9QD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.51Å | 1.47Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C14 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | O2 | doub | 1.21Å | 1.21Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N1 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C16 | C2 | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.22Å | 1.25Å | |
| C30 | C29 | doub | 1.37Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C29 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C | C31 | sing | 1.47Å | 1.48Å | |
| C | N | sing | 1.35Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C31 | C18 | doub | 1.41Å | 1.49Å | Aromatic |
| C20 | N3 | sing | 1.40Å | 1.35Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.46Å | 1.45Å | |
| N3 | C21 | sing | 1.35Å | 1.33Å | |
| N | C17 | sing | 1.36Å | 1.35Å | |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | N2 | sing | 1.36Å | 1.35Å | |
| C21 | O3 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C23 | N4 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C17 | N2 | doub | 1.30Å | 1.34Å | |
| C24 | N4 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C28 | N4 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| N5 | C25 | sing | 1.47Å | 1.47Å | |
| N5 | C27 | sing | 1.47Å | 1.47Å | |
| N5 | C26 | sing | 1.47Å | 1.47Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.08Å | 1.08Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.08Å | 1.08Å | |
| O1 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 114.2° | 109.5° |
| C8 | C7 | C9 | 108.3° | 109.4° |
| C8 | C7 | H6 | 108.5° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.4° | 109.4° |
| C6 | C7 | C9 | 108.0° | 109.4° |
| C7 | C6 | C5 | 109.8° | 109.5° |
| C7 | C6 | H4 | 109.4° | 109.5° |
| C7 | C6 | H5 | 109.4° | 109.5° |
| C6 | C7 | H6 | 108.4° | 109.5° |
| C7 | C9 | C14 | 119.9° | 120.0° |
| C7 | C9 | C10 | 119.5° | 120.0° |
| C9 | C7 | H6 | 109.3° | 109.5° |
| C6 | C5 | O2 | 119.4° | 120.0° |
| C6 | C5 | N1 | 120.1° | 120.0° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C5 | C6 | H5 | 109.4° | 109.5° |
| C9 | C14 | C13 | 119.8° | 120.1° |
| C14 | C9 | C10 | 120.6° | 120.0° |
| C9 | C14 | H28 | 120.1° | 120.0° |
| C14 | C13 | C12 | 120.1° | 119.9° |
| C14 | C13 | H11 | 120.0° | 120.1° |
| C13 | C14 | H28 | 120.1° | 119.9° |
| C9 | C10 | C11 | 119.4° | 120.0° |
| C9 | C10 | H10 | 120.3° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C12 | C13 | H11 | 119.9° | 120.0° |
| C13 | C12 | H27 | 120.2° | 119.9° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.0° |
| C10 | C11 | H26 | 119.7° | 120.0° |
| O2 | C5 | N1 | 120.5° | 120.0° |
| C5 | N1 | C15 | 123.1° | 120.6° |
