9AO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | N | sing | 1.35Å | 1.41Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C3 | N | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C4 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C5 | sing | 1.35Å | 1.42Å | |
| C5 | N2 | sing | 1.34Å | 1.43Å | |
| C5 | O1 | doub | 1.22Å | 1.24Å | |
| N2 | C6 | doub | 1.32Å | 1.37Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | N4 | sing | 1.46Å | 1.50Å | |
| C6 | N4 | sing | 1.36Å | 1.43Å | |
| C6 | N3 | sing | 1.36Å | 1.38Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | C25 | sing | 1.51Å | 1.60Å | |
| C10 | N5 | sing | 1.46Å | 1.48Å | |
| O3 | C25 | doub | 1.21Å | 1.23Å | |
| C25 | N6 | sing | 1.35Å | 1.42Å | |
| N6 | C26 | sing | 1.46Å | 1.51Å | |
| N5 | C11 | sing | 1.35Å | 1.41Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C19 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | O4 | sing | 1.36Å | 1.35Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| N | H38 | sing | 0.97Å | 1.00Å | |
| C | H39 | sing | 1.09Å | 1.10Å | |
| C | H40 | sing | 1.09Å | 1.10Å | |
| C | H41 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C2 | C1 | 120.2° | 120.0° |
| O | C2 | N | 122.3° | 120.0° |
| C1 | C2 | N | 117.5° | 120.0° |
| C2 | C1 | C | 114.2° | 109.5° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C2 | C1 | H2 | 108.3° | 109.4° |
| C2 | N | C3 | 125.5° | 120.0° |
| C2 | N | H38 | 117.2° | 120.0° |
| C | C1 | H1 | 108.3° | 109.5° |
| C | C1 | H2 | 108.3° | 109.5° |
| C1 | C | H39 | 109.5° | 109.5° |
| C1 | C | H40 | 109.4° | 109.5° |
| C1 | C | H41 | 109.5° | 109.5° |
| N | C3 | C4 | 110.4° | 109.5° |
| N | C3 | H6 | 109.3° | 109.5° |
| N | C3 | H7 | 109.2° | 109.4° |
| C3 | N | H38 | 117.2° | 120.0° |
| C3 | C4 | N1 | 114.4° | 109.5° |
| C4 | C3 | H6 | 109.2° | 109.5° |
| C4 | C3 | H7 | 109.2° | 109.5° |
| C3 | C4 | H36 | 108.2° | 109.5° |
| C3 | C4 | H37 | 108.3° | 109.4° |
| C4 | N1 | C5 | 127.0° | 120.0° |
| C4 | N1 | H5 | 116.5° | 120.0° |
| N1 | C4 | H36 | 108.2° | 109.5° |
| N1 | C4 | H37 | 108.2° | 109.5° |
| N1 | C5 | N2 | 113.1° | 120.0° |
| N1 | C5 | O1 | 121.1° | 120.0° |
| C5 | N1 | H5 | 116.5° | 120.0° |
| N2 | C5 | O1 | 125.8° | 120.0° |
| C5 | N2 | C6 | 127.6° | 120.0° |
| N2 | C6 | N4 | 116.7° | 120.0° |
| N2 | C6 | N3 | 127.2° | 120.0° |
| C8 | C7 | N4 | 112.9° | 109.5° |
| C7 | C8 | C9 | 111.6° | 109.5° |
| C7 | C8 | H31 | 108.9° | 109.5° |
| C7 | C8 | H32 | 108.9° | 109.5° |
| C8 | C7 | H33 | 108.6° | 109.5° |
| C8 | C7 | H34 | 108.6° | 109.5° |
| C7 | N4 | C6 | 126.2° | 120.0° |
| N4 | C7 | H33 | 108.6° | 109.5° |
