A1CSJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C8 | sing | 1.35Å | 1.33Å | |
| C8 | O1 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.48Å | 1.48Å | |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.34Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.38Å | |
| C10 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C15 | sing | 1.43Å | 1.46Å | |
| C1 | N2 | sing | 1.40Å | 1.42Å | |
| N2 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| C19 | O3 | doub | 1.22Å | 1.25Å | |
| C17 | N5 | sing | 1.39Å | 1.38Å | |
| N5 | C20 | sing | 1.39Å | 1.38Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | N6 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | N7 | sing | 1.40Å | 1.42Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| N7 | C27 | sing | 1.47Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | N8 | sing | 1.47Å | 1.46Å | |
| N8 | C29 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| N7 | C30 | sing | 1.47Å | 1.46Å | |
| N8 | C31 | sing | 1.47Å | 1.48Å | |
| C25 | O4 | sing | 1.43Å | 1.45Å | |
| C30 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | C33 | sing | 1.54Å | 1.56Å | |
| C33 | O5 | sing | 1.44Å | 1.46Å | |
| O5 | C34 | sing | 1.44Å | 1.46Å | |
| C31 | C34 | sing | 1.54Å | 1.55Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.8° | 120.0° |
| C2 | C1 | C6 | 120.2° | 119.8° |
| C2 | C1 | N2 | 120.2° | 120.1° |
| C1 | C2 | H1 | 120.6° | 120.0° |
| C2 | C3 | C4 | 121.5° | 120.1° |
| C3 | C2 | H1 | 120.6° | 120.0° |
| C2 | C3 | H2 | 119.3° | 120.0° |
| C3 | C4 | C5 | 118.2° | 120.1° |
| C3 | C4 | C7 | 122.0° | 119.9° |
| C4 | C3 | H2 | 119.3° | 119.9° |
| C4 | C5 | C6 | 120.9° | 120.1° |
| C5 | C4 | C7 | 119.7° | 119.9° |
| C4 | C5 | H3 | 119.5° | 120.0° |
| C5 | C6 | C1 | 120.3° | 119.9° |
| C6 | C5 | H3 | 119.5° | 119.9° |
| C5 | C6 | H4 | 119.8° | 120.1° |
| C6 | C1 | N2 | 118.9° | 120.1° |
| C1 | C6 | H4 | 119.9° | 120.0° |
| C4 | C7 | N1 | 110.7° | 109.5° |
| C4 | C7 | H5 | 109.2° | 109.5° |
| C4 | C7 | H6 | 109.2° | 109.5° |
| C7 | N1 | C8 | 125.7° | 120.0° |
| C7 | N1 | H7 | 117.2° | 120.0° |
| N1 | C7 | H5 | 109.2° | 109.5° |
| N1 | C7 | H6 | 109.2° | 109.4° |
| N1 | C8 | O1 | 121.8° | 120.1° |
| N1 | C8 | C9 | 118.1° | 120.0° |
| C8 | N1 | H7 | 117.1° | 120.0° |
| O1 | C8 | C9 | 120.0° | 119.9° |
| C8 | C9 | C10 | 127.8° | 120.2° |
| C8 | C9 | C14 | 115.2° | 120.1° |
| C9 | C10 | C11 | 120.6° | 119.8° |
| C10 | C9 | C14 | 117.0° | 119.7° |