| C5 | N1 | C4 | 120.2° | 120.6° |
| C12 | C11 | H26 | 119.7° | 120.0° |
| C11 | C12 | H27 | 120.2° | 120.0° |
| N1 | C15 | C16 | 108.5° | 108.8° |
| C15 | N1 | C4 | 116.6° | 118.8° |
| N1 | C15 | H12 | 109.7° | 109.6° |
| N1 | C15 | H13 | 109.7° | 109.6° |
| C15 | C16 | C2 | 113.7° | 109.3° |
| C16 | C15 | H12 | 109.7° | 109.6° |
| C16 | C15 | H13 | 109.7° | 109.6° |
| C15 | C16 | H29 | 108.4° | 109.5° |
| C15 | C16 | H30 | 108.4° | 109.5° |
| N1 | C4 | C3 | 109.2° | 108.8° |
| N1 | C4 | H2 | 109.5° | 109.6° |
| N1 | C4 | H3 | 109.6° | 109.6° |
| C16 | C2 | C3 | 107.6° | 109.5° |
| C16 | C2 | O1 | 111.3° | 109.4° |
| C16 | C2 | C1 | 110.0° | 109.5° |
| C2 | C16 | H29 | 108.4° | 109.5° |
| C2 | C16 | H30 | 108.4° | 109.5° |
| O | C | C31 | 120.9° | 121.3° |
| O | C | N | 122.4° | 121.3° |
| C29 | C30 | C31 | 118.5° | 119.8° |
| C30 | C29 | C20 | 122.0° | 120.6° |
| C30 | C29 | H38 | 119.0° | 119.7° |
| C29 | C30 | H41 | 120.8° | 120.1° |
| C30 | C31 | C | 123.2° | 121.9° |
| C30 | C31 | C18 | 119.6° | 120.1° |
| C31 | C30 | H41 | 120.8° | 120.1° |
| C4 | C3 | C2 | 109.9° | 109.1° |
| C3 | C4 | H2 | 109.5° | 109.6° |
| C3 | C4 | H3 | 109.5° | 109.6° |
| C4 | C3 | H39 | 109.4° | 109.5° |
| C4 | C3 | H40 | 109.4° | 109.5° |
| C29 | C20 | N3 | 119.1° | 119.6° |
| C29 | C20 | C19 | 121.0° | 120.7° |
| C20 | C29 | H38 | 119.0° | 119.7° |
| C31 | C | N | 116.8° | 117.4° |
| C | C31 | C18 | 117.1° | 118.0° |
| C | N | C1 | 120.2° | 119.7° |
| C | N | C17 | 121.4° | 120.7° |
| C3 | C2 | O1 | 109.7° | 109.6° |
| C3 | C2 | C1 | 110.5° | 109.4° |
| C2 | C3 | H39 | 109.4° | 109.4° |
| C2 | C3 | H40 | 109.4° | 109.8° |
| O1 | C2 | C1 | 107.8° | 109.4° |
| C2 | O1 | H44 | 109.5° | 114.0° |
| C2 | C1 | N | 109.5° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C2 | C1 | H25 | 109.5° | 109.4° |
| C31 | C18 | C19 | 119.5° | 119.3° |
| C31 | C18 | N2 | 119.5° | 119.0° |
| N3 | C20 | C19 | 119.9° | 119.7° |
| C20 | N3 | C21 | 122.7° | 120.0° |
| C20 | N3 | H1 | 118.6° | 120.0° |
| C20 | C19 | C18 | 119.4° | 119.5° |
| C20 | C19 | H31 | 120.3° | 120.2° |
| C1 | N | C17 | 118.4° | 119.7° |
| N | C1 | H24 | 109.5° | 109.5° |
| N | C1 | H25 | 109.5° | 109.5° |
| N3 | C21 | O3 | 123.8° | 120.0° |
| N3 | C21 | C22 | 116.7° | 120.0° |
| C21 | N3 | H1 | 118.6° | 120.0° |
| N | C17 | N2 | 123.5° | 123.3° |
| N | C17 | H14 | 118.2° | 118.3° |
| C19 | C18 | N2 | 121.0° | 121.7° |
| C18 | C19 | H31 | 120.3° | 120.2° |
| C18 | N2 | C17 | 121.6° | 121.6° |
| O3 | C21 | C22 | 119.5° | 120.0° |
| C21 | C22 | C23 | 109.8° | 109.5° |
| C21 | C22 | H15 | 109.4° | 109.5° |
| C21 | C22 | H16 | 109.4° | 109.5° |
| N4 | C23 | C22 | 108.5° | 109.5° |