| N4 | C7 | H34 | 108.6° | 109.5° |
| C7 | N4 | H35 | 116.9° | 120.0° |
| N4 | C6 | N3 | 116.1° | 120.0° |
| C6 | N4 | H35 | 116.9° | 120.0° |
| C6 | N3 | H4 | 120.0° | 120.0° |
| C6 | N3 | H3 | 120.0° | 120.0° |
| C8 | C9 | C10 | 121.6° | 109.5° |
| C8 | C9 | H29 | 106.3° | 109.5° |
| C8 | C9 | H30 | 106.3° | 109.5° |
| C9 | C8 | H31 | 109.0° | 109.5° |
| C9 | C8 | H32 | 108.9° | 109.5° |
| C9 | C10 | C25 | 113.2° | 109.5° |
| C9 | C10 | N5 | 102.0° | 109.5° |
| C9 | C10 | H16 | 110.0° | 109.5° |
| C10 | C9 | H29 | 106.4° | 109.5° |
| C10 | C9 | H30 | 106.4° | 109.5° |
| C25 | C10 | N5 | 110.6° | 109.5° |
| C10 | C25 | O3 | 116.5° | 120.0° |
| C10 | C25 | N6 | 122.7° | 120.0° |
| C25 | C10 | H16 | 109.6° | 109.4° |
| C10 | N5 | C11 | 136.1° | 120.1° |
| N5 | C10 | H16 | 111.3° | 109.5° |
| C10 | N5 | H17 | 112.0° | 120.0° |
| O3 | C25 | N6 | 120.8° | 120.0° |
| C25 | N6 | C26 | 125.4° | 120.0° |
| C25 | N6 | H8 | 117.3° | 120.0° |
| N6 | C26 | C27 | 114.3° | 109.5° |
| C26 | N6 | H8 | 117.3° | 120.0° |
| N6 | C26 | H9 | 108.2° | 109.5° |
| N6 | C26 | H10 | 108.3° | 109.5° |
| N5 | C11 | C12 | 120.2° | 120.0° |
| N5 | C11 | O2 | 117.1° | 119.9° |
| C11 | N5 | H17 | 112.0° | 120.0° |
| C26 | C27 | C28 | 120.2° | 119.9° |
| C26 | C27 | C32 | 120.7° | 119.9° |
| C27 | C26 | H9 | 108.3° | 109.5° |
| C27 | C26 | H10 | 108.3° | 109.5° |
| C15 | C14 | C13 | 119.2° | 120.0° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C14 | C15 | H27 | 119.5° | 120.0° |
| C15 | C14 | H28 | 120.4° | 120.0° |
| C14 | C13 | C12 | 117.2° | 120.0° |
| C14 | C13 | C18 | 119.8° | 120.0° |
| C13 | C14 | H28 | 120.4° | 120.0° |
| C12 | C11 | O2 | 122.7° | 120.0° |
| C11 | C12 | C13 | 114.9° | 109.5° |
| C11 | C12 | C19 | 114.5° | 109.5° |
| C11 | C12 | H18 | 105.7° | 109.4° |
| C13 | C12 | C19 | 108.8° | 109.5° |
| C12 | C13 | C18 | 122.7° | 120.0° |
| C13 | C12 | H18 | 106.2° | 109.5° |
| C12 | C19 | C24 | 118.9° | 120.0° |
| C12 | C19 | C20 | 121.9° | 120.0° |
| C19 | C12 | H18 | 105.9° | 109.5° |
| C27 | C28 | C29 | 121.3° | 120.0° |
| C28 | C27 | C32 | 119.1° | 120.2° |
| C27 | C28 | H15 | 119.4° | 120.1° |
| C28 | C29 | C30 | 118.3° | 119.9° |
| C28 | C29 | H14 | 120.8° | 120.0° |
| C29 | C28 | H15 | 119.4° | 119.9° |
| C27 | C32 | C31 | 121.0° | 120.0° |
| C27 | C32 | H11 | 119.5° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C15 | C16 | H26 | 120.0° | 119.9° |
| C16 | C15 | H27 | 119.5° | 120.0° |
| C13 | C18 | C17 | 119.8° | 120.0° |
| C13 | C18 | H24 | 120.1° | 120.0° |
| C19 | C24 | C23 | 120.5° | 120.0° |
| C24 | C19 | C20 | 119.2° | 120.0° |