| C9 | C10 | O2 | 116.4° | 120.2° |
| C10 | C11 | C12 | 121.2° | 120.1° |
| C11 | C10 | O2 | 123.0° | 120.1° |
| C10 | C11 | H8 | 119.4° | 120.0° |
| C11 | C12 | C13 | 117.1° | 120.4° |
| C12 | C11 | H8 | 119.4° | 119.9° |
| C11 | C12 | H9 | 121.4° | 119.8° |
| C12 | C13 | C14 | 123.6° | 120.3° |
| C12 | C13 | F1 | 118.8° | 119.9° |
| C13 | C12 | H9 | 121.5° | 119.8° |
| C13 | C14 | C9 | 120.5° | 119.8° |
| C14 | C13 | F1 | 117.6° | 119.9° |
| C13 | C14 | H10 | 119.7° | 120.1° |
| C9 | C14 | H10 | 119.7° | 120.1° |
| C10 | O2 | C15 | 116.9° | 117.0° |
| O2 | C15 | H11 | 109.5° | 109.4° |
| O2 | C15 | H12 | 109.5° | 109.5° |
| O2 | C15 | H13 | 109.5° | 109.5° |
| C1 | N2 | C16 | 132.1° | 126.1° |
| C1 | N2 | N3 | 116.7° | 126.1° |
| N2 | C16 | C17 | 106.6° | 106.8° |
| C16 | N2 | N3 | 109.6° | 107.8° |
| N2 | C16 | C19 | 125.9° | 126.6° |
| C16 | C17 | C18 | 106.5° | 107.5° |
| C17 | C16 | C19 | 126.6° | 126.6° |
| C16 | C17 | N5 | 122.6° | 126.2° |
| C17 | C18 | N3 | 110.4° | 108.9° |
| C18 | C17 | N5 | 130.8° | 126.3° |
| C17 | C18 | H14 | 124.8° | 125.5° |
| C18 | N3 | N2 | 106.8° | 109.1° |
| N3 | C18 | H14 | 124.9° | 125.6° |
| C16 | C19 | N4 | 123.3° | 120.0° |
| C16 | C19 | O3 | 116.4° | 120.0° |
| N4 | C19 | O3 | 120.3° | 120.0° |
| C19 | N4 | H15 | 120.0° | 120.0° |
| C19 | N4 | H16 | 120.0° | 120.0° |
| C17 | N5 | C20 | 126.1° | 120.0° |
| C17 | N5 | H17 | 117.0° | 120.0° |
| N5 | C20 | C21 | 117.2° | 119.6° |
| N5 | C20 | N6 | 120.3° | 119.7° |
| C20 | N5 | H17 | 116.9° | 120.1° |
| C20 | C21 | C22 | 118.0° | 119.2° |
| C21 | C20 | N6 | 122.6° | 120.7° |
| C20 | C21 | H18 | 121.0° | 120.4° |
| C21 | C22 | C23 | 119.6° | 118.5° |
| C22 | C21 | H18 | 121.0° | 120.5° |
| C21 | C22 | H19 | 120.2° | 120.8° |
| C22 | C23 | C24 | 119.0° | 119.2° |
| C22 | C23 | N7 | 119.3° | 120.4° |
| C23 | C22 | H19 | 120.2° | 120.8° |
| C23 | C24 | N6 | 120.8° | 120.8° |
| C24 | C23 | N7 | 121.7° | 120.4° |
| C23 | C24 | C25 | 124.8° | 119.6° |
| C24 | N6 | C20 | 119.9° | 121.7° |
| N6 | C24 | C25 | 114.4° | 119.6° |
| C23 | N7 | C27 | 112.9° | 111.0° |
| C23 | N7 | C30 | 122.0° | 111.0° |
| C24 | C25 | C26 | 113.6° | 109.5° |
| C24 | C25 | O4 | 106.6° | 109.5° |
| C24 | C25 | H20 | 108.8° | 109.5° |
| C26 | C25 | O4 | 109.1° | 109.5° |
| C26 | C25 | H20 | 109.0° | 109.5° |
| C25 | C26 | H21 | 109.5° | 109.5° |
| C25 | C26 | H22 | 109.5° | 109.5° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| N7 | C27 | C28 | 113.4° | 109.3° |
