A1CZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C15 | C11 | sing | 1.54Å | 1.53Å | |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| C23 | C18 | sing | 1.55Å | 1.53Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | F2 | sing | 1.40Å | 1.39Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C28 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.55Å | 1.53Å | |
| C14 | C11 | sing | 1.54Å | 1.53Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | N4 | sing | 1.48Å | 1.49Å | |
| C10 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C18 | N3 | sing | 1.49Å | 1.47Å | |
| F1 | C5 | sing | 1.35Å | 1.35Å | |
| N2 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C2 | sing | 1.34Å | 1.34Å | Aromatic |
| C1 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| F3 | C26 | sing | 1.35Å | 1.34Å | |
| C5 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
| N1 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | C6 | sing | 1.48Å | 1.42Å | |
| C9 | C24 | doub | 1.42Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.39Å | Aromatic |
| C3 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.38Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| C17 | N4 | sing | 1.48Å | 1.49Å | |
| N3 | C21 | sing | 1.49Å | 1.47Å | |
| C21 | C20 | sing | 1.54Å | 1.53Å | |
| C8 | C7 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | CL1 | sing | 1.74Å | 1.73Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| N4 | C12 | sing | 1.48Å | 1.49Å | |
| C13 | C12 | sing | 1.55Å | 1.53Å | |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C24 | C29 | sing | 1.46Å | 1.40Å | Aromatic |
| C29 | C31 | sing | 1.43Å | 1.46Å | |
| C29 | C30 | doub | 1.36Å | 1.40Å | Aromatic |
| S1 | C30 | sing | 1.75Å | 1.72Å | Aromatic |
| C31 | N6 | trip | 1.14Å | 1.14Å | |
| C30 | N7 | sing | 1.38Å | 1.33Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | H23 | sing | 1.01Å | 1.00Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C11 | 104.0° | 102.9° |
| C15 | C16 | F2 | 110.7° | 111.0° |
| C15 | C16 | C17 | 104.0° | 101.7° |
| C16 | C15 | H1 | 110.8° | 110.7° |
| C16 | C15 | H2 | 110.8° | 110.7° |
| C15 | C16 | H3 | 110.2° | 111.0° |
| C15 | C11 | C14 | 110.6° | 109.3° |
| C15 | C11 | C10 | 112.5° | 110.7° |
| C15 | C11 | N4 | 107.1° | 107.3° |
| C11 | C15 | H1 | 110.8° | 110.8° |
| C11 | C15 | H2 | 110.8° | 110.8° |
| C22 | C23 | C18 | 104.5° | 104.8° |
| C23 | C22 | C21 | 104.9° | 104.7° |
| C22 | C23 | H16 | 110.7° | 110.4° |
| C22 | C23 | H17 | 110.7° | 110.4° |
| C23 | C22 | H18 | 110.6° | 110.4° |
| C23 | C22 | H19 | 110.6° | 110.4° |