| C19 | C24 | H19 | 119.8° | 120.0° |
| C24 | C23 | C22 | 119.7° | 120.0° |
| C23 | C24 | H19 | 119.8° | 120.0° |
| C24 | C23 | H20 | 120.1° | 120.0° |
| C19 | C20 | C21 | 119.6° | 120.1° |
| C19 | C20 | H23 | 120.2° | 120.0° |
| C29 | C30 | C31 | 121.5° | 119.9° |
| C29 | C30 | O4 | 115.7° | 120.1° |
| C30 | C29 | H14 | 120.8° | 120.1° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H25 | 119.9° | 120.1° |
| C17 | C16 | H26 | 120.0° | 120.0° |
| C32 | C31 | C30 | 118.8° | 120.0° |
| C31 | C32 | H11 | 119.5° | 120.0° |
| C32 | C31 | H12 | 120.6° | 120.0° |
| C23 | C22 | C21 | 120.0° | 119.9° |
| C22 | C23 | H20 | 120.2° | 120.0° |
| C23 | C22 | H21 | 120.0° | 120.0° |
| C17 | C18 | H24 | 120.1° | 120.0° |
| C18 | C17 | H25 | 119.9° | 120.0° |
| C20 | C21 | C22 | 121.0° | 120.0° |
| C20 | C21 | H22 | 119.5° | 120.1° |
| C21 | C20 | H23 | 120.2° | 119.9° |
| C31 | C30 | O4 | 122.8° | 120.1° |
| C30 | C31 | H12 | 120.6° | 120.0° |
| C30 | O4 | H13 | 109.5° | 114.0° |
| C21 | C22 | H21 | 120.0° | 120.0° |
| C22 | C21 | H22 | 119.5° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | N3 | H3 | 120.0° | 120.0° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.5° |
| H31 | C8 | H32 | 109.5° | 109.4° |
| H33 | C7 | H34 | 109.5° | 109.4° |
| H36 | C4 | H37 | 109.5° | 109.5° |
| H39 | C | H40 | 109.5° | 109.5° |
| H39 | C | H41 | 109.5° | 109.4° |
| H40 | C | H41 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C2 | C1 | N | 178.8° | 180.0° |
| O | C2 | C1 | C | 127.9° | 0.0° |
| O | C2 | N | C3 | 0.7° | 0.0° |
| O | C2 | C1 | H1 | 7.2° | 120.0° |
| O | C2 | C1 | H2 | 111.4° | 120.0° |
| O | C2 | N | H38 | 179.3° | 179.9° |
| C2 | C1 | C | H1 | 120.7° | 120.0° |
| C2 | C1 | C | H2 | 120.7° | 120.0° |
| C1 | C2 | N | C3 | 178.0° | 180.0° |
| C2 | C1 | H1 | H2 | 117.8° | 120.0° |
| C1 | C2 | N | H38 | 2.0° | 0.1° |
| C2 | C1 | C | H39 | 180.0° | 180.0° |
| C2 | C1 | C | H40 | 60.0° | 60.0° |
| C2 | C1 | C | H41 | 60.0° | 60.0° |
| N | C2 | C1 | C | 53.4° | 180.0° |
| C2 | N | C3 | H38 | 180.0° | 179.9° |
| C2 | N | C3 | C4 | 117.0° | 180.0° |
| N | C2 | C1 | H1 | 174.1° | 60.0° |
| N | C2 | C1 | H2 | 67.3° | 60.0° |
| C2 | N | C3 | H6 | 3.2° | 60.0° |
| C2 | N | C3 | H7 | 122.9° | 60.0° |
| C | C1 | H1 | H2 | 117.9° | 120.0° |
| C1 | C | H39 | H40 | 120.0° | 120.0° |
| C1 | C | H39 | H41 | 120.0° | 120.0° |
| C1 | C | H40 | H41 | 120.0° | 120.0° |
| N | C3 | C4 | H6 | 120.2° | 120.0° |
| N | C3 | C4 | H7 | 120.1° | 119.9° |
| N | C3 | C4 | N1 | 67.8° | 180.0° |
| N | C3 | H6 | H7 | 119.6° | 120.0° |
| N | C3 | C4 | H36 | 171.5° | 60.0° |
| N | C3 | C4 | H37 | 52.9° | 60.0° |