| C27 | N7 | C30 | 119.4° | 110.9° |
| N7 | C27 | H24 | 108.5° | 109.5° |
| N7 | C27 | H25 | 108.5° | 109.5° |
| C27 | C28 | N8 | 110.8° | 109.4° |
| C28 | C27 | H24 | 108.5° | 109.5° |
| C28 | C27 | H25 | 108.5° | 109.5° |
| C27 | C28 | H26 | 109.1° | 109.5° |
| C27 | C28 | H27 | 109.1° | 109.5° |
| C28 | N8 | C29 | 110.0° | 110.9° |
| C28 | N8 | C31 | 110.5° | 111.0° |
| N8 | C28 | H26 | 109.1° | 109.5° |
| N8 | C28 | H27 | 109.1° | 109.5° |
| N8 | C29 | C30 | 113.0° | 109.3° |
| C29 | N8 | C31 | 105.9° | 111.0° |
| N8 | C29 | H28 | 108.6° | 109.5° |
| N8 | C29 | H29 | 108.6° | 109.5° |
| C29 | C30 | N7 | 109.8° | 109.4° |
| C29 | C30 | C32 | 112.6° | 109.5° |
| C30 | C29 | H28 | 108.6° | 109.5° |
| C30 | C29 | H29 | 108.6° | 109.5° |
| C29 | C30 | H30 | 107.6° | 109.5° |
| N7 | C30 | C32 | 110.5° | 109.5° |
| N7 | C30 | H30 | 108.4° | 109.5° |
| N8 | C31 | C33 | 112.8° | 113.8° |
| N8 | C31 | C34 | 112.4° | 113.8° |
| N8 | C31 | H31 | 115.2° | 112.9° |
| C25 | O4 | H32 | 109.5° | 114.1° |
| O4 | C25 | H20 | 109.7° | 109.5° |
| C32 | C30 | H30 | 107.8° | 109.5° |
| C30 | C32 | H33 | 109.5° | 109.5° |
| C30 | C32 | H34 | 109.5° | 109.4° |
| C30 | C32 | H35 | 109.5° | 109.5° |
| C31 | C33 | O5 | 90.8° | 85.5° |
| C33 | C31 | C34 | 85.3° | 85.8° |
| C33 | C31 | H31 | 113.8° | 113.8° |
| C31 | C33 | H36 | 113.9° | 113.9° |
| C31 | C33 | H37 | 113.9° | 113.9° |
| C33 | O5 | C34 | 92.4° | 93.4° |
| O5 | C33 | H36 | 113.9° | 113.9° |
| O5 | C33 | H37 | 113.9° | 113.9° |
| O5 | C34 | C31 | 91.5° | 85.5° |
| O5 | C34 | H38 | 113.8° | 113.8° |
| O5 | C34 | H39 | 113.8° | 113.9° |
| C34 | C31 | H31 | 113.9° | 114.0° |
| C31 | C34 | H38 | 113.7° | 113.9° |
| C31 | C34 | H39 | 113.8° | 113.8° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.4° | 109.5° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| H21 | C26 | H22 | 109.5° | 109.4° |
| H21 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.4° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H33 | C32 | H35 | 109.4° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.4° |
| H36 | C33 | H37 | 109.5° | 113.1° |
| H38 | C34 | H39 | 109.5° | 113.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 1.3° | 0.3° |
| C2 | C1 | C6 | C5 | 5.0° | 0.6° |
| C2 | C1 | C6 | N2 | 170.7° | 180.0° |
| C2 | C1 | N2 | C16 | 143.6° | 43.3° |
| C2 | C1 | N2 | N3 | 52.7° | 136.8° |
| C2 | C1 | C6 | H4 | 175.0° | 179.7° |
