A4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C11 | sing | 1.51Å | 1.51Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C14 | C7 | sing | 1.51Å | 1.53Å | |
| C5 | C2 | sing | 1.54Å | 1.50Å | |
| C5 | C1 | sing | 1.53Å | 1.55Å | |
| C6 | C3 | sing | 1.54Å | 1.53Å | |
| C6 | C1 | sing | 1.53Å | 1.57Å | |
| C11 | C20 | sing | 1.53Å | 1.54Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C7 | N1 | sing | 1.35Å | 1.32Å | Aromatic |
| C7 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.54Å | 1.50Å | |
| C8 | C2 | sing | 1.55Å | 1.46Å | |
| C9 | C3 | sing | 1.55Å | 1.51Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | N2 | sing | 1.47Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | N5 | sing | 1.47Å | 1.46Å | |
| C13 | C15 | sing | 1.51Å | 1.54Å | |
| N1 | C1 | sing | 1.47Å | 1.56Å | |
| N2 | C3 | sing | 1.49Å | 1.49Å | |
| N2 | C2 | sing | 1.49Å | 1.47Å | |
| N3 | N4 | sing | 1.29Å | 1.18Å | Aromatic |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C17 | sing | 1.53Å | 1.52Å | |
| C23 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | F1 | sing | 1.40Å | 1.29Å | |
| C18 | F2 | sing | 1.40Å | 1.34Å | |
| C18 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.47Å | |
| C22 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | O1 | doub | 1.21Å | 1.23Å | |
| C16 | N5 | sing | 1.35Å | 1.33Å | |
| C15 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| C15 | C26 | doub | 1.33Å | 1.33Å | Aromatic |
| C25 | C27 | doub | 1.33Å | 1.32Å | Aromatic |
| C27 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| S1 | C26 | sing | 1.76Å | 1.60Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C19 | H40 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C4 | N1 | 126.2° | 126.4° |
| C11 | C4 | N3 | 122.0° | 126.3° |
| C4 | C11 | C20 | 109.8° | 109.5° |
| C4 | C11 | C19 | 109.7° | 109.5° |
| C4 | C11 | H8 | 108.9° | 109.4° |
| N1 | C4 | N3 | 111.8° | 107.3° |
| C4 | N1 | C7 | 99.8° | 106.1° |
| C4 | N1 | C1 | 135.6° | 126.9° |
| C4 | N3 | N4 | 108.0° | 109.6° |
| C14 | C7 | N1 | 125.0° | 126.4° |
| C14 | C7 | N4 | 124.3° | 126.4° |
| C7 | C14 | H1 | 109.5° | 109.5° |
| C7 | C14 | H2 | 109.4° | 109.5° |
| C7 | C14 | H3 | 109.4° | 109.5° |
| C2 | C5 | C1 | 112.1° | 108.9° |
| C5 | C2 | C8 | 111.2° | 107.8° |
| C5 | C2 | N2 | 111.8° | 107.2° |
| C2 | C5 | H4 | 108.8° | 109.6° |
| C2 | C5 | H5 | 108.8° | 109.6° |
| C5 | C2 | H35 | 110.6° | 112.1° |
| C5 | C1 | C6 | 113.5° | 109.7° |
| C5 | C1 | N1 | 109.5° | 109.4° |
| C1 | C5 | H4 | 108.8° | 109.5° |
| C1 | C5 | H5 | 108.8° | 109.5° |
| C5 | C1 | H36 | 106.4° | 109.4° |