| C3 | C4 | N1 | H36 | 120.7° | 120.0° |
| C3 | C4 | N1 | H37 | 120.7° | 120.0° |
| C3 | C4 | N1 | C5 | 79.0° | 180.0° |
| C3 | C4 | N1 | H5 | 101.1° | 0.0° |
| C4 | C3 | H6 | H7 | 119.5° | 120.0° |
| C3 | C4 | H36 | H37 | 117.8° | 120.0° |
| C4 | C3 | N | H38 | 63.0° | 0.1° |
| C4 | N1 | C5 | H5 | 180.0° | 180.0° |
| C4 | N1 | C5 | N2 | 0.2° | 180.0° |
| C4 | N1 | C5 | O1 | 177.9° | 0.0° |
| N1 | C4 | C3 | H6 | 52.3° | 60.0° |
| N1 | C4 | C3 | H7 | 172.0° | 60.0° |
| N1 | C4 | H36 | H37 | 117.7° | 120.0° |
| N1 | C5 | N2 | O1 | 178.0° | 180.0° |
| N1 | C5 | N2 | C6 | 177.6° | 72.6° |
| C5 | N1 | C4 | H36 | 160.3° | 60.0° |
| C5 | N1 | C4 | H37 | 41.8° | 60.0° |
| C5 | N2 | C6 | N4 | 174.1° | 175.1° |
| C5 | N2 | C6 | N3 | 4.6° | 4.9° |
| N2 | C5 | N1 | H5 | 179.9° | 0.0° |
| O1 | C5 | N2 | C6 | 4.4° | 107.4° |
| O1 | C5 | N1 | H5 | 2.0° | 180.0° |
| N2 | C6 | N4 | C7 | 0.2° | 180.0° |
| N2 | C6 | N4 | N3 | 178.8° | 180.0° |
| N2 | C6 | N3 | H4 | 178.6° | 5.7° |
| N2 | C6 | N4 | H35 | 179.8° | 0.0° |
| N2 | C6 | N3 | H3 | 1.4° | 174.3° |
| C8 | C7 | N4 | H33 | 120.5° | 120.0° |
| C8 | C7 | N4 | H34 | 120.5° | 120.0° |
| C8 | C7 | N4 | C6 | 45.0° | 180.0° |
| C7 | C8 | C9 | H31 | 120.3° | 120.1° |
| C7 | C8 | C9 | H32 | 120.3° | 120.0° |
| C7 | C8 | C9 | C10 | 109.2° | 180.0° |
| C7 | C8 | C9 | H29 | 129.1° | 60.0° |
| C7 | C8 | C9 | H30 | 12.5° | 60.0° |
| C7 | C8 | H31 | H32 | 119.0° | 120.0° |
| C8 | C7 | H33 | H34 | 118.4° | 120.0° |
| C8 | C7 | N4 | H35 | 135.0° | 0.0° |
| C7 | N4 | C6 | H35 | 180.0° | 180.0° |
| C7 | N4 | C6 | N3 | 179.0° | 0.0° |
| N4 | C7 | C8 | C9 | 65.8° | 180.0° |
| N4 | C7 | C8 | H31 | 54.5° | 60.0° |
| N4 | C7 | C8 | H32 | 173.9° | 60.0° |
| N4 | C7 | H33 | H34 | 118.4° | 120.0° |
| N4 | C6 | N3 | H4 | 0.0° | 174.3° |
| C6 | N4 | C7 | H33 | 165.5° | 60.0° |
| C6 | N4 | C7 | H34 | 75.5° | 60.0° |
| N4 | C6 | N3 | H3 | 180.0° | 5.7° |
| C6 | N3 | H4 | H3 | 180.0° | 180.0° |
| N3 | C6 | N4 | H35 | 1.0° | 180.0° |
| C8 | C9 | C10 | H29 | 121.7° | 120.0° |
| C8 | C9 | C10 | H30 | 121.7° | 120.0° |
| C8 | C9 | C10 | C25 | 88.0° | 175.0° |
| C8 | C9 | C10 | N5 | 153.2° | 65.0° |
| C8 | C9 | C10 | H16 | 35.0° | 55.0° |
| C8 | C9 | H29 | H30 | 114.5° | 120.0° |
| C9 | C8 | H31 | H32 | 119.1° | 120.0° |
| C9 | C8 | C7 | H33 | 54.7° | 60.0° |
| C9 | C8 | C7 | H34 | 173.6° | 60.0° |
| C9 | C10 | C25 | N5 | 113.8° | 120.0° |
| C9 | C10 | C25 | H16 | 123.2° | 120.0° |
| C9 | C10 | N5 | H16 | 117.3° | 120.1° |
| C9 | C10 | C25 | O3 | 139.6° | 100.0° |
| C9 | C10 | C25 | N6 | 40.3° | 80.0° |
| C9 | C10 | N5 | C11 | 177.1° | 60.0° |