| C1 | C2 | C3 | H2 | 178.7° | 179.8° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C3 | C2 | C1 | C6 | 4.4° | 0.0° |
| C2 | C3 | C4 | C7 | 177.5° | 179.4° |
| C3 | C2 | C1 | N2 | 175.1° | 180.0° |
| C3 | C4 | C5 | C7 | 176.2° | 179.4° |
| C3 | C4 | C5 | C6 | 0.9° | 0.6° |
| C3 | C4 | C7 | N1 | 48.0° | 90.5° |
| C4 | C3 | C2 | H1 | 178.7° | 180.0° |
| C3 | C4 | C5 | H3 | 179.1° | 179.5° |
| C3 | C4 | C7 | H5 | 168.2° | 149.4° |
| C3 | C4 | C7 | H6 | 72.2° | 29.4° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 2.3° | 0.9° |
| C5 | C4 | C7 | N1 | 135.9° | 90.1° |
| C4 | C5 | C6 | H4 | 177.7° | 180.0° |
| C5 | C4 | C3 | H2 | 178.6° | 179.9° |
| C5 | C4 | C7 | H5 | 15.7° | 30.0° |
| C5 | C4 | C7 | H6 | 103.9° | 150.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.1° |
| C6 | C5 | C4 | C7 | 177.1° | 180.0° |
| C5 | C6 | C1 | N2 | 175.7° | 179.4° |
| C6 | C1 | N2 | C16 | 45.7° | 136.8° |
| C6 | C1 | N2 | N3 | 118.0° | 43.2° |
| C6 | C1 | C2 | H1 | 175.5° | 179.7° |
| C1 | C6 | C5 | H3 | 177.8° | 179.2° |
| C4 | C7 | N1 | H5 | 120.2° | 120.1° |
| C4 | C7 | N1 | H6 | 120.2° | 119.9° |
| C4 | C7 | N1 | C8 | 129.4° | 180.0° |
| C4 | C7 | N1 | H7 | 50.6° | 0.3° |
| C7 | C4 | C5 | H3 | 2.9° | 0.0° |
| C7 | C4 | C3 | H2 | 2.5° | 0.5° |
| C4 | C7 | H5 | H6 | 119.4° | 120.0° |
| C7 | N1 | C8 | H7 | 180.0° | 179.7° |
| C7 | N1 | C8 | O1 | 2.3° | 0.3° |
| C7 | N1 | C8 | C9 | 173.9° | 179.7° |
| N1 | C7 | H5 | H6 | 119.4° | 120.0° |
| N1 | C8 | O1 | C9 | 176.1° | 180.0° |
| N1 | C8 | C9 | C10 | 7.5° | 180.0° |
| N1 | C8 | C9 | C14 | 172.8° | 0.3° |
| C8 | N1 | C7 | H5 | 110.4° | 59.9° |
| C8 | N1 | C7 | H6 | 9.3° | 60.1° |
| O1 | C8 | C9 | C10 | 176.2° | 0.0° |
| O1 | C8 | C9 | C14 | 3.5° | 179.7° |
| O1 | C8 | N1 | H7 | 177.7° | 180.0° |
| C8 | C9 | C10 | C14 | 179.6° | 179.7° |
| C8 | C9 | C10 | C11 | 179.1° | 180.0° |
| C8 | C9 | C14 | C13 | 178.9° | 179.7° |
| C8 | C9 | C10 | O2 | 0.1° | 0.0° |
| C9 | C8 | N1 | H7 | 6.1° | 0.0° |
| C8 | C9 | C14 | H10 | 1.1° | 0.0° |
| C9 | C10 | C11 | O2 | 179.2° | 180.0° |
| C9 | C10 | C11 | C12 | 3.0° | 0.0° |
| C10 | C9 | C14 | C13 | 0.8° | 0.5° |
| C9 | C10 | O2 | C15 | 178.4° | 180.0° |
| C9 | C10 | C11 | H8 | 177.0° | 180.0° |
| C10 | C9 | C14 | H10 | 179.2° | 179.7° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.5° | 0.0° |
| C11 | C10 | C9 | C14 | 1.3° | 0.3° |
| C11 | C10 | O2 | C15 | 0.8° | 0.0° |
| C10 | C11 | C12 | H9 | 177.5° | 179.9° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.3° |