| C3 | C6 | C1 | 108.6° | 108.9° |
| C6 | C3 | C9 | 113.1° | 107.8° |
| C6 | C3 | N2 | 112.5° | 107.2° |
| C3 | C6 | H6 | 109.7° | 109.6° |
| C3 | C6 | H7 | 109.7° | 109.5° |
| C6 | C3 | H19 | 109.4° | 112.1° |
| C6 | C1 | N1 | 114.5° | 109.5° |
| C1 | C6 | H6 | 109.7° | 109.6° |
| C1 | C6 | H7 | 109.7° | 109.6° |
| C6 | C1 | H36 | 106.1° | 109.4° |
| C20 | C11 | C19 | 111.2° | 109.5° |
| C20 | C11 | H8 | 108.5° | 109.5° |
| C11 | C20 | H37 | 109.5° | 109.5° |
| C11 | C20 | H38 | 109.5° | 109.5° |
| C11 | C20 | H39 | 109.5° | 109.4° |
| C19 | C11 | H8 | 108.7° | 109.5° |
| C11 | C19 | H40 | 109.5° | 109.4° |
| C11 | C19 | H41 | 109.5° | 109.5° |
| C11 | C19 | H42 | 109.5° | 109.5° |
| N1 | C7 | N4 | 110.7° | 107.3° |
| C7 | N1 | C1 | 124.6° | 127.0° |
| C7 | N4 | N3 | 109.6° | 109.7° |
| C9 | C8 | C2 | 109.1° | 104.9° |
| C8 | C9 | C3 | 101.6° | 104.8° |
| C9 | C8 | H9 | 109.5° | 110.4° |
| C9 | C8 | H10 | 109.6° | 110.3° |
| C8 | C9 | H11 | 111.4° | 110.4° |
| C8 | C9 | H12 | 111.4° | 110.4° |
| C8 | C2 | N2 | 100.6° | 104.2° |
| C2 | C8 | H9 | 109.6° | 110.4° |
| C2 | C8 | H10 | 109.6° | 110.4° |
| C8 | C2 | H35 | 111.2° | 112.2° |
| C9 | C3 | N2 | 101.8° | 104.3° |
| C3 | C9 | H11 | 111.4° | 110.4° |
| C3 | C9 | H12 | 111.4° | 110.4° |
| C9 | C3 | H19 | 109.7° | 112.2° |
| C12 | C10 | N2 | 113.2° | 109.5° |
| C10 | C12 | C13 | 105.0° | 109.5° |
| C12 | C10 | H13 | 108.5° | 109.5° |
| C12 | C10 | H14 | 108.5° | 109.5° |
| C10 | C12 | H15 | 110.6° | 109.5° |
| C10 | C12 | H16 | 110.6° | 109.5° |
| C10 | N2 | C3 | 113.5° | 111.0° |
| C10 | N2 | C2 | 119.1° | 111.0° |
| N2 | C10 | H13 | 108.5° | 109.5° |
| N2 | C10 | H14 | 108.5° | 109.5° |
| C12 | C13 | N5 | 107.6° | 109.4° |
| C12 | C13 | C15 | 111.8° | 109.5° |
| C13 | C12 | H15 | 110.6° | 109.5° |
| C13 | C12 | H16 | 110.6° | 109.5° |
| C12 | C13 | H17 | 109.2° | 109.5° |
| N5 | C13 | C15 | 109.7° | 109.5° |
| C13 | N5 | C16 | 122.4° | 120.0° |
| N5 | C13 | H17 | 109.8° | 109.5° |
| C13 | N5 | H29 | 118.8° | 120.1° |
| C13 | C15 | C25 | 119.8° | 122.5° |
| C13 | C15 | C26 | 122.6° | 122.5° |
| C15 | C13 | H17 | 108.8° | 109.5° |
| N1 | C1 | H36 | 106.3° | 109.4° |
| C3 | N2 | C2 | 101.2° | 103.4° |
| N2 | C3 | H19 | 110.0° | 112.7° |
| N2 | C2 | H35 | 111.0° | 112.8° |
| C23 | C21 | C17 | 111.5° | 109.5° |
| C21 | C23 | C18 | 110.5° | 109.5° |
| C23 | C21 | H20 | 109.0° | 109.4° |
| C23 | C21 | H21 | 108.9° | 109.5° |
| C21 | C23 | H22 | 109.2° | 109.4° |
| C21 | C23 | H23 | 109.2° | 109.4° |
| C21 | C17 | C22 | 112.0° | 109.5° |
| C21 | C17 | C16 | 106.4° | 109.5° |
| C17 | C21 | H20 | 109.0° | 109.5° |