| C23 | C18 | C19 | 110.3° | 107.6° |
| C23 | C18 | N3 | 100.3° | 104.0° |
| C23 | C18 | H15 | 111.2° | 113.0° |
| C18 | C23 | H16 | 110.7° | 110.4° |
| C18 | C23 | H17 | 110.7° | 110.4° |
| C28 | C27 | C26 | 119.1° | 120.3° |
| C27 | C28 | C9 | 122.2° | 120.1° |
| C27 | C28 | H28 | 118.9° | 120.0° |
| C28 | C27 | H29 | 120.5° | 119.8° |
| C27 | C26 | F3 | 122.1° | 119.7° |
| C27 | C26 | C25 | 120.0° | 120.7° |
| C26 | C27 | H29 | 120.5° | 119.9° |
| F2 | C16 | C17 | 109.0° | 111.0° |
| F2 | C16 | H3 | 112.3° | 110.8° |
| C16 | C17 | N4 | 104.4° | 105.0° |
| C17 | C16 | H3 | 110.2° | 111.0° |
| C16 | C17 | H4 | 110.7° | 110.3° |
| C16 | C17 | H5 | 110.7° | 110.3° |
| C28 | C9 | C6 | 118.3° | 119.9° |
| C28 | C9 | C24 | 117.5° | 120.2° |
| C9 | C28 | H28 | 118.9° | 119.9° |
| C22 | C21 | N3 | 100.8° | 104.0° |
| C22 | C21 | C20 | 109.4° | 107.6° |
| C21 | C22 | H18 | 110.6° | 110.4° |
| C21 | C22 | H19 | 110.6° | 110.4° |
| C22 | C21 | H20 | 111.9° | 112.4° |
| C11 | C14 | C13 | 103.6° | 102.9° |
| C14 | C11 | C10 | 109.6° | 110.7° |
| C14 | C11 | N4 | 107.3° | 107.3° |
| C11 | C14 | H11 | 110.9° | 110.7° |
| C11 | C14 | H12 | 110.9° | 110.7° |
| C14 | C13 | C12 | 102.6° | 101.7° |
| C14 | C13 | H9 | 111.2° | 111.0° |
| C14 | C13 | H10 | 111.2° | 111.0° |
| C13 | C14 | H11 | 110.9° | 110.7° |
| C13 | C14 | H12 | 110.9° | 110.7° |
| C10 | C11 | N4 | 109.5° | 111.4° |
| C11 | C10 | O1 | 104.2° | 109.5° |
| C11 | C10 | H13 | 110.8° | 109.5° |
| C11 | C10 | H14 | 110.8° | 109.4° |
| C11 | N4 | C17 | 108.4° | 108.4° |
| C11 | N4 | C12 | 107.1° | 108.4° |
| C10 | O1 | C1 | 117.4° | 117.0° |
| O1 | C10 | H13 | 110.8° | 109.5° |
| O1 | C10 | H14 | 110.7° | 109.5° |
| O1 | C1 | N2 | 116.6° | 118.6° |
| O1 | C1 | N1 | 120.3° | 118.6° |
| C19 | C18 | N3 | 111.3° | 107.0° |
| C18 | C19 | N5 | 110.7° | 109.0° |
| C19 | C18 | H15 | 111.2° | 112.3° |
| C18 | C19 | H25 | 109.2° | 109.6° |
| C18 | C19 | H26 | 109.2° | 109.5° |
| C18 | N3 | C4 | 120.0° | 111.0° |
| C18 | N3 | C21 | 103.9° | 103.0° |
| N3 | C18 | H15 | 112.2° | 112.4° |
| F1 | C5 | C2 | 118.3° | 120.3° |
| F1 | C5 | C6 | 117.5° | 120.3° |
| C1 | N2 | C2 | 119.1° | 120.4° |
| N2 | C1 | N1 | 123.1° | 122.8° |
| N2 | C2 | C5 | 120.4° | 121.7° |
| N2 | C2 | C3 | 119.0° | 118.8° |
| C1 | N1 | C4 | 120.3° | 121.5° |
| F3 | C26 | C25 | 117.9° | 119.6° |
| C2 | C5 | C6 | 124.2° | 119.4° |
| C5 | C2 | C3 | 120.6° | 119.4° |
| C5 | C6 | C9 | 117.3° | 119.8° |
| C5 | C6 | C7 | 116.1° | 120.5° |
| C26 | C25 | C24 | 119.7° | 119.8° |
| C26 | C25 | S1 | 125.5° | 129.8° |