| C11 | C12 | C13 | F1 | 178.5° | 179.9° |
| C12 | C11 | C10 | O2 | 177.9° | 180.0° |
| C12 | C13 | C14 | F1 | 178.2° | 179.7° |
| C12 | C13 | C14 | C9 | 1.4° | 0.6° |
| C13 | C12 | C11 | H8 | 177.5° | 180.0° |
| C12 | C13 | C14 | H10 | 178.7° | 179.7° |
| C13 | C14 | C9 | H10 | 180.0° | 179.7° |
| C14 | C13 | C12 | H9 | 179.7° | 179.8° |
| C9 | C14 | C13 | F1 | 176.8° | 179.7° |
| C14 | C9 | C10 | O2 | 179.5° | 179.8° |
| F1 | C13 | C12 | H9 | 1.5° | 0.0° |
| F1 | C13 | C14 | H10 | 3.1° | 0.1° |
| O2 | C10 | C11 | H8 | 2.1° | 0.0° |
| C10 | O2 | C15 | H11 | 180.0° | 180.0° |
| C10 | O2 | C15 | H12 | 60.0° | 60.0° |
| C10 | O2 | C15 | H13 | 60.0° | 60.0° |
| O2 | C15 | H11 | H12 | 120.0° | 120.0° |
| O2 | C15 | H11 | H13 | 120.0° | 120.0° |
| O2 | C15 | H12 | H13 | 120.0° | 120.0° |
| C1 | N2 | C16 | N3 | 164.6° | 180.0° |
| C1 | N2 | C16 | C17 | 167.8° | 180.0° |
| C1 | N2 | N3 | C18 | 171.1° | 180.0° |
| C1 | N2 | C16 | C19 | 22.3° | 0.0° |
| N2 | C1 | C2 | H1 | 4.9° | 0.4° |
| N2 | C1 | C6 | H4 | 4.3° | 0.3° |
| N2 | C16 | C17 | C19 | 169.8° | 180.0° |
| N2 | C16 | C17 | C18 | 1.3° | 0.0° |
| C16 | N2 | N3 | C18 | 3.9° | 0.0° |
| N2 | C16 | C19 | N4 | 9.2° | 84.6° |
| N2 | C16 | C19 | O3 | 173.2° | 95.4° |
| N2 | C16 | C17 | N5 | 176.5° | 180.0° |
| C16 | C17 | C18 | N5 | 177.5° | 180.0° |
| C16 | C17 | C18 | N3 | 1.1° | 0.0° |
| C17 | C16 | N2 | N3 | 3.2° | 0.0° |
| C17 | C16 | C19 | N4 | 158.8° | 95.4° |
| C17 | C16 | C19 | O3 | 18.8° | 84.6° |
| C16 | C17 | N5 | C20 | 173.1° | 173.2° |
| C16 | C17 | C18 | H14 | 178.9° | 180.0° |
| C16 | C17 | N5 | H17 | 6.9° | 6.8° |
| C17 | C18 | N3 | H14 | 180.0° | 179.9° |
| C17 | C18 | N3 | N2 | 3.0° | 0.0° |
| C18 | C17 | C16 | C19 | 171.1° | 180.0° |
| C18 | C17 | N5 | C20 | 9.7° | 6.7° |
| C18 | C17 | N5 | H17 | 170.3° | 173.2° |
| N3 | C18 | C17 | N5 | 178.6° | 180.0° |
| N3 | N2 | C16 | C19 | 173.1° | 180.0° |
| N2 | N3 | C18 | H14 | 177.0° | 180.0° |
| C16 | C19 | N4 | O3 | 177.5° | 180.0° |
| C19 | C16 | C17 | N5 | 6.6° | 0.0° |
| C16 | C19 | N4 | H15 | 177.5° | 4.9° |
| C16 | C19 | N4 | H16 | 2.5° | 175.0° |
| C19 | N4 | H15 | H16 | 180.0° | 179.9° |
| O3 | C19 | N4 | H15 | 0.0° | 175.0° |
| O3 | C19 | N4 | H16 | 180.0° | 5.0° |
| C17 | N5 | C20 | H17 | 180.0° | 180.0° |
| C17 | N5 | C20 | C21 | 167.9° | 174.4° |
| C17 | N5 | C20 | N6 | 12.8° | 5.3° |
| N5 | C17 | C18 | H14 | 1.4° | 0.0° |
| N5 | C20 | C21 | N6 | 179.3° | 179.8° |