| C9 | C10 | N5 | H17 | 2.9° | 120.1° |
| C10 | C9 | H29 | H30 | 114.5° | 120.0° |
| C10 | C9 | C8 | H31 | 11.1° | 60.0° |
| C10 | C9 | C8 | H32 | 130.5° | 60.0° |
| C25 | C10 | N5 | H16 | 122.0° | 120.0° |
| C10 | C25 | O3 | N6 | 180.0° | 180.0° |
| C10 | C25 | N6 | C26 | 180.0° | 180.0° |
| C25 | C10 | N5 | C11 | 62.2° | 60.0° |
| C10 | C25 | N6 | H8 | 0.0° | 0.1° |
| C25 | C10 | N5 | H17 | 117.8° | 120.0° |
| C25 | C10 | C9 | H29 | 150.3° | 55.0° |
| C25 | C10 | C9 | H30 | 33.7° | 65.0° |
| N5 | C10 | C25 | O3 | 106.6° | 20.0° |
| N5 | C10 | C25 | N6 | 73.5° | 160.0° |
| C10 | N5 | C11 | H17 | 180.0° | 180.0° |
| C10 | N5 | C11 | C12 | 2.8° | 180.0° |
| C10 | N5 | C11 | O2 | 176.9° | 0.0° |
| N5 | C10 | C9 | H29 | 31.5° | 175.0° |
| N5 | C10 | C9 | H30 | 85.2° | 55.0° |
| O3 | C25 | N6 | C26 | 0.0° | 0.0° |
| O3 | C25 | N6 | H8 | 180.0° | 179.9° |
| O3 | C25 | C10 | H16 | 16.4° | 140.0° |
| C25 | N6 | C26 | H8 | 180.0° | 179.9° |
| C25 | N6 | C26 | C27 | 147.7° | 180.0° |
| C25 | N6 | C26 | H9 | 91.6° | 60.1° |
| C25 | N6 | C26 | H10 | 27.0° | 60.0° |
| N6 | C25 | C10 | H16 | 163.6° | 40.0° |
| N6 | C26 | C27 | H9 | 120.7° | 120.0° |
| N6 | C26 | C27 | H10 | 120.7° | 120.1° |
| N6 | C26 | C27 | C28 | 122.0° | 90.3° |
| N6 | C26 | C27 | C32 | 57.6° | 90.0° |
| N6 | C26 | H9 | H10 | 117.8° | 120.1° |
| N5 | C11 | C12 | O2 | 179.6° | 180.0° |
| N5 | C11 | C12 | C13 | 137.3° | 180.0° |
| N5 | C11 | C12 | C19 | 95.6° | 60.0° |
| C11 | N5 | C10 | H16 | 59.8° | 180.0° |
| N5 | C11 | C12 | H18 | 20.6° | 60.0° |
| C26 | C27 | C28 | C32 | 179.6° | 179.7° |
| C26 | C27 | C28 | C29 | 179.1° | 179.7° |
| C26 | C27 | C32 | C31 | 179.2° | 180.0° |
| C27 | C26 | N6 | H8 | 32.3° | 0.1° |
| C27 | C26 | H9 | H10 | 117.8° | 120.0° |
| C26 | C27 | C32 | H11 | 0.8° | 0.1° |
| C26 | C27 | C28 | H15 | 0.9° | 0.0° |
| C15 | C14 | C13 | H28 | 180.0° | 179.3° |
| C15 | C14 | C13 | C12 | 170.6° | 179.8° |
| C14 | C15 | C16 | H27 | 180.0° | 179.8° |
| C15 | C14 | C13 | C18 | 2.8° | 0.6° |
| C14 | C15 | C16 | C17 | 0.6° | 0.2° |
| C14 | C15 | C16 | H26 | 179.4° | 179.7° |
| C14 | C13 | C12 | C11 | 138.4° | 53.9° |
| C14 | C13 | C12 | C18 | 173.2° | 179.6° |
| C14 | C13 | C12 | C19 | 91.7° | 66.1° |
| C13 | C14 | C15 | C16 | 1.4° | 0.6° |
| C14 | C13 | C18 | C17 | 2.1° | 0.4° |
| C14 | C13 | C12 | H18 | 22.0° | 173.9° |
| C14 | C13 | C18 | H24 | 177.8° | 179.7° |
| C13 | C14 | C15 | H27 | 178.6° | 179.6° |
| C11 | C12 | C13 | C19 | 129.9° | 120.0° |
| C11 | C12 | C13 | H18 | 116.4° | 119.9° |
| C11 | C12 | C19 | H18 | 116.0° | 120.0° |
| C11 | C12 | C13 | C18 | 48.4° | 126.4° |
| C11 | C12 | C19 | C24 | 144.2° | 52.6° |