| C2 | C3 | C4 | 120.4° | 118.2° |
| C2 | C3 | C8 | 114.1° | 120.0° |
| N1 | C4 | C3 | 118.0° | 118.4° |
| N1 | C4 | N3 | 113.8° | 120.8° |
| C6 | C9 | C24 | 124.2° | 119.9° |
| C9 | C6 | C7 | 126.5° | 119.7° |
| C9 | C24 | C25 | 121.6° | 118.9° |
| C9 | C24 | C29 | 130.6° | 128.8° |
| C6 | C7 | C8 | 118.6° | 120.8° |
| C6 | C7 | CL1 | 118.3° | 119.6° |
| C4 | C3 | C8 | 125.5° | 121.8° |
| C3 | C4 | N3 | 128.0° | 120.9° |
| C3 | C8 | C7 | 126.4° | 119.8° |
| C3 | C8 | H27 | 116.8° | 120.1° |
| C4 | N3 | C21 | 121.8° | 111.0° |
| C19 | N5 | C20 | 113.3° | 111.7° |
| C19 | N5 | H23 | 108.5° | 111.0° |
| N5 | C19 | H25 | 109.2° | 109.5° |
| N5 | C19 | H26 | 109.2° | 109.5° |
| C17 | N4 | C12 | 115.0° | 109.4° |
| N4 | C17 | H4 | 110.7° | 110.4° |
| N4 | C17 | H5 | 110.7° | 110.3° |
| N3 | C21 | C20 | 109.4° | 106.9° |
| N3 | C21 | H20 | 112.9° | 112.5° |
| C21 | C20 | N5 | 111.9° | 109.0° |
| C20 | C21 | H20 | 111.9° | 112.9° |
| C21 | C20 | H21 | 108.9° | 109.6° |
| C21 | C20 | H22 | 108.9° | 109.5° |
| C8 | C7 | CL1 | 123.1° | 119.6° |
| C7 | C8 | H27 | 116.8° | 120.0° |
| N5 | C20 | H21 | 108.9° | 109.5° |
| N5 | C20 | H22 | 108.9° | 109.6° |
| C20 | N5 | H23 | 108.5° | 110.9° |
| N4 | C12 | C13 | 105.8° | 105.1° |
| N4 | C12 | H7 | 110.4° | 110.3° |
| N4 | C12 | H8 | 110.4° | 110.3° |
| C13 | C12 | H7 | 110.4° | 110.3° |
| C13 | C12 | H8 | 110.4° | 110.4° |
| C12 | C13 | H9 | 111.2° | 111.0° |
| C12 | C13 | H10 | 111.2° | 111.0° |
| C24 | C25 | S1 | 114.8° | 110.4° |
| C25 | C24 | C29 | 107.7° | 112.3° |
| C25 | S1 | C30 | 91.4° | 92.6° |
| C24 | C29 | C31 | 123.5° | 123.1° |
| C24 | C29 | C30 | 117.2° | 113.7° |
| C31 | C29 | C30 | 119.3° | 123.2° |
| C29 | C31 | N6 | 179.6° | 180.0° |
| C29 | C30 | S1 | 108.8° | 110.9° |
| C29 | C30 | N7 | 126.5° | 124.5° |
| S1 | C30 | N7 | 124.7° | 124.6° |
| C30 | N7 | H30 | 109.5° | 119.9° |
| C30 | N7 | H31 | 109.5° | 120.0° |
| H1 | C15 | H2 | 109.5° | 110.8° |
| H4 | C17 | H5 | 109.5° | 110.4° |
| H7 | C12 | H8 | 109.5° | 110.3° |
| H9 | C13 | H10 | 109.5° | 110.9° |
| H11 | C14 | H12 | 109.4° | 110.9° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 110.4° |
| H18 | C22 | H19 | 109.5° | 110.5° |
| H21 | C20 | H22 | 109.5° | 109.6° |
| H25 | C19 | H26 | 109.5° | 109.7° |
| H30 | N7 | H31 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C11 | H1 | 119.1° | 118.3° |
| C16 | C15 | C11 | H2 | 119.1° | 118.3° |
| C15 | C16 | F2 | C17 | 113.8° | 112.3° |
| C15 | C16 | F2 | H3 | 123.7° | 123.8° |
| C15 | C16 | C17 | H3 | 118.1° | 118.1° |
| C16 | C15 | C11 | C14 | 98.5° | 139.6° |