| N5 | C20 | C21 | C22 | 179.6° | 179.9° |
| N5 | C20 | N6 | C24 | 179.8° | 179.7° |
| N5 | C20 | C21 | H18 | 0.4° | 0.0° |
| C20 | C21 | C22 | H18 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 1.4° | 0.1° |
| C21 | C20 | N6 | C24 | 0.5° | 0.5° |
| C21 | C20 | N5 | H17 | 12.1° | 5.5° |
| C20 | C21 | C22 | H19 | 178.6° | 180.0° |
| C21 | C22 | C23 | H19 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 4.2° | 0.1° |
| C22 | C21 | C20 | N6 | 1.0° | 0.3° |
| C21 | C22 | C23 | N7 | 177.6° | 180.0° |
| C22 | C23 | C24 | N7 | 178.1° | 179.9° |
| C22 | C23 | C24 | N6 | 4.9° | 0.3° |
| C22 | C23 | C24 | C25 | 174.3° | 180.0° |
| C22 | C23 | N7 | C27 | 111.4° | 63.9° |
| C22 | C23 | N7 | C30 | 41.8° | 59.9° |
| C23 | C22 | C21 | H18 | 178.6° | 180.0° |
| C23 | C24 | N6 | C25 | 179.2° | 179.7° |
| C23 | C24 | N6 | C20 | 2.5° | 0.5° |
| C23 | C24 | C25 | C26 | 128.4° | 105.0° |
| C24 | C23 | N7 | C27 | 70.5° | 116.0° |
| C24 | C23 | N7 | C30 | 136.3° | 120.2° |
| C23 | C24 | C25 | O4 | 111.4° | 135.0° |
| C24 | C23 | C22 | H19 | 175.8° | 180.0° |
| C23 | C24 | C25 | H20 | 6.8° | 15.0° |
| N6 | C24 | C23 | N7 | 177.0° | 179.8° |
| N6 | C24 | C25 | C26 | 52.4° | 75.3° |
| N6 | C24 | C25 | O4 | 67.8° | 44.7° |
| N6 | C24 | C25 | H20 | 174.0° | 164.8° |
| C20 | N6 | C24 | C25 | 176.7° | 179.7° |
| N6 | C20 | N5 | H17 | 167.2° | 174.7° |
| N6 | C20 | C21 | H18 | 179.0° | 179.8° |
| N7 | C23 | C24 | C25 | 3.8° | 0.0° |
| C23 | N7 | C27 | C30 | 154.0° | 123.9° |
| C23 | N7 | C27 | C28 | 166.7° | 176.8° |
| C23 | N7 | C30 | C29 | 169.2° | 176.8° |
| C23 | N7 | C30 | C32 | 44.5° | 56.8° |
| N7 | C23 | C22 | H19 | 2.4° | 0.1° |
| C23 | N7 | C27 | H24 | 46.2° | 56.9° |
| C23 | N7 | C27 | H25 | 72.7° | 63.2° |
| C23 | N7 | C30 | H30 | 73.4° | 63.2° |
| C24 | C25 | C26 | O4 | 118.8° | 120.0° |
| C24 | C25 | C26 | H20 | 121.4° | 120.0° |
| C24 | C25 | O4 | H20 | 117.6° | 120.1° |
| C24 | C25 | O4 | H32 | 180.0° | 60.0° |
| C24 | C25 | C26 | H21 | 180.0° | 60.0° |
| C24 | C25 | C26 | H22 | 60.0° | 180.0° |
| C24 | C25 | C26 | H23 | 60.0° | 60.0° |
| C26 | C25 | O4 | H20 | 119.4° | 120.0° |
| C26 | C25 | O4 | H32 | 57.0° | 60.0° |
| C25 | C26 | H21 | H22 | 120.0° | 120.0° |
| C25 | C26 | H21 | H23 | 120.0° | 120.0° |
| C25 | C26 | H22 | H23 | 120.0° | 120.0° |
| N7 | C27 | C28 | H24 | 120.6° | 120.0° |
| N7 | C27 | C28 | H25 | 120.6° | 120.0° |
| N7 | C27 | C28 | N8 | 47.5° | 58.4° |
| C27 | N7 | C30 | C29 | 39.2° | 59.3° |