| C11 | C12 | C19 | C20 | 33.9° | 127.8° |
| C12 | C11 | N5 | H17 | 177.2° | 0.1° |
| O2 | C11 | C12 | C13 | 42.3° | 0.0° |
| O2 | C11 | C12 | C19 | 84.8° | 120.0° |
| O2 | C11 | N5 | H17 | 3.1° | 179.9° |
| O2 | C11 | C12 | H18 | 159.0° | 120.0° |
| C13 | C12 | C19 | H18 | 113.9° | 120.0° |
| C13 | C12 | C19 | C24 | 85.7° | 67.5° |
| C13 | C12 | C19 | C20 | 96.2° | 112.2° |
| C12 | C13 | C18 | C17 | 170.9° | 180.0° |
| C12 | C13 | C18 | H24 | 9.1° | 0.1° |
| C12 | C13 | C14 | H28 | 9.4° | 0.4° |
| C19 | C12 | C13 | C18 | 81.5° | 113.5° |
| C12 | C19 | C24 | C20 | 178.1° | 179.7° |
| C12 | C19 | C24 | C23 | 177.0° | 180.0° |
| C12 | C19 | C20 | C21 | 176.7° | 179.8° |
| C12 | C19 | C24 | H19 | 2.9° | 0.1° |
| C12 | C19 | C20 | H23 | 3.3° | 0.0° |
| C27 | C28 | C29 | H15 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.2° | 0.6° |
| C28 | C27 | C32 | C31 | 0.5° | 0.3° |
| C28 | C27 | C26 | H9 | 1.3° | 149.7° |
| C28 | C27 | C26 | H10 | 117.3° | 29.7° |
| C28 | C27 | C32 | H11 | 179.5° | 179.6° |
| C27 | C28 | C29 | H14 | 179.8° | 179.7° |
| C29 | C28 | C27 | C32 | 0.5° | 0.6° |
| C28 | C29 | C30 | H14 | 180.0° | 179.7° |
| C28 | C29 | C30 | C31 | 0.2° | 0.3° |
| C28 | C29 | C30 | O4 | 179.9° | 179.7° |
| C27 | C32 | C31 | H11 | 180.0° | 179.9° |
| C27 | C32 | C31 | C30 | 0.1° | 0.0° |
| C32 | C27 | C26 | H9 | 178.3° | 30.0° |
| C32 | C27 | C26 | H10 | 63.1° | 150.0° |
| C27 | C32 | C31 | H12 | 179.9° | 180.0° |
| C32 | C27 | C28 | H15 | 179.4° | 179.7° |
| C15 | C16 | C17 | H26 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.3° | 0.0° |
| C15 | C16 | C17 | H25 | 178.7° | 180.0° |
| C16 | C15 | C14 | H28 | 178.6° | 179.9° |
| C13 | C18 | C17 | C16 | 0.1° | 0.0° |
| C13 | C18 | C17 | H24 | 180.0° | 179.9° |
| C18 | C13 | C12 | H18 | 164.8° | 6.5° |
| C13 | C18 | C17 | H25 | 179.9° | 180.0° |
| C18 | C13 | C14 | H28 | 177.2° | 180.0° |
| C19 | C24 | C23 | H19 | 180.0° | 179.9° |
| C19 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C19 | C20 | C21 | 1.4° | 0.5° |
| C24 | C19 | C12 | H18 | 28.2° | 172.5° |
| C19 | C24 | C23 | H20 | 179.8° | 179.9° |
| C24 | C19 | C20 | H23 | 178.6° | 179.7° |
| C23 | C24 | C19 | C20 | 1.1° | 0.3° |
| C24 | C23 | C22 | H20 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.5° | 0.0° |
| C24 | C23 | C22 | H21 | 179.5° | 180.0° |
| C19 | C20 | C21 | H23 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.8° | 0.4° |
| C20 | C19 | C12 | H18 | 149.9° | 7.8° |
| C20 | C19 | C24 | H19 | 178.9° | 179.8° |
| C19 | C20 | C21 | H22 | 179.2° | 179.8° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C29 | C30 | C31 | O4 | 179.9° | 180.0° |