| C23 | N4 | C24 | 110.4° | 111.0° |
| C23 | N4 | C28 | 110.0° | 111.0° |
| N4 | C23 | H32 | 109.7° | 109.5° |
| N4 | C23 | H33 | 109.7° | 109.4° |
| C23 | C22 | H15 | 109.4° | 109.4° |
| C23 | C22 | H16 | 109.4° | 109.4° |
| C22 | C23 | H32 | 109.7° | 109.5° |
| C22 | C23 | H33 | 109.7° | 109.5° |
| N2 | C17 | H14 | 118.3° | 118.4° |
| N4 | C24 | C25 | 110.0° | 109.4° |
| C24 | N4 | C28 | 110.2° | 110.9° |
| N4 | C24 | H17 | 109.3° | 109.5° |
| N4 | C24 | H18 | 109.3° | 109.5° |
| C24 | C25 | N5 | 109.0° | 109.4° |
| C25 | C24 | H17 | 109.3° | 109.5° |
| C25 | C24 | H18 | 109.3° | 109.5° |
| C24 | C25 | H34 | 109.6° | 109.5° |
| C24 | C25 | H35 | 109.6° | 109.5° |
| N4 | C28 | C27 | 108.1° | 109.4° |
| N4 | C28 | H22 | 109.8° | 109.5° |
| N4 | C28 | H23 | 109.8° | 109.5° |
| C28 | C27 | N5 | 109.3° | 109.3° |
| C27 | C28 | H22 | 109.8° | 109.4° |
| C27 | C28 | H23 | 109.8° | 109.5° |
| C28 | C27 | H36 | 109.5° | 109.5° |
| C28 | C27 | H37 | 109.5° | 109.5° |
| C25 | N5 | C27 | 109.9° | 110.9° |
| C25 | N5 | C26 | 110.3° | 111.0° |
| N5 | C25 | H34 | 109.6° | 109.5° |
| N5 | C25 | H35 | 109.6° | 109.5° |
| C27 | N5 | C26 | 109.4° | 111.0° |
| N5 | C27 | H36 | 109.5° | 109.5° |
| N5 | C27 | H37 | 109.6° | 109.6° |
| N5 | C26 | H19 | 109.5° | 109.5° |
| N5 | C26 | H20 | 109.5° | 109.5° |
| N5 | C26 | H21 | 109.5° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.7° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H9 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.7° |
| H15 | C22 | H16 | 109.4° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.4° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.4° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H24 | C1 | H25 | 109.4° | 109.4° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.5° | 109.4° |
| H34 | C25 | H35 | 109.5° | 109.4° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H39 | C3 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | C9 | 120.5° | 120.0° |
| C8 | C7 | C6 | H6 | 121.2° | 120.1° |
| C8 | C7 | C9 | H6 | 118.1° | 120.0° |
| C8 | C7 | C6 | C5 | 174.6° | 65.0° |
| C8 | C7 | C9 | C14 | 50.5° | 120.0° |
| C8 | C7 | C9 | C10 | 130.7° | 60.0° |
| C8 | C7 | C6 | H4 | 65.3° | 55.0° |
| C8 | C7 | C6 | H5 | 54.6° | 174.9° |
| C7 | C8 | H7 | H8 | 120.0° | 120.1° |
| C7 | C8 | H7 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C6 | C7 | C9 | H6 | 117.8° | 120.0° |
| C7 | C6 | C5 | H4 | 120.0° | 120.0° |
| C7 | C6 | C5 | H5 | 120.1° | 120.0° |
| C6 | C7 | C9 | C14 | 73.7° | 120.0° |
| C6 | C7 | C9 | C10 | 105.1° | 60.0° |
| C7 | C6 | C5 | O2 | 60.6° | 0.0° |
| C7 | C6 | C5 | N1 | 119.1° | 180.0° |
| C7 | C6 | H4 | H5 | 119.9° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 59.9° |