| C16 | C15 | C11 | C10 | 138.5° | 98.2° |
| C16 | C15 | C11 | N4 | 18.1° | 23.6° |
| C15 | C16 | C17 | N4 | 34.6° | 36.7° |
| C16 | C15 | H1 | H2 | 122.6° | 123.2° |
| C15 | C16 | C17 | H4 | 84.6° | 155.6° |
| C15 | C16 | C17 | H5 | 153.7° | 82.2° |
| C11 | C15 | C16 | F2 | 84.8° | 154.3° |
| C11 | C15 | C16 | C17 | 32.1° | 36.2° |
| C15 | C11 | C14 | C10 | 124.7° | 122.3° |
| C15 | C11 | C14 | N4 | 116.5° | 116.0° |
| C15 | C11 | C14 | C13 | 140.6° | 139.6° |
| C15 | C11 | C10 | N4 | 119.0° | 119.3° |
| C15 | C11 | C10 | O1 | 58.6° | 61.0° |
| C15 | C11 | N4 | C17 | 3.5° | 0.7° |
| C15 | C11 | N4 | C12 | 121.1° | 118.0° |
| C11 | C15 | H1 | H2 | 122.6° | 123.3° |
| C11 | C15 | C16 | H3 | 150.2° | 82.0° |
| C15 | C11 | C14 | H11 | 21.5° | 102.1° |
| C15 | C11 | C14 | H12 | 100.4° | 21.2° |
| C15 | C11 | C10 | H13 | 177.8° | 59.0° |
| C15 | C11 | C10 | H14 | 60.6° | 179.0° |
| C22 | C23 | C18 | H16 | 119.2° | 118.8° |
| C22 | C23 | C18 | H17 | 119.2° | 118.8° |
| C23 | C22 | C21 | H18 | 119.3° | 118.8° |
| C23 | C22 | C21 | H19 | 119.3° | 118.8° |
| C22 | C23 | C18 | C19 | 86.9° | 87.3° |
| C22 | C23 | C18 | N3 | 30.5° | 26.0° |
| C23 | C22 | C21 | N3 | 27.0° | 25.9° |
| C23 | C22 | C21 | C20 | 88.3° | 87.3° |
| C22 | C23 | C18 | H15 | 149.2° | 148.1° |
| C22 | C23 | H16 | H17 | 122.3° | 122.3° |
| C23 | C22 | H18 | H19 | 122.1° | 122.3° |
| C23 | C22 | C21 | H20 | 147.2° | 147.8° |
| C18 | C23 | C22 | C21 | 2.2° | 0.0° |
| C23 | C18 | C19 | N3 | 110.4° | 111.2° |
| C23 | C18 | C19 | H15 | 123.8° | 125.0° |
| C23 | C18 | N3 | H15 | 118.1° | 122.5° |
| C23 | C18 | N3 | C4 | 90.8° | 76.1° |
| C23 | C18 | C19 | N5 | 53.1° | 47.6° |
| C23 | C18 | N3 | C21 | 49.6° | 42.8° |
| C18 | C23 | H16 | H17 | 122.3° | 122.3° |
| C18 | C23 | C22 | H18 | 121.5° | 118.8° |
| C18 | C23 | C22 | H19 | 117.1° | 118.8° |
| C23 | C18 | C19 | H25 | 67.1° | 72.2° |
| C23 | C18 | C19 | H26 | 173.3° | 167.4° |
| C28 | C27 | C26 | H29 | 180.0° | 180.0° |
| C27 | C28 | C9 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | F3 | 179.6° | 180.0° |
| C28 | C27 | C26 | C25 | 1.0° | 0.2° |
| C27 | C28 | C9 | C6 | 177.3° | 180.0° |
| C27 | C28 | C9 | C24 | 0.8° | 0.2° |
| C26 | C27 | C28 | C9 | 1.1° | 0.0° |
| C27 | C26 | F3 | C25 | 178.6° | 179.8° |
| C27 | C26 | C25 | C24 | 0.7° | 0.1° |
| C27 | C26 | C25 | S1 | 178.3° | 180.0° |
| C26 | C27 | C28 | H28 | 178.9° | 180.0° |
| F2 | C16 | C17 | H3 | 123.7° | 123.8° |
| F2 | C16 | C17 | N4 | 83.6° | 154.8° |
| F2 | C16 | C15 | H1 | 34.3° | 35.9° |
| F2 | C16 | C15 | H2 | 156.1° | 87.4° |
| F2 | C16 | C17 | H4 | 157.2° | 86.3° |