| C29 | C30 | C31 | H12 | 179.7° | 179.9° |
| C29 | C30 | O4 | H13 | 180.0° | 90.0° |
| C30 | C29 | C28 | H15 | 179.8° | 179.7° |
| C16 | C17 | C18 | H25 | 180.0° | 180.0° |
| C16 | C17 | C18 | H24 | 179.9° | 180.0° |
| C17 | C16 | C15 | H27 | 179.4° | 180.0° |
| C32 | C31 | C30 | H12 | 180.0° | 180.0° |
| C32 | C31 | C30 | O4 | 179.8° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.2° |
| C23 | C22 | C21 | H21 | 180.0° | 180.0° |
| C22 | C23 | C24 | H19 | 179.9° | 180.0° |
| C23 | C22 | C21 | H22 | 179.9° | 180.0° |
| C18 | C17 | C16 | H26 | 178.7° | 180.0° |
| C20 | C21 | C22 | H22 | 180.0° | 179.8° |
| C20 | C21 | C22 | H21 | 179.8° | 179.8° |
| C30 | C31 | C32 | H11 | 179.9° | 179.9° |
| C31 | C30 | O4 | H13 | 0.1° | 90.0° |
| C31 | C30 | C29 | H14 | 179.8° | 180.0° |
| O4 | C30 | C31 | H12 | 0.2° | 0.0° |
| O4 | C30 | C29 | H14 | 0.1° | 0.0° |
| C21 | C22 | C23 | H20 | 179.5° | 180.0° |
| C22 | C21 | C20 | H23 | 179.2° | 179.7° |
| H1 | C1 | C | H39 | 59.3° | 60.0° |
| H1 | C1 | C | H40 | 179.3° | 180.0° |
| H1 | C1 | C | H41 | 60.7° | 60.0° |
| H2 | C1 | C | H39 | 59.3° | 60.0° |
| H2 | C1 | C | H40 | 60.7° | 60.0° |
| H2 | C1 | C | H41 | 179.3° | 180.0° |
| H5 | N1 | C4 | H36 | 19.7° | 120.0° |
| H5 | N1 | C4 | H37 | 138.2° | 119.9° |
| H6 | C3 | C4 | H36 | 68.4° | 180.0° |
| H6 | C3 | C4 | H37 | 173.1° | 60.0° |
| H6 | C3 | N | H38 | 176.8° | 119.9° |
| H7 | C3 | C4 | H36 | 51.3° | 60.0° |
| H7 | C3 | C4 | H37 | 67.3° | 180.0° |
| H7 | C3 | N | H38 | 57.1° | 120.1° |
| H8 | N6 | C26 | H9 | 88.4° | 120.0° |
| H8 | N6 | C26 | H10 | 153.0° | 119.9° |
| H11 | C32 | C31 | H12 | 0.1° | 0.1° |
| H14 | C29 | C28 | H15 | 0.2° | 0.0° |
| H16 | C10 | N5 | H17 | 120.2° | 0.0° |
| H16 | C10 | C9 | H29 | 86.7° | 65.0° |
| H16 | C10 | C9 | H30 | 156.7° | 175.0° |
| H19 | C24 | C23 | H20 | 0.1° | 0.0° |
| H20 | C23 | C22 | H21 | 0.5° | 0.0° |
| H21 | C22 | C21 | H22 | 0.1° | 0.0° |
| H22 | C21 | C20 | H23 | 0.8° | 0.1° |
| H24 | C18 | C17 | H25 | 0.1° | 0.0° |
| H25 | C17 | C16 | H26 | 1.3° | 0.0° |
| H26 | C16 | C15 | H27 | 0.6° | 0.1° |
| H27 | C15 | C14 | H28 | 1.4° | 0.3° |
| H29 | C9 | C8 | H31 | 110.6° | 179.9° |
| H29 | C9 | C8 | H32 | 8.8° | 60.0° |
| H30 | C9 | C8 | H31 | 132.8° | 60.0° |
| H30 | C9 | C8 | H32 | 107.8° | 180.0° |
| H31 | C8 | C7 | H33 | 175.0° | 180.0° |
| H31 | C8 | C7 | H34 | 66.0° | 60.1° |
| H32 | C8 | C7 | H33 | 65.6° | 60.0° |
| H32 | C8 | C7 | H34 | 53.3° | 180.0° |
| H33 | C7 | N4 | H35 | 14.5° | 120.0° |
| H34 | C7 | N4 | H35 | 104.5° | 120.0° |
| H39 | C | H40 | H41 | 120.0° | 120.0° |