| C17 | C21 | H21 | 109.0° | 109.5° |
| C21 | C17 | H28 | 109.2° | 109.5° |
| C23 | C18 | F1 | 103.6° | 109.5° |
| C23 | C18 | F2 | 112.2° | 109.5° |
| C23 | C18 | C24 | 110.2° | 109.5° |
| C18 | C23 | H22 | 109.2° | 109.5° |
| C18 | C23 | H23 | 109.2° | 109.5° |
| F1 | C18 | F2 | 109.5° | 109.4° |
| F1 | C18 | C24 | 114.4° | 109.5° |
| F2 | C18 | C24 | 107.0° | 109.5° |
| C18 | C24 | C22 | 110.5° | 109.5° |
| C18 | C24 | H24 | 109.2° | 109.5° |
| C18 | C24 | H25 | 109.2° | 109.5° |
| C24 | C22 | C17 | 105.3° | 109.5° |
| C22 | C24 | H24 | 109.2° | 109.5° |
| C22 | C24 | H25 | 109.2° | 109.5° |
| C24 | C22 | H26 | 110.5° | 109.4° |
| C24 | C22 | H27 | 110.5° | 109.5° |
| C22 | C17 | C16 | 111.1° | 109.5° |
| C17 | C22 | H26 | 110.5° | 109.5° |
| C17 | C22 | H27 | 110.5° | 109.5° |
| C22 | C17 | H28 | 108.9° | 109.5° |
| C17 | C16 | O1 | 121.5° | 120.0° |
| C17 | C16 | N5 | 114.6° | 120.0° |
| C16 | C17 | H28 | 109.1° | 109.5° |
| O1 | C16 | N5 | 123.9° | 120.0° |
| C16 | N5 | H29 | 118.8° | 120.0° |
| C25 | C15 | C26 | 117.6° | 114.9° |
| C15 | C25 | C27 | 114.0° | 114.9° |
| C15 | C25 | H30 | 123.0° | 122.5° |
| C15 | C26 | S1 | 104.8° | 109.6° |
| C15 | C26 | H33 | 127.6° | 125.2° |
| C25 | C27 | S1 | 104.2° | 109.6° |
| C27 | C25 | H30 | 123.0° | 122.6° |
| C25 | C27 | H31 | 127.9° | 125.2° |
| C27 | S1 | C26 | 99.4° | 91.0° |
| S1 | C27 | H31 | 127.9° | 125.2° |
| S1 | C26 | H33 | 127.6° | 125.2° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H1 | C14 | H3 | 109.5° | 109.4° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.7° |
| H6 | C6 | H7 | 109.5° | 109.7° |
| H9 | C8 | H10 | 109.5° | 110.4° |
| H11 | C9 | H12 | 109.5° | 110.4° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.4° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.4° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| H37 | C20 | H39 | 109.5° | 109.5° |
| H38 | C20 | H39 | 109.5° | 109.4° |
| H40 | C19 | H41 | 109.4° | 109.4° |
| H40 | C19 | H42 | 109.4° | 109.5° |
| H41 | C19 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C4 | N1 | N3 | 179.5° | 179.8° |
| C4 | C11 | C20 | C19 | 121.6° | 120.1° |
| C4 | C11 | C20 | H8 | 118.9° | 120.0° |
| C4 | C11 | C19 | H8 | 119.0° | 119.9° |
| C11 | C4 | N1 | C7 | 179.7° | 180.0° |
| C11 | C4 | N1 | C1 | 1.5° | 0.0° |
| C11 | C4 | N3 | N4 | 179.4° | 180.0° |
| C4 | C11 | C20 | H37 | 180.0° | 180.0° |
| C4 | C11 | C20 | H38 | 60.0° | 59.9° |
| C4 | C11 | C20 | H39 | 60.0° | 60.0° |
| C4 | C11 | C19 | H40 | 180.0° | 59.9° |
| C4 | C11 | C19 | H41 | 60.0° | 179.9° |
| C4 | C11 | C19 | H42 | 60.0° | 60.1° |
| C4 | N1 | C7 | C14 | 179.3° | 180.0° |