| C27 | N7 | C30 | C32 | 164.0° | 179.3° |
| N7 | C27 | H24 | H25 | 118.2° | 120.1° |
| N7 | C27 | C28 | H26 | 72.7° | 61.6° |
| N7 | C27 | C28 | H27 | 167.7° | 178.3° |
| C27 | N7 | C30 | H30 | 78.1° | 60.7° |
| C27 | C28 | N8 | H26 | 120.2° | 120.0° |
| C27 | C28 | N8 | H27 | 120.2° | 120.0° |
| C27 | C28 | N8 | C29 | 59.4° | 59.3° |
| C28 | C27 | N7 | C30 | 39.3° | 59.3° |
| C27 | C28 | N8 | C31 | 176.0° | 176.8° |
| C28 | C27 | H24 | H25 | 118.2° | 120.0° |
| C27 | C28 | H26 | H27 | 119.4° | 120.1° |
| C28 | N8 | C29 | C31 | 119.5° | 123.9° |
| C28 | N8 | C29 | C30 | 62.2° | 59.3° |
| C28 | N8 | C31 | C33 | 166.4° | 179.1° |
| C28 | N8 | C31 | C34 | 72.0° | 84.7° |
| N8 | C28 | C27 | H24 | 168.1° | 178.4° |
| N8 | C28 | C27 | H25 | 73.1° | 61.6° |
| N8 | C28 | H26 | H27 | 119.4° | 120.0° |
| C28 | N8 | C29 | H28 | 58.3° | 60.6° |
| C28 | N8 | C29 | H29 | 177.2° | 179.2° |
| C28 | N8 | C31 | H31 | 60.8° | 47.3° |
| N8 | C29 | C30 | H28 | 120.5° | 119.9° |
| N8 | C29 | C30 | H29 | 120.5° | 120.0° |
| N8 | C29 | C30 | N7 | 50.0° | 58.4° |
| N8 | C29 | C30 | C32 | 173.5° | 178.4° |
| C29 | N8 | C31 | C33 | 74.5° | 55.3° |
| C29 | N8 | C31 | C34 | 168.9° | 151.5° |
| C29 | N8 | C28 | H26 | 60.8° | 60.7° |
| C29 | N8 | C28 | H27 | 179.7° | 179.3° |
| N8 | C29 | H28 | H29 | 118.4° | 120.1° |
| N8 | C29 | C30 | H30 | 67.8° | 61.6° |
| C29 | N8 | C31 | H31 | 58.4° | 76.5° |
| C29 | C30 | N7 | C32 | 124.7° | 120.0° |
| C29 | C30 | N7 | H30 | 117.3° | 120.0° |
| C30 | C29 | N8 | C31 | 178.3° | 176.8° |
| C29 | C30 | C32 | H30 | 118.5° | 120.1° |
| C30 | C29 | H28 | H29 | 118.4° | 120.0° |
| C29 | C30 | C32 | H33 | 180.0° | 59.9° |
| C29 | C30 | C32 | H34 | 60.0° | 60.1° |
| C29 | C30 | C32 | H35 | 60.0° | 179.9° |
| N7 | C30 | C32 | H30 | 118.3° | 120.0° |
| C30 | N7 | C27 | H24 | 159.9° | 179.2° |
| C30 | N7 | C27 | H25 | 81.3° | 60.6° |
| N7 | C30 | C29 | H28 | 70.5° | 61.6° |
| N7 | C30 | C29 | H29 | 170.5° | 178.4° |
| N7 | C30 | C32 | H33 | 56.8° | 60.1° |
| N7 | C30 | C32 | H34 | 63.2° | 180.0° |
| N7 | C30 | C32 | H35 | 176.8° | 60.0° |
| N8 | C31 | C33 | C34 | 112.3° | 114.2° |
| N8 | C31 | C33 | H31 | 133.6° | 131.4° |
| N8 | C31 | C33 | O5 | 115.1° | 136.8° |
| N8 | C31 | C34 | O5 | 115.6° | 136.8° |
| N8 | C31 | C34 | H31 | 133.3° | 131.5° |
| C31 | N8 | C28 | H26 | 55.8° | 63.2° |
| C31 | N8 | C28 | H27 | 63.8° | 56.8° |
| C31 | N8 | C29 | H28 | 61.2° | 63.3° |
| C31 | N8 | C29 | H29 | 57.8° | 56.9° |
