
| N5 | C18 | C19 | C20 | 42.5° | 22.3° |
| N5 | C18 | C19 | H16 | 76.1° | 96.1° |
| N5 | C18 | C19 | H17 | 161.0° | 140.6° |
| C18 | N5 | C21 | H21 | 80.3° | 94.7° |
| C18 | N5 | C21 | H20 | 158.8° | 143.0° |
| C19 | C18 | N5 | C21 | 50.8° | 1.0° |
| C18 | C19 | C20 | C21 | 15.8° | 35.7° |
| C18 | C19 | C20 | H16 | 118.6° | 118.4° |
| C18 | C19 | C20 | H17 | 118.6° | 118.3° |
| C18 | C19 | H16 | H17 | 124.1° | 123.2° |
| C18 | C19 | C20 | H19 | 103.4° | 153.8° |
| C18 | C19 | C20 | H18 | 135.1° | 82.5° |
| C19 | C18 | N5 | H27 | 168.7° | 121.3° |
| N5 | C21 | C20 | H21 | 119.5° | 118.9° |
| N5 | C21 | C20 | H20 | 119.5° | 118.9° |
| N5 | C21 | C20 | C19 | 14.5° | 37.2° |
| C21 | N5 | C18 | H15 | 63.6° | 120.6° |
| N5 | C21 | C20 | H19 | 133.8° | 155.1° |
| N5 | C21 | C20 | H18 | 104.7° | 81.0° |
| N5 | C21 | H21 | H20 | 121.4° | 122.4° |
| C21 | C20 | C19 | H19 | 119.3° | 118.0° |
| C21 | C20 | C19 | H18 | 119.2° | 118.2° |
| C21 | C20 | C19 | H16 | 102.7° | 82.7° |
| C21 | C20 | C19 | H17 | 134.4° | 154.0° |
| C21 | C20 | H19 | H18 | 122.1° | 124.0° |
| C20 | C21 | H21 | H20 | 121.4° | 122.2° |
| C20 | C21 | N5 | H27 | 157.2° | 98.1° |
| C20 | C19 | C18 | H15 | 72.3° | 97.1° |
| C20 | C19 | H16 | H17 | 124.1° | 123.2° |
| C19 | C20 | H19 | H18 | 122.2° | 123.9° |
| C19 | C20 | C21 | H21 | 105.0° | 81.7° |
| C19 | C20 | C21 | H20 | 134.1° | 156.0° |
| H6 | C4 | C5 | H7 | 1.6° | 0.0° |
| H6 | C4 | C3 | H5 | 0.9° | 0.3° |
| H12 | C14 | C15 | H13 | 0.1° | 0.1° |
| H11 | C11 | C10 | H9 | 157.5° | 23.4° |
| H10 | C11 | C10 | H9 | 28.2° | 154.7° |
| H9 | C10 | C22 | H23 | 29.1° | 154.9° |
| H9 | C10 | C22 | H24 | 157.6° | 23.5° |
| H1 | N1 | C1 | H3 | 58.5° | 60.0° |
| H1 | N1 | C1 | H4 | 58.5° | 60.0° |
| H2 | N1 | C1 | H3 | 61.5° | 64.0° |
| H2 | N1 | C1 | H4 | 178.5° | 176.0° |
| H15 | C18 | C19 | H16 | 169.2° | 144.4° |
| H15 | C18 | C19 | H17 | 46.3° | 21.2° |
| H15 | C18 | N5 | H27 | 54.4° | 1.8° |
| H16 | C19 | C20 | H19 | 138.0° | 35.4° |
| H16 | C19 | C20 | H18 | 16.5° | 159.1° |
| H17 | C19 | C20 | H19 | 15.1° | 87.9° |
| H17 | C19 | C20 | H18 | 106.4° | 35.8° |
| H19 | C20 | C21 | H21 | 14.3° | 36.3° |
| H19 | C20 | C21 | H20 | 106.7° | 86.0° |
| H18 | C20 | C21 | H21 | 135.7° | 160.1° |
| H18 | C20 | C21 | H20 | 14.8° | 37.8° |
| H21 | C21 | N5 | H27 | 37.7° | 143.0° |
| H20 | C21 | N5 | H27 | 83.2° | 20.7° |