| C4 | N1 | C1 | C5 | 76.2° | 60.2° |
| C4 | N1 | C1 | C6 | 52.5° | 60.1° |
| N1 | C4 | C11 | C20 | 98.3° | 120.0° |
| N1 | C4 | C11 | C19 | 139.2° | 120.0° |
| C4 | N1 | C7 | C1 | 178.9° | 179.9° |
| C4 | N1 | C7 | N4 | 0.5° | 0.2° |
| N1 | C4 | N3 | N4 | 0.1° | 0.3° |
| N1 | C4 | C11 | H8 | 20.3° | 0.0° |
| C4 | N1 | C1 | H36 | 169.3° | 180.0° |
| N3 | C4 | C11 | C20 | 81.1° | 60.3° |
| N3 | C4 | C11 | C19 | 41.4° | 59.7° |
| N3 | C4 | N1 | C7 | 0.3° | 0.3° |
| C4 | N3 | N4 | C7 | 0.4° | 0.2° |
| N3 | C4 | N1 | C1 | 179.0° | 179.8° |
| N3 | C4 | C11 | H8 | 160.3° | 179.7° |
| C14 | C7 | N1 | N4 | 179.8° | 179.9° |
| C14 | C7 | N1 | C1 | 0.4° | 0.0° |
| C14 | C7 | N4 | N3 | 179.2° | 179.9° |
| C7 | C14 | H1 | H2 | 120.0° | 120.0° |
| C7 | C14 | H1 | H3 | 120.0° | 120.0° |
| C7 | C14 | H2 | H3 | 120.0° | 120.0° |
| C2 | C5 | C1 | H4 | 120.4° | 119.8° |
| C2 | C5 | C1 | H5 | 120.4° | 119.9° |
| C2 | C5 | C1 | C6 | 39.7° | 54.0° |
| C5 | C2 | C8 | C9 | 90.1° | 88.6° |
| C5 | C2 | C8 | N2 | 118.6° | 113.7° |
| C5 | C2 | C8 | H35 | 123.7° | 124.0° |
| C5 | C2 | N2 | C10 | 164.0° | 168.3° |
| C2 | C5 | C1 | N1 | 168.9° | 174.1° |
| C5 | C2 | N2 | C3 | 70.8° | 72.5° |
| C5 | C2 | N2 | H35 | 124.0° | 123.9° |
| C2 | C5 | H4 | H5 | 118.8° | 120.4° |
| C5 | C2 | C8 | H9 | 29.9° | 30.3° |
| C5 | C2 | C8 | H10 | 150.0° | 152.6° |
| C2 | C5 | C1 | H36 | 76.6° | 66.0° |
| C5 | C1 | C6 | C3 | 39.1° | 54.0° |
| C5 | C1 | C6 | N1 | 126.7° | 120.1° |
| C5 | C1 | C6 | H36 | 116.4° | 120.0° |
| C5 | C1 | N1 | C7 | 102.3° | 119.9° |
| C1 | C5 | C2 | C8 | 54.2° | 47.6° |
| C5 | C1 | N1 | H36 | 114.5° | 119.8° |
| C1 | C5 | C2 | N2 | 57.5° | 64.1° |
| C1 | C5 | H4 | H5 | 118.8° | 120.2° |
| C5 | C1 | C6 | H6 | 80.7° | 65.9° |
| C5 | C1 | C6 | H7 | 159.0° | 173.8° |
| C1 | C5 | C2 | H35 | 178.3° | 171.6° |
| C3 | C6 | C1 | H6 | 119.9° | 119.8° |
| C3 | C6 | C1 | H7 | 119.8° | 119.8° |
| C6 | C3 | C9 | C8 | 90.9° | 88.5° |
| C6 | C3 | C9 | N2 | 121.0° | 113.8° |
| C6 | C3 | C9 | H19 | 122.5° | 123.9° |
| C6 | C3 | N2 | C10 | 158.7° | 168.3° |
| C3 | C6 | C1 | N1 | 165.8° | 174.1° |
| C6 | C3 | N2 | H19 | 122.3° | 123.9° |
| C6 | C3 | N2 | C2 | 72.5° | 72.6° |
| C3 | C6 | H6 | H7 | 120.4° | 120.3° |
| C6 | C3 | C9 | H11 | 150.4° | 152.6° |
| C6 | C3 | C9 | H12 | 27.8° | 30.3° |
| C3 | C6 | C1 | H36 | 77.3° | 66.0° |
| C6 | C1 | N1 | C7 | 129.0° | 119.8° |
| C1 | C6 | C3 | C9 | 56.6° | 47.6° |
| C6 | C1 | N1 | H36 | 116.8° | 119.9° |
| C1 | C6 | C3 | N2 | 58.1° | 64.1° |
| C6 | C1 | C5 | H4 | 160.1° | 173.8° |
| C6 | C1 | C5 | H5 | 80.8° | 65.9° |
| C1 | C6 | H6 | H7 | 120.4° | 120.3° |