| F2 | C16 | C17 | H5 | 35.6° | 35.9° |
| C16 | C17 | N4 | C11 | 23.6° | 22.8° |
| C16 | C17 | N4 | H4 | 119.2° | 118.9° |
| C16 | C17 | N4 | H5 | 119.2° | 118.9° |
| C16 | C17 | N4 | C12 | 96.2° | 140.8° |
| C17 | C16 | C15 | H1 | 151.2° | 82.2° |
| C17 | C16 | C15 | H2 | 87.0° | 154.5° |
| C16 | C17 | H4 | H5 | 122.4° | 122.2° |
| C28 | C9 | C6 | C5 | 83.6° | 89.8° |
| C28 | C9 | C6 | C24 | 176.1° | 179.7° |
| C28 | C9 | C6 | C7 | 98.4° | 90.2° |
| C28 | C9 | C24 | C25 | 0.5° | 0.3° |
| C28 | C9 | C24 | C29 | 179.7° | 179.8° |
| C9 | C28 | C27 | H29 | 178.9° | 179.9° |
| C22 | C21 | N3 | C18 | 48.2° | 42.8° |
| C22 | C21 | N3 | C4 | 91.2° | 76.1° |
| C22 | C21 | N3 | C20 | 115.2° | 113.7° |
| C22 | C21 | N3 | H20 | 119.5° | 121.9° |
| C22 | C21 | C20 | H20 | 124.6° | 124.6° |
| C22 | C21 | C20 | N5 | 50.4° | 47.6° |
| C21 | C22 | C23 | H16 | 121.4° | 118.8° |
| C21 | C22 | C23 | H17 | 117.0° | 118.8° |
| C21 | C22 | H18 | H19 | 122.1° | 122.4° |
| C22 | C21 | C20 | H21 | 170.8° | 167.5° |
| C22 | C21 | C20 | H22 | 70.0° | 72.3° |
| C11 | C14 | C13 | H11 | 119.1° | 118.3° |
| C11 | C14 | C13 | H12 | 119.1° | 118.3° |
| C14 | C11 | C10 | N4 | 117.4° | 119.3° |
| C14 | C11 | C10 | O1 | 177.8° | 60.4° |
| C14 | C11 | N4 | C17 | 122.3° | 118.0° |
| C14 | C11 | N4 | C12 | 2.3° | 0.7° |
| C11 | C14 | C13 | C12 | 35.6° | 36.1° |
| C14 | C11 | C15 | H1 | 20.6° | 21.3° |
| C14 | C11 | C15 | H2 | 142.3° | 102.1° |
| C11 | C14 | C13 | H9 | 154.5° | 82.0° |
| C11 | C14 | C13 | H10 | 83.3° | 154.3° |
| C11 | C14 | H11 | H12 | 122.7° | 123.2° |
| C14 | C11 | C10 | H13 | 58.7° | 179.6° |
| C14 | C11 | C10 | H14 | 63.0° | 59.6° |
| C13 | C14 | C11 | C10 | 94.8° | 98.2° |
| C13 | C14 | C11 | N4 | 24.1° | 23.6° |
| C14 | C13 | C12 | N4 | 35.0° | 36.7° |
| C14 | C13 | C12 | H9 | 118.9° | 118.1° |
| C14 | C13 | C12 | H10 | 118.9° | 118.1° |
| C14 | C13 | C12 | H7 | 154.4° | 155.5° |
| C14 | C13 | C12 | H8 | 84.3° | 82.3° |
| C14 | C13 | H9 | H10 | 123.2° | 123.8° |
| C13 | C14 | H11 | H12 | 122.7° | 123.3° |
| C11 | C10 | O1 | H13 | 119.2° | 120.0° |
| C11 | C10 | O1 | H14 | 119.2° | 120.0° |
| C11 | C10 | O1 | C1 | 170.3° | 180.0° |
| C10 | C11 | N4 | C17 | 118.9° | 120.7° |
| C10 | C11 | N4 | C12 | 116.5° | 120.7° |
| C10 | C11 | C15 | H1 | 102.4° | 143.5° |
| C10 | C11 | C15 | H2 | 19.3° | 20.2° |
| C10 | C11 | C14 | H11 | 146.2° | 20.2° |
| C10 | C11 | C14 | H12 | 24.3° | 143.5° |
| C11 | C10 | H13 | H14 | 122.4° | 120.0° |
| N4 | C11 | C10 | O1 | 60.4° | 179.7° |
| C11 | N4 | C17 | C12 | 119.8° | 118.0° |
| C11 | N4 | C12 | C13 | 20.4° | 22.8° |