| C6 | C7 | C8 | H8 | 60.0° | 180.0° |
| C6 | C7 | C8 | H9 | 60.0° | 60.0° |
| C9 | C7 | C6 | C5 | 64.9° | 175.0° |
| C7 | C9 | C14 | C10 | 178.8° | 180.0° |
| C7 | C9 | C14 | C13 | 179.1° | 179.4° |
| C7 | C9 | C10 | C11 | 179.8° | 180.0° |
| C9 | C7 | C6 | H4 | 55.2° | 65.0° |
| C9 | C7 | C6 | H5 | 175.1° | 55.0° |
| C9 | C7 | C8 | H7 | 59.6° | 60.0° |
| C9 | C7 | C8 | H8 | 179.6° | 60.0° |
| C9 | C7 | C8 | H9 | 60.3° | 180.0° |
| C7 | C9 | C10 | H10 | 0.2° | 0.3° |
| C7 | C9 | C14 | H28 | 0.9° | 0.0° |
| C6 | C5 | O2 | N1 | 179.7° | 180.0° |
| C6 | C5 | N1 | C15 | 14.9° | 0.3° |
| C6 | C5 | N1 | C4 | 168.6° | 180.0° |
| C5 | C6 | H4 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | H6 | 53.5° | 55.0° |
| C9 | C14 | C13 | H28 | 180.0° | 179.4° |
| C9 | C14 | C13 | C12 | 0.6° | 0.9° |
| C14 | C9 | C10 | C11 | 1.0° | 0.0° |
| C14 | C9 | C7 | H6 | 168.6° | 0.0° |
| C14 | C9 | C10 | H10 | 179.0° | 179.7° |
| C9 | C14 | C13 | H11 | 179.4° | 179.7° |
| C13 | C14 | C9 | C10 | 0.4° | 0.6° |
| C14 | C13 | C12 | H11 | 180.0° | 179.4° |
| C14 | C13 | C12 | C11 | 1.0° | 0.6° |
| C14 | C13 | C12 | H27 | 179.0° | 179.5° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.7° | 0.3° |
| C10 | C9 | C7 | H6 | 12.6° | 180.0° |
| C9 | C10 | C11 | H26 | 179.4° | 179.7° |
| C10 | C9 | C14 | H28 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | H27 | 180.0° | 180.0° |
| C13 | C12 | C11 | H26 | 179.7° | 180.0° |
| C12 | C13 | C14 | H28 | 179.4° | 179.7° |
| C10 | C11 | C12 | H26 | 180.0° | 179.9° |
| C10 | C11 | C12 | H27 | 179.7° | 179.9° |
| O2 | C5 | N1 | C15 | 165.4° | 179.7° |
| O2 | C5 | N1 | C4 | 11.1° | 0.0° |
| O2 | C5 | C6 | H4 | 179.4° | 120.0° |
| O2 | C5 | C6 | H5 | 59.5° | 120.0° |
| C5 | N1 | C15 | C4 | 176.6° | 179.8° |
| C5 | N1 | C15 | C16 | 130.6° | 126.7° |
| C5 | N1 | C4 | C3 | 126.2° | 126.4° |
| C5 | N1 | C4 | H2 | 113.9° | 113.8° |
| C5 | N1 | C4 | H3 | 6.2° | 6.6° |
| N1 | C5 | C6 | H4 | 0.9° | 60.0° |
| N1 | C5 | C6 | H5 | 120.8° | 60.0° |
| C5 | N1 | C15 | H12 | 10.7° | 6.8° |
| C5 | N1 | C15 | H13 | 109.5° | 113.6° |
| C12 | C11 | C10 | H10 | 179.3° | 180.0° |
| C11 | C12 | C13 | H11 | 179.0° | 180.0° |
| N1 | C15 | C16 | H12 | 119.9° | 119.9° |
| N1 | C15 | C16 | H13 | 119.8° | 119.8° |
| N1 | C15 | C16 | C2 | 52.4° | 54.6° |
| C15 | N1 | C4 | C3 | 57.1° | 53.8° |
| C15 | N1 | C4 | H2 | 62.8° | 66.0° |
| C15 | N1 | C4 | H3 | 177.1° | 173.6° |
| N1 | C15 | H12 | H13 | 120.4° | 120.3° |
| N1 | C15 | C16 | H29 | 68.3° | 65.4° |
| N1 | C15 | C16 | H30 | 173.0° | 174.6° |
| C16 | C15 | N1 | C4 | 52.8° | 53.5° |
| C15 | C16 | C2 | H29 | 120.6° | 119.9° |
| C15 | C16 | C2 | H30 | 120.6° | 120.0° |