| C1 | C6 | C3 | H19 | 179.2° | 171.6° |
| C20 | C11 | C19 | H8 | 119.4° | 120.0° |
| C11 | C20 | H37 | H38 | 120.0° | 120.0° |
| C11 | C20 | H37 | H39 | 120.0° | 120.0° |
| C11 | C20 | H38 | H39 | 120.0° | 119.9° |
| C20 | C11 | C19 | H40 | 58.4° | 180.0° |
| C20 | C11 | C19 | H41 | 61.6° | 60.0° |
| C20 | C11 | C19 | H42 | 178.4° | 60.0° |
| C19 | C11 | C20 | H37 | 58.4° | 60.0° |
| C19 | C11 | C20 | H38 | 178.4° | 180.0° |
| C19 | C11 | C20 | H39 | 61.6° | 60.1° |
| C11 | C19 | H40 | H41 | 120.0° | 120.0° |
| C11 | C19 | H40 | H42 | 120.0° | 120.0° |
| C11 | C19 | H41 | H42 | 120.0° | 120.0° |
| N1 | C7 | N4 | N3 | 0.6° | 0.0° |
| N1 | C7 | C14 | H1 | 179.8° | 84.8° |
| N1 | C7 | C14 | H2 | 60.2° | 155.3° |
| N1 | C7 | C14 | H3 | 59.8° | 35.2° |
| C7 | N1 | C1 | H36 | 12.2° | 0.1° |
| N4 | C7 | N1 | C1 | 179.4° | 179.9° |
| N4 | C7 | C14 | H1 | 0.0° | 95.1° |
| N4 | C7 | C14 | H2 | 120.0° | 24.9° |
| N4 | C7 | C14 | H3 | 120.0° | 145.0° |
| C9 | C8 | C2 | H9 | 119.9° | 118.9° |
| C9 | C8 | C2 | H10 | 120.0° | 118.8° |
| C8 | C9 | C3 | H11 | 118.7° | 118.9° |
| C8 | C9 | C3 | H12 | 118.7° | 118.8° |
| C8 | C9 | C3 | N2 | 30.1° | 25.2° |
| C9 | C8 | C2 | N2 | 28.5° | 25.1° |
| C9 | C8 | H9 | H10 | 120.1° | 122.2° |
| C8 | C9 | H11 | H12 | 123.7° | 122.3° |
| C8 | C9 | C3 | H19 | 146.6° | 147.5° |
| C9 | C8 | C2 | H35 | 146.2° | 147.5° |
| C2 | C8 | C9 | C3 | 1.1° | 0.0° |
| C8 | C2 | N2 | C10 | 77.8° | 77.5° |
| C8 | C2 | N2 | C3 | 47.3° | 41.6° |
| C8 | C2 | N2 | H35 | 117.8° | 122.0° |
| C8 | C2 | C5 | H4 | 66.2° | 72.2° |
| C8 | C2 | C5 | H5 | 174.6° | 167.4° |
| C2 | C8 | H9 | H10 | 120.2° | 122.3° |
| C2 | C8 | C9 | H11 | 117.6° | 118.8° |
| C2 | C8 | C9 | H12 | 119.8° | 118.9° |
| C9 | C3 | N2 | C10 | 79.9° | 77.5° |
| C9 | C3 | N2 | H19 | 116.3° | 121.9° |
| C9 | C3 | N2 | C2 | 48.9° | 41.6° |
| C9 | C3 | C6 | H6 | 176.5° | 167.5° |
| C9 | C3 | C6 | H7 | 63.2° | 72.2° |
| C3 | C9 | C8 | H9 | 118.8° | 118.9° |
| C3 | C9 | C8 | H10 | 121.1° | 118.9° |
| C3 | C9 | H11 | H12 | 123.6° | 122.3° |
| C12 | C10 | N2 | H13 | 120.5° | 120.0° |
| C12 | C10 | N2 | H14 | 120.5° | 120.0° |
| C10 | C12 | C13 | H15 | 119.3° | 120.0° |
| C10 | C12 | C13 | H16 | 119.3° | 120.0° |
| C10 | C12 | C13 | N5 | 159.6° | 65.1° |
| C10 | C12 | C13 | C15 | 79.8° | 175.0° |
| C12 | C10 | N2 | C3 | 178.1° | 170.0° |
| C12 | C10 | N2 | C2 | 59.1° | 75.5° |
| C12 | C10 | H13 | H14 | 118.3° | 120.0° |
| C10 | C12 | H15 | H16 | 122.1° | 120.0° |
| C10 | C12 | C13 | H17 | 40.5° | 55.0° |
| N2 | C10 | C12 | C13 | 167.9° | 180.0° |
| C10 | N2 | C3 | C2 | 128.8° | 119.1° |