| N4 | C11 | C15 | H1 | 137.2° | 94.8° |
| N4 | C11 | C15 | H2 | 101.1° | 141.9° |
| C11 | N4 | C17 | H4 | 95.6° | 141.7° |
| C11 | N4 | C17 | H5 | 142.8° | 96.1° |
| C11 | N4 | C12 | H7 | 139.9° | 141.7° |
| C11 | N4 | C12 | H8 | 99.0° | 96.2° |
| N4 | C11 | C14 | H11 | 95.0° | 141.9° |
| N4 | C11 | C14 | H12 | 143.1° | 94.8° |
| N4 | C11 | C10 | H13 | 58.7° | 60.3° |
| N4 | C11 | C10 | H14 | 179.6° | 59.7° |
| C10 | O1 | C1 | N2 | 176.2° | 0.3° |
| C10 | O1 | C1 | N1 | 4.4° | 180.0° |
| O1 | C10 | H13 | H14 | 122.4° | 120.0° |
| O1 | C1 | N2 | N1 | 179.4° | 179.7° |
| O1 | C1 | N2 | C2 | 178.9° | 180.0° |
| O1 | C1 | N1 | C4 | 179.3° | 180.0° |
| C1 | O1 | C10 | H13 | 51.1° | 60.0° |
| C1 | O1 | C10 | H14 | 70.5° | 60.0° |
| C19 | C18 | N3 | H15 | 125.2° | 123.7° |
| C19 | C18 | N3 | C4 | 152.5° | 170.2° |
| C18 | C19 | N5 | H25 | 120.2° | 119.8° |
| C18 | C19 | N5 | H26 | 120.2° | 119.8° |
| C19 | C18 | N3 | C21 | 67.1° | 70.9° |
| C18 | C19 | N5 | C20 | 45.8° | 55.3° |
| C19 | C18 | C23 | H16 | 32.3° | 153.9° |
| C19 | C18 | C23 | H17 | 153.9° | 31.5° |
| C18 | C19 | N5 | H23 | 74.8° | 69.1° |
| C18 | C19 | H25 | H26 | 119.4° | 120.3° |
| C18 | N3 | C4 | N1 | 126.1° | 113.9° |
| C18 | N3 | C4 | C3 | 49.1° | 66.0° |
| C18 | N3 | C4 | C21 | 133.2° | 114.0° |
| N3 | C18 | C19 | N5 | 57.3° | 63.6° |
| C18 | N3 | C21 | C20 | 67.0° | 70.9° |
| N3 | C18 | C23 | H16 | 149.7° | 92.9° |
| N3 | C18 | C23 | H17 | 88.8° | 144.8° |
| C18 | N3 | C21 | H20 | 167.7° | 164.7° |
| N3 | C18 | C19 | H25 | 177.5° | 176.6° |
| N3 | C18 | C19 | H26 | 62.9° | 56.2° |
| F1 | C5 | C2 | N2 | 1.1° | 0.1° |
| F1 | C5 | C2 | C6 | 179.5° | 179.9° |
| F1 | C5 | C2 | C3 | 179.4° | 179.9° |
| F1 | C5 | C6 | C9 | 0.8° | 0.1° |
| F1 | C5 | C6 | C7 | 178.9° | 179.9° |
| C1 | N2 | C2 | C5 | 179.8° | 180.0° |
| C1 | N2 | C2 | C3 | 1.5° | 0.0° |
| N2 | C1 | N1 | C4 | 0.0° | 0.3° |
| C2 | N2 | C1 | N1 | 0.5° | 0.3° |
| N2 | C2 | C5 | C3 | 178.3° | 180.0° |
| N2 | C2 | C5 | C6 | 179.3° | 180.0° |
| N2 | C2 | C3 | C4 | 2.0° | 0.2° |
| N2 | C2 | C3 | C8 | 179.7° | 180.0° |
| C1 | N1 | C4 | C3 | 0.5° | 0.0° |
| C1 | N1 | C4 | N3 | 176.3° | 179.9° |
| F3 | C26 | C25 | C24 | 179.3° | 179.9° |
| F3 | C26 | C25 | S1 | 3.1° | 0.2° |
| F3 | C26 | C27 | H29 | 0.4° | 0.0° |
| C2 | C5 | C6 | C9 | 178.8° | 180.0° |
| C2 | C5 | C6 | C7 | 0.6° | 0.0° |
| C5 | C2 | C3 | C4 | 179.7° | 179.8° |
| C5 | C2 | C3 | C8 | 2.0° | 0.0° |
| C6 | C5 | C2 | C3 | 1.0° | 0.0° |
| C5 | C6 | C9 | C7 | 178.0° | 180.0° |
| C5 | C6 | C9 | C24 | 92.5° | 89.9° |
| C5 | C6 | C7 | C8 | 1.1° | 0.0° |