| N8 | C31 | C33 | H36 | 1.6° | 22.7° |
| N8 | C31 | C33 | H37 | 128.2° | 109.0° |
| N8 | C31 | C34 | H38 | 1.3° | 109.1° |
| N8 | C31 | C34 | H39 | 127.6° | 22.7° |
| O4 | C25 | C26 | H21 | 61.2° | 180.0° |
| O4 | C25 | C26 | H22 | 58.8° | 60.1° |
| O4 | C25 | C26 | H23 | 178.8° | 59.9° |
| C32 | C30 | C29 | H28 | 53.0° | 58.4° |
| C32 | C30 | C29 | H29 | 66.0° | 61.7° |
| C30 | C32 | H33 | H34 | 120.0° | 119.9° |
| C30 | C32 | H33 | H35 | 120.0° | 120.1° |
| C30 | C32 | H34 | H35 | 120.0° | 120.0° |
| C31 | C33 | O5 | H36 | 116.7° | 114.1° |
| C31 | C33 | O5 | H37 | 116.7° | 114.2° |
| C33 | C31 | C34 | O5 | 2.8° | 22.6° |
| C33 | C31 | C34 | H31 | 113.9° | 114.3° |
| C31 | C33 | H36 | H37 | 128.8° | 132.1° |
| C33 | C31 | C34 | H38 | 114.0° | 136.7° |
| C33 | C31 | C34 | H39 | 119.7° | 91.5° |
| O5 | C33 | C31 | H31 | 111.3° | 91.8° |
| O5 | C33 | H36 | H37 | 128.9° | 132.1° |
| C33 | O5 | C34 | H38 | 113.8° | 138.3° |
| C33 | O5 | C34 | H39 | 119.9° | 89.9° |
| O5 | C34 | C31 | H38 | 116.8° | 114.1° |
| O5 | C34 | C31 | H39 | 116.9° | 114.1° |
| O5 | C34 | C31 | H31 | 111.1° | 91.7° |
| C34 | O5 | C33 | H36 | 113.7° | 89.9° |
| C34 | O5 | C33 | H37 | 119.7° | 138.4° |
| O5 | C34 | H38 | H39 | 128.5° | 132.1° |
| C34 | C31 | C33 | H36 | 113.9° | 91.5° |
| C34 | C31 | C33 | H37 | 119.5° | 136.8° |
| C31 | C34 | H38 | H39 | 128.5° | 132.1° |
| H7 | N1 | C7 | H5 | 69.6° | 119.7° |
| H7 | N1 | C7 | H6 | 170.7° | 120.3° |
| H1 | C2 | C3 | H2 | 1.3° | 0.1° |
| H32 | O4 | C25 | H20 | 62.4° | 179.9° |
| H3 | C5 | C6 | H4 | 2.2° | 0.1° |
| H8 | C11 | C12 | H9 | 2.5° | 0.1° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H18 | C21 | C22 | H19 | 1.4° | 0.1° |
| H20 | C25 | C26 | H21 | 58.6° | 60.0° |
| H20 | C25 | C26 | H22 | 178.5° | 60.0° |
| H20 | C25 | C26 | H23 | 61.4° | 180.0° |
| H21 | C26 | H22 | H23 | 120.0° | 120.0° |
| H24 | C27 | C28 | H26 | 47.9° | 58.4° |
| H24 | C27 | C28 | H27 | 71.7° | 61.7° |
| H25 | C27 | C28 | H26 | 166.7° | 178.5° |
| H25 | C27 | C28 | H27 | 47.1° | 58.4° |
| H28 | C29 | C30 | H30 | 171.7° | 178.5° |
| H29 | C29 | C30 | H30 | 52.7° | 58.4° |
| H30 | C30 | C32 | H33 | 61.5° | 180.0° |
| H30 | C30 | C32 | H34 | 178.5° | 60.0° |
| H30 | C30 | C32 | H35 | 58.5° | 60.0° |
| H31 | C31 | C33 | H36 | 132.0° | 154.1° |
| H31 | C31 | C33 | H37 | 5.4° | 22.4° |
| H31 | C31 | C34 | H38 | 132.1° | 22.4° |
| H31 | C31 | C34 | H39 | 5.8° | 154.2° |
| H33 | C32 | H34 | H35 | 120.0° | 120.0° |