| N2 | C10 | H13 | H14 | 118.3° | 120.0° |
| N2 | C10 | C12 | H15 | 48.7° | 60.0° |
| N2 | C10 | C12 | H16 | 72.8° | 60.0° |
| C10 | N2 | C3 | H19 | 36.4° | 44.5° |
| C10 | N2 | C2 | H35 | 40.0° | 44.5° |
| C12 | C13 | N5 | C15 | 121.8° | 120.0° |
| C12 | C13 | N5 | H17 | 118.7° | 120.0° |
| C12 | C13 | C15 | H17 | 120.6° | 120.0° |
| C12 | C13 | N5 | C16 | 97.5° | 155.0° |
| C12 | C13 | C15 | C25 | 138.8° | 100.1° |
| C12 | C13 | C15 | C26 | 41.3° | 79.7° |
| C13 | C12 | C10 | H13 | 47.4° | 59.9° |
| C13 | C12 | C10 | H14 | 71.5° | 60.0° |
| C13 | C12 | H15 | H16 | 122.1° | 120.0° |
| C12 | C13 | N5 | H29 | 82.5° | 24.9° |
| N5 | C13 | C15 | H17 | 120.1° | 120.0° |
| C13 | N5 | C16 | C17 | 176.8° | 179.9° |
| C13 | N5 | C16 | O1 | 0.6° | 0.0° |
| C13 | N5 | C16 | H29 | 180.0° | 179.9° |
| N5 | C13 | C15 | C25 | 101.9° | 140.0° |
| N5 | C13 | C15 | C26 | 78.0° | 40.3° |
| N5 | C13 | C12 | H15 | 81.1° | 175.0° |
| N5 | C13 | C12 | H16 | 40.3° | 55.0° |
| C15 | C13 | N5 | C16 | 140.6° | 85.0° |
| C13 | C15 | C25 | C26 | 179.9° | 179.8° |
| C13 | C15 | C25 | C27 | 179.4° | 180.0° |
| C13 | C15 | C26 | S1 | 179.2° | 179.9° |
| C15 | C13 | C12 | H15 | 39.4° | 55.0° |
| C15 | C13 | C12 | H16 | 160.9° | 65.0° |
| C15 | C13 | N5 | H29 | 39.3° | 95.0° |
| C13 | C15 | C25 | H30 | 0.7° | 0.1° |
| C13 | C15 | C26 | H33 | 0.8° | 0.1° |
| N1 | C1 | C5 | H4 | 70.7° | 66.0° |
| N1 | C1 | C5 | H5 | 48.5° | 54.3° |
| N1 | C1 | C6 | H6 | 46.0° | 54.3° |
| N1 | C1 | C6 | H7 | 74.3° | 66.1° |
| N2 | C3 | C6 | H6 | 61.7° | 55.7° |
| N2 | C3 | C6 | H7 | 178.0° | 176.1° |
| N2 | C3 | C9 | H11 | 88.6° | 93.6° |
| N2 | C3 | C9 | H12 | 148.9° | 144.0° |
| C3 | N2 | C10 | H13 | 61.4° | 50.0° |
| C3 | N2 | C10 | H14 | 57.5° | 70.0° |
| C3 | N2 | C2 | H35 | 165.1° | 163.6° |
| N2 | C2 | C5 | H4 | 177.9° | 176.1° |
| N2 | C2 | C5 | H5 | 62.9° | 55.7° |
| N2 | C2 | C8 | H9 | 148.5° | 144.0° |
| N2 | C2 | C8 | H10 | 91.4° | 93.7° |
| C2 | N2 | C10 | H13 | 179.7° | 164.5° |
| C2 | N2 | C10 | H14 | 61.4° | 44.5° |
| C2 | N2 | C3 | H19 | 165.2° | 163.6° |
| C23 | C21 | C17 | H20 | 120.3° | 119.9° |
| C23 | C21 | C17 | H21 | 120.3° | 120.0° |
| C21 | C23 | C18 | H22 | 120.1° | 120.0° |
| C21 | C23 | C18 | H23 | 120.1° | 120.0° |
| C21 | C23 | C18 | F1 | 67.8° | 60.0° |
| C21 | C23 | C18 | F2 | 174.2° | 180.0° |
| C21 | C23 | C18 | C24 | 55.0° | 60.0° |
| C23 | C21 | C17 | C22 | 54.2° | 59.9° |
| C23 | C21 | C17 | C16 | 175.8° | 179.9° |
| C23 | C21 | H20 | H21 | 119.0° | 120.0° |
| C21 | C23 | H22 | H23 | 119.5° | 119.9° |
| C23 | C21 | C17 | H28 | 66.5° | 60.0° |
| C17 | C21 | C23 | C18 | 50.6° | 60.0° |