| C5 | C6 | C7 | CL1 | 178.6° | 180.0° |
| C26 | C25 | C24 | C9 | 0.5° | 0.1° |
| C26 | C25 | C24 | S1 | 177.9° | 179.9° |
| C26 | C25 | C24 | C29 | 179.7° | 180.0° |
| C26 | C25 | S1 | C30 | 179.9° | 179.9° |
| C25 | C26 | C27 | H29 | 179.0° | 179.8° |
| C2 | C3 | C4 | N1 | 1.5° | 0.3° |
| C2 | C3 | C4 | C8 | 177.4° | 179.8° |
| C2 | C3 | C4 | N3 | 176.6° | 179.8° |
| C2 | C3 | C8 | C7 | 1.5° | 0.0° |
| C2 | C3 | C8 | H27 | 178.5° | 180.0° |
| N1 | C4 | C3 | N3 | 175.1° | 179.9° |
| N1 | C4 | C3 | C8 | 178.9° | 180.0° |
| N1 | C4 | N3 | C21 | 7.1° | 0.1° |
| C9 | C6 | C7 | C8 | 179.1° | 180.0° |
| C9 | C6 | C7 | CL1 | 0.6° | 0.0° |
| C6 | C9 | C24 | C25 | 176.7° | 180.0° |
| C6 | C9 | C24 | C29 | 3.6° | 0.0° |
| C6 | C9 | C28 | H28 | 2.8° | 0.0° |
| C24 | C9 | C6 | C7 | 85.5° | 90.0° |
| C9 | C24 | C25 | C29 | 179.8° | 179.9° |
| C9 | C24 | C25 | S1 | 178.3° | 179.8° |
| C9 | C24 | C29 | C31 | 0.4° | 0.0° |
| C9 | C24 | C29 | C30 | 179.8° | 179.9° |
| C24 | C9 | C28 | H28 | 179.2° | 179.7° |
| C6 | C7 | C8 | C3 | 0.1° | 0.0° |
| C6 | C7 | C8 | CL1 | 179.6° | 180.0° |
| C6 | C7 | C8 | H27 | 179.9° | 180.0° |
| C3 | C4 | N3 | C21 | 177.7° | 180.0° |
| C4 | C3 | C8 | C7 | 179.1° | 179.7° |
| C4 | C3 | C8 | H27 | 1.0° | 0.2° |
| C8 | C3 | C4 | N3 | 6.0° | 0.1° |
| C3 | C8 | C7 | H27 | 180.0° | 180.0° |
| C3 | C8 | C7 | CL1 | 179.6° | 180.0° |
| C4 | N3 | C21 | C20 | 153.5° | 170.2° |
| C4 | N3 | C18 | H15 | 27.3° | 46.4° |
| C4 | N3 | C21 | H20 | 28.2° | 45.8° |
| C19 | N5 | C20 | C21 | 47.4° | 55.3° |
| C19 | N5 | C20 | H23 | 120.6° | 124.4° |
| N5 | C19 | C18 | H15 | 177.0° | 172.6° |
| C19 | N5 | C20 | H21 | 73.0° | 64.5° |
| C19 | N5 | C20 | H22 | 167.8° | 175.2° |
| N5 | C19 | H25 | H26 | 119.5° | 120.3° |
| C17 | N4 | C12 | C13 | 140.9° | 140.8° |
| N4 | C17 | C16 | H3 | 152.7° | 81.5° |
| N4 | C17 | H4 | H5 | 122.3° | 122.2° |
| C17 | N4 | C12 | H7 | 99.6° | 100.3° |
| C17 | N4 | C12 | H8 | 21.5° | 21.9° |
| N3 | C21 | C20 | H20 | 125.9° | 124.2° |
| N3 | C21 | C20 | N5 | 59.1° | 63.6° |
| C21 | N3 | C18 | H15 | 167.7° | 165.4° |
| N3 | C21 | C22 | H18 | 92.3° | 92.8° |
| N3 | C21 | C22 | H19 | 146.2° | 144.7° |
| N3 | C21 | C20 | H21 | 61.2° | 56.3° |
| N3 | C21 | C20 | H22 | 179.5° | 176.5° |
| C21 | C20 | N5 | H21 | 120.4° | 119.8° |
| C21 | C20 | N5 | H22 | 120.4° | 119.9° |
| C20 | C21 | C22 | H18 | 152.5° | 154.0° |
| C20 | C21 | C22 | H19 | 31.0° | 31.5° |
| C21 | C20 | H21 | H22 | 118.9° | 120.2° |
| C21 | C20 | N5 | H23 | 73.2° | 69.1° |
| CL1 | C7 | C8 | H27 | 0.4° | 0.0° |
| N5 | C20 | C21 | H20 | 175.0° | 172.2° |