| C15 | C16 | C2 | C3 | 57.1° | 61.4° |
| C15 | C16 | C2 | O1 | 63.1° | 58.7° |
| C15 | C16 | C2 | C1 | 177.5° | 178.6° |
| C16 | C15 | H12 | H13 | 120.5° | 120.3° |
| C15 | C16 | H29 | H30 | 118.0° | 120.0° |
| N1 | C4 | C3 | H2 | 119.9° | 119.7° |
| N1 | C4 | C3 | H3 | 120.0° | 119.8° |
| N1 | C4 | C3 | C2 | 58.8° | 54.9° |
| N1 | C4 | H2 | H3 | 120.2° | 120.3° |
| C4 | N1 | C15 | H12 | 172.6° | 173.4° |
| C4 | N1 | C15 | H13 | 67.1° | 66.2° |
| N1 | C4 | C3 | H39 | 178.8° | 174.6° |
| N1 | C4 | C3 | H40 | 61.3° | 65.4° |
| C16 | C2 | C3 | C4 | 59.0° | 61.6° |
| C16 | C2 | C3 | O1 | 121.2° | 120.0° |
| C16 | C2 | C3 | C1 | 120.0° | 120.0° |
| C16 | C2 | O1 | C1 | 120.7° | 119.9° |
| C16 | C2 | C1 | N | 69.5° | 175.0° |
| C2 | C16 | C15 | H12 | 172.2° | 174.4° |
| C2 | C16 | C15 | H13 | 67.5° | 65.2° |
| C16 | C2 | C1 | H24 | 170.5° | 64.9° |
| C16 | C2 | C1 | H25 | 50.5° | 55.0° |
| C2 | C16 | H29 | H30 | 118.1° | 120.1° |
| C16 | C2 | C3 | H39 | 179.1° | 178.7° |
| C16 | C2 | C3 | H40 | 61.0° | 58.4° |
| C16 | C2 | O1 | H44 | 180.0° | 180.0° |
| O | C | C31 | C30 | 0.3° | 0.0° |
| O | C | C31 | N | 179.8° | 180.0° |
| O | C | C31 | C18 | 179.6° | 180.0° |
| O | C | N | C1 | 0.0° | 0.0° |
| O | C | N | C17 | 179.4° | 180.0° |
| C29 | C30 | C31 | H41 | 180.0° | 180.0° |
| C30 | C29 | C20 | H38 | 180.0° | 179.9° |
| C29 | C30 | C31 | C | 179.6° | 180.0° |
| C29 | C30 | C31 | C18 | 0.3° | 0.0° |
| C30 | C29 | C20 | N3 | 179.7° | 180.0° |
| C30 | C29 | C20 | C19 | 0.8° | 0.1° |
| C31 | C30 | C29 | C20 | 0.7° | 0.1° |
| C30 | C31 | C | C18 | 179.9° | 180.0° |
| C30 | C31 | C | N | 179.9° | 180.0° |
| C30 | C31 | C18 | C19 | 0.1° | 0.0° |
| C30 | C31 | C18 | N2 | 179.6° | 180.0° |
| C31 | C30 | C29 | H38 | 179.2° | 180.0° |
| C4 | C3 | C2 | H39 | 120.0° | 119.8° |
| C4 | C3 | C2 | H40 | 120.1° | 120.0° |
| C4 | C3 | C2 | O1 | 62.2° | 58.4° |
| C4 | C3 | C2 | C1 | 179.1° | 178.5° |
| C3 | C4 | H2 | H3 | 120.1° | 120.4° |
| C4 | C3 | H39 | H40 | 119.8° | 120.0° |
| C29 | C20 | N3 | C19 | 179.5° | 180.0° |
| C29 | C20 | N3 | C21 | 170.9° | 144.8° |
| C29 | C20 | C19 | C18 | 0.5° | 0.1° |
| C29 | C20 | N3 | H1 | 9.1° | 35.3° |
| C29 | C20 | C19 | H31 | 179.5° | 179.9° |
| C20 | C29 | C30 | H41 | 179.3° | 180.0° |
| C31 | C | N | C1 | 179.8° | 180.0° |
| C31 | C | N | C17 | 0.5° | 0.0° |
| C | C31 | C18 | C19 | 180.0° | 179.9° |
| C | C31 | C18 | N2 | 0.3° | 0.0° |
| C | C31 | C30 | H41 | 0.4° | 0.0° |
| C | N | C1 | C2 | 96.5° | 90.1° |
| N | C | C31 | C18 | 0.2° | 0.0° |
| C | N | C1 | C17 | 179.4° | 180.0° |
| C | N | C17 | N2 | 0.3° | 0.0° |
| C | N | C17 | H14 | 179.8° | 179.8° |
| C | N | C1 | H24 | 143.5° | 30.0° |