| C21 | C17 | C22 | C24 | 60.1° | 60.0° |
| C21 | C17 | C22 | C16 | 118.9° | 120.0° |
| C21 | C17 | C22 | H28 | 120.9° | 120.0° |
| C21 | C17 | C16 | H28 | 117.7° | 120.0° |
| C21 | C17 | C16 | O1 | 82.7° | 0.0° |
| C21 | C17 | C16 | N5 | 93.6° | 180.0° |
| C17 | C21 | H20 | H21 | 119.1° | 120.0° |
| C17 | C21 | C23 | H22 | 69.6° | 60.1° |
| C17 | C21 | C23 | H23 | 170.7° | 180.0° |
| C21 | C17 | C22 | H26 | 179.5° | 180.0° |
| C21 | C17 | C22 | H27 | 59.2° | 60.1° |
| C23 | C18 | F1 | F2 | 119.9° | 120.0° |
| C23 | C18 | F1 | C24 | 120.0° | 120.0° |
| C23 | C18 | F2 | C24 | 121.0° | 120.0° |
| C23 | C18 | C24 | C22 | 65.0° | 60.0° |
| C18 | C23 | C21 | H20 | 69.8° | 60.0° |
| C18 | C23 | C21 | H21 | 170.9° | 180.0° |
| C18 | C23 | H22 | H23 | 119.6° | 120.0° |
| C23 | C18 | C24 | H24 | 55.1° | 60.0° |
| C23 | C18 | C24 | H25 | 174.8° | 180.0° |
| F1 | C18 | F2 | C24 | 124.5° | 120.0° |
| F1 | C18 | C24 | C22 | 51.2° | 60.0° |
| F1 | C18 | C23 | H22 | 172.1° | 180.0° |
| F1 | C18 | C23 | H23 | 52.4° | 60.0° |
| F1 | C18 | C24 | H24 | 171.4° | 179.9° |
| F1 | C18 | C24 | H25 | 69.0° | 60.0° |
| F2 | C18 | C24 | C22 | 172.7° | 179.9° |
| F2 | C18 | C23 | H22 | 54.0° | 60.0° |
| F2 | C18 | C23 | H23 | 65.7° | 60.0° |
| F2 | C18 | C24 | H24 | 67.1° | 60.0° |
| F2 | C18 | C24 | H25 | 52.6° | 59.9° |
| C18 | C24 | C22 | H24 | 120.2° | 120.0° |
| C18 | C24 | C22 | H25 | 120.2° | 120.0° |
| C18 | C24 | C22 | C17 | 64.9° | 60.0° |
| C24 | C18 | C23 | H22 | 65.1° | 60.0° |
| C24 | C18 | C23 | H23 | 175.2° | 180.0° |
| C18 | C24 | H24 | H25 | 119.5° | 120.0° |
| C18 | C24 | C22 | H26 | 175.8° | 180.0° |
| C18 | C24 | C22 | H27 | 54.4° | 60.1° |
| C24 | C22 | C17 | H26 | 119.3° | 120.0° |
| C24 | C22 | C17 | H27 | 119.3° | 120.1° |
| C24 | C22 | C17 | C16 | 179.0° | 180.0° |
| C22 | C24 | H24 | H25 | 119.5° | 120.0° |
| C24 | C22 | H26 | H27 | 122.0° | 120.0° |
| C24 | C22 | C17 | H28 | 60.7° | 59.9° |
| C22 | C17 | C16 | H28 | 120.1° | 120.0° |
| C22 | C17 | C16 | O1 | 39.4° | 120.0° |
| C22 | C17 | C16 | N5 | 144.2° | 60.0° |
| C22 | C17 | C21 | H20 | 66.1° | 60.0° |
| C22 | C17 | C21 | H21 | 174.5° | 180.0° |
| C17 | C22 | C24 | H24 | 55.3° | 60.0° |
| C17 | C22 | C24 | H25 | 174.9° | 180.0° |
| C17 | C22 | H26 | H27 | 121.9° | 120.0° |
| C17 | C16 | O1 | N5 | 176.0° | 180.0° |
| C16 | C17 | C21 | H20 | 55.5° | 60.0° |
| C16 | C17 | C21 | H21 | 63.9° | 60.0° |
| C16 | C17 | C22 | H26 | 61.7° | 60.0° |
| C16 | C17 | C22 | H27 | 59.7° | 59.9° |
| C17 | C16 | N5 | H29 | 3.2° | 0.0° |
| O1 | C16 | C17 | H28 | 159.5° | 120.0° |
| O1 | C16 | N5 | H29 | 179.4° | 179.9° |