| N5 | C20 | H21 | H22 | 118.9° | 120.3° |
| C20 | N5 | C19 | H25 | 166.0° | 175.1° |
| C20 | N5 | C19 | H26 | 74.4° | 64.5° |
| N4 | C12 | C13 | H7 | 119.4° | 118.9° |
| N4 | C12 | C13 | H8 | 119.4° | 118.9° |
| C12 | N4 | C17 | H4 | 144.6° | 100.3° |
| C12 | N4 | C17 | H5 | 23.0° | 21.9° |
| N4 | C12 | H7 | H8 | 121.7° | 122.2° |
| N4 | C12 | C13 | H9 | 153.9° | 81.4° |
| N4 | C12 | C13 | H10 | 83.9° | 154.8° |
| C13 | C12 | H7 | H8 | 121.7° | 122.2° |
| C12 | C13 | H9 | H10 | 123.2° | 123.9° |
| C12 | C13 | C14 | H11 | 83.4° | 154.4° |
| C12 | C13 | C14 | H12 | 154.7° | 82.2° |
| C25 | C24 | C29 | C31 | 179.4° | 180.0° |
| C25 | C24 | C29 | C30 | 0.5° | 0.0° |
| C24 | C25 | S1 | C30 | 2.2° | 0.2° |
| S1 | C25 | C24 | C29 | 1.9° | 0.1° |
| C25 | S1 | C30 | C29 | 1.7° | 0.1° |
| C25 | S1 | C30 | N7 | 178.6° | 180.0° |
| C24 | C29 | C31 | C30 | 179.8° | 179.9° |
| C24 | C29 | C30 | S1 | 1.1° | 0.1° |
| C24 | C29 | C31 | N6 | 163.7° | 105.2° |
| C24 | C29 | C30 | N7 | 179.3° | 179.9° |
| C31 | C29 | C30 | S1 | 179.1° | 179.9° |
| C31 | C29 | C30 | N7 | 0.6° | 0.0° |
| C29 | C30 | S1 | N7 | 179.7° | 179.8° |
| C30 | C29 | C31 | N6 | 16.1° | 74.9° |
| C29 | C30 | N7 | H30 | 179.6° | 179.8° |
| C29 | C30 | N7 | H31 | 59.6° | 0.2° |
| S1 | C30 | N7 | H30 | 0.0° | 0.0° |
| S1 | C30 | N7 | H31 | 120.0° | 180.0° |
| C30 | N7 | H30 | H31 | 120.0° | 180.0° |
| H1 | C15 | C16 | H3 | 90.7° | 159.7° |
| H2 | C15 | C16 | H3 | 31.1° | 36.4° |
| H3 | C16 | C17 | H4 | 33.5° | 37.5° |
| H3 | C16 | C17 | H5 | 88.1° | 159.7° |
| H7 | C12 | C13 | H9 | 86.7° | 37.5° |
| H7 | C12 | C13 | H10 | 35.5° | 86.4° |
| H8 | C12 | C13 | H9 | 34.5° | 159.6° |
| H8 | C12 | C13 | H10 | 156.8° | 35.8° |
| H9 | C13 | C14 | H11 | 35.5° | 36.3° |
| H9 | C13 | C14 | H12 | 86.4° | 159.7° |
| H10 | C13 | C14 | H11 | 157.7° | 87.4° |
| H10 | C13 | C14 | H12 | 35.8° | 36.0° |
| H15 | C18 | C23 | H16 | 91.5° | 29.3° |
| H15 | C18 | C23 | H17 | 30.0° | 93.0° |
| H15 | C18 | C19 | H25 | 56.8° | 52.8° |
| H15 | C18 | C19 | H26 | 62.8° | 67.6° |
| H16 | C23 | C22 | H18 | 119.3° | 0.1° |
| H16 | C23 | C22 | H19 | 2.1° | 122.3° |
| H17 | C23 | C22 | H18 | 2.3° | 122.4° |
| H17 | C23 | C22 | H19 | 123.7° | 0.0° |
| H18 | C22 | C21 | H20 | 27.9° | 29.1° |
| H19 | C22 | C21 | H20 | 93.6° | 93.4° |
| H20 | C21 | C20 | H21 | 64.7° | 67.9° |
| H20 | C21 | C20 | H22 | 54.6° | 52.3° |
| H21 | C20 | N5 | H23 | 166.5° | 171.1° |
| H22 | C20 | N5 | H23 | 47.2° | 50.8° |
| H23 | N5 | C19 | H25 | 45.4° | 50.8° |
| H23 | N5 | C19 | H26 | 165.1° | 171.2° |
| H28 | C28 | C27 | H29 | 1.1° | 0.0° |