| C16 | N5 | C13 | H17 | 21.2° | 35.0° |
| N5 | C16 | C17 | H28 | 24.1° | 60.0° |
| C15 | C25 | C27 | H30 | 180.0° | 179.9° |
| C15 | C25 | C27 | S1 | 0.1° | 0.0° |
| C25 | C15 | C26 | S1 | 1.0° | 0.4° |
| C25 | C15 | C13 | H17 | 18.2° | 20.0° |
| C15 | C25 | C27 | H31 | 179.9° | 180.0° |
| C25 | C15 | C26 | H33 | 179.1° | 179.8° |
| C26 | C15 | C25 | C27 | 0.7° | 0.2° |
| C15 | C26 | S1 | C27 | 0.8° | 0.3° |
| C15 | C26 | S1 | H33 | 180.0° | 179.8° |
| C26 | C15 | C13 | H17 | 161.9° | 160.3° |
| C26 | C15 | C25 | H30 | 179.2° | 179.7° |
| C25 | C27 | S1 | H31 | 180.0° | 179.9° |
| C25 | C27 | S1 | C26 | 0.4° | 0.2° |
| S1 | C27 | C25 | H30 | 179.9° | 180.0° |
| C27 | S1 | C26 | H33 | 179.3° | 179.9° |
| C26 | S1 | C27 | H31 | 179.6° | 179.9° |
| H1 | C14 | H2 | H3 | 120.0° | 119.9° |
| H4 | C5 | C2 | H35 | 57.9° | 51.8° |
| H4 | C5 | C1 | H36 | 43.8° | 53.8° |
| H5 | C5 | C2 | H35 | 61.3° | 68.6° |
| H5 | C5 | C1 | H36 | 163.0° | 174.1° |
| H6 | C6 | C3 | H19 | 60.9° | 68.5° |
| H6 | C6 | C1 | H36 | 162.8° | 174.1° |
| H7 | C6 | C3 | H19 | 59.4° | 51.8° |
| H7 | C6 | C1 | H36 | 42.5° | 53.8° |
| H8 | C11 | C20 | H37 | 61.1° | 60.0° |
| H8 | C11 | C20 | H38 | 58.9° | 60.1° |
| H8 | C11 | C20 | H39 | 178.9° | 179.9° |
| H8 | C11 | C19 | H40 | 61.0° | 60.0° |
| H8 | C11 | C19 | H41 | 179.0° | 60.0° |
| H8 | C11 | C19 | H42 | 59.0° | 180.0° |
| H9 | C8 | C9 | H11 | 122.4° | 122.3° |
| H9 | C8 | C9 | H12 | 0.1° | 0.0° |
| H9 | C8 | C2 | H35 | 93.9° | 93.6° |
| H10 | C8 | C9 | H11 | 2.3° | 0.0° |
| H10 | C8 | C9 | H12 | 120.2° | 122.3° |
| H10 | C8 | C2 | H35 | 26.2° | 28.7° |
| H11 | C9 | C3 | H19 | 27.9° | 28.7° |
| H12 | C9 | C3 | H19 | 94.6° | 93.7° |
| H13 | C10 | C12 | H15 | 71.9° | 60.0° |
| H13 | C10 | C12 | H16 | 166.7° | 179.9° |
| H14 | C10 | C12 | H15 | 169.2° | 180.0° |
| H14 | C10 | C12 | H16 | 47.8° | 60.0° |
| H15 | C12 | C13 | H17 | 159.8° | 65.0° |
| H16 | C12 | C13 | H17 | 78.7° | 175.0° |
| H17 | C13 | N5 | H29 | 158.8° | 144.9° |
| H20 | C21 | C23 | H22 | 170.1° | 180.0° |
| H20 | C21 | C23 | H23 | 50.4° | 60.1° |
| H20 | C21 | C17 | H28 | 173.1° | 179.9° |
| H21 | C21 | C23 | H22 | 50.7° | 60.0° |
| H21 | C21 | C23 | H23 | 69.0° | 59.9° |
| H21 | C21 | C17 | H28 | 53.8° | 60.0° |
| H24 | C24 | C22 | H26 | 64.1° | 60.0° |
| H24 | C24 | C22 | H27 | 174.6° | 179.9° |
| H25 | C24 | C22 | H26 | 55.6° | 60.0° |
| H25 | C24 | C22 | H27 | 65.7° | 59.9° |
| H26 | C22 | C17 | H28 | 58.6° | 60.0° |
| H27 | C22 | C17 | H28 | 179.9° | 180.0° |
| H30 | C25 | C27 | H31 | 0.1° | 0.1° |
| H37 | C20 | H38 | H39 | 120.0° | 120.0° |
| H40 | C19 | H41 | H42 | 119.9° | 120.0° |