| C | N | C1 | H25 | 23.6° | 150.0° |
| C3 | C2 | O1 | C1 | 120.3° | 120.0° |
| C3 | C2 | C1 | N | 171.9° | 55.1° |
| C2 | C3 | C4 | H2 | 61.2° | 64.9° |
| C2 | C3 | C4 | H3 | 178.7° | 174.7° |
| C3 | C2 | C1 | H24 | 51.9° | 175.1° |
| C3 | C2 | C1 | H25 | 68.1° | 65.0° |
| C3 | C2 | C16 | H29 | 63.5° | 58.5° |
| C3 | C2 | C16 | H30 | 177.7° | 178.6° |
| C2 | C3 | H39 | H40 | 119.9° | 120.5° |
| C3 | C2 | O1 | H44 | 61.0° | 60.0° |
| O1 | C2 | C1 | N | 52.0° | 65.1° |
| O1 | C2 | C1 | H24 | 68.0° | 55.0° |
| O1 | C2 | C1 | H25 | 172.1° | 174.9° |
| O1 | C2 | C16 | H29 | 176.3° | 178.6° |
| O1 | C2 | C16 | H30 | 57.5° | 61.3° |
| O1 | C2 | C3 | H39 | 57.8° | 61.3° |
| O1 | C2 | C3 | H40 | 177.7° | 178.4° |
| C2 | C1 | N | H24 | 120.0° | 120.0° |
| C2 | C1 | N | H25 | 120.0° | 120.0° |
| C2 | C1 | N | C17 | 84.2° | 90.0° |
| C2 | C1 | H24 | H25 | 120.0° | 119.9° |
| C1 | C2 | C16 | H29 | 56.8° | 61.5° |
| C1 | C2 | C16 | H30 | 61.9° | 58.6° |
| C1 | C2 | C3 | H39 | 60.9° | 58.7° |
| C1 | C2 | C3 | H40 | 59.0° | 61.5° |
| C1 | C2 | O1 | H44 | 59.3° | 60.0° |
| C31 | C18 | C19 | C20 | 0.0° | 0.1° |
| C31 | C18 | C19 | N2 | 179.7° | 179.9° |
| C31 | C18 | N2 | C17 | 0.6° | 0.1° |
| C31 | C18 | C19 | H31 | 180.0° | 180.0° |
| C18 | C31 | C30 | H41 | 179.7° | 180.0° |
| C20 | N3 | C21 | H1 | 180.0° | 179.9° |
| N3 | C20 | C19 | C18 | 179.9° | 180.0° |
| C20 | N3 | C21 | O3 | 41.7° | 4.5° |
| C20 | N3 | C21 | C22 | 140.4° | 175.5° |
| N3 | C20 | C19 | H31 | 0.1° | 0.0° |
| N3 | C20 | C29 | H38 | 0.4° | 0.0° |
| C19 | C20 | N3 | C21 | 9.6° | 35.2° |
| C20 | C19 | C18 | H31 | 180.0° | 180.0° |
| C20 | C19 | C18 | N2 | 179.7° | 180.0° |
| C19 | C20 | N3 | H1 | 170.4° | 144.8° |
| C19 | C20 | C29 | H38 | 179.1° | 180.0° |
| C1 | N | C17 | N2 | 179.6° | 180.0° |
| C1 | N | C17 | H14 | 0.4° | 0.2° |
| N | C1 | H24 | H25 | 120.0° | 120.1° |
| N3 | C21 | O3 | C22 | 177.8° | 180.0° |
| N3 | C21 | C22 | C23 | 86.2° | 180.0° |
| N3 | C21 | C22 | H15 | 153.7° | 60.0° |
| N3 | C21 | C22 | H16 | 33.8° | 60.0° |
| N | C17 | N2 | C18 | 0.3° | 0.0° |
| N | C17 | N2 | H14 | 180.0° | 179.8° |
| C17 | N | C1 | H24 | 35.9° | 150.0° |
| C17 | N | C1 | H25 | 155.8° | 30.0° |
| C19 | C18 | N2 | C17 | 179.8° | 180.0° |
| C18 | N2 | C17 | H14 | 179.7° | 179.8° |
| N2 | C18 | C19 | H31 | 0.3° | 0.1° |
| O3 | C21 | C22 | C23 | 91.7° | 0.0° |
| O3 | C21 | N3 | H1 | 138.2° | 175.4° |
| O3 | C21 | C22 | H15 | 28.4° | 120.0° |
| O3 | C21 | C22 | H16 | 148.2° | 120.0° |
| C21 | C22 | C23 | N4 | 177.2° | 180.0° |
| C21 | C22 | C23 | H15 | 120.1° | 120.0° |
| C21 | C22 | C23 | H16 | 120.1° | 120.0° |
| C22 | C21 | N3 | H1 | 39.6° | 4.6° |
| C21 | C22 | H15 | H16 | 119.8° | 120.1° |
| C21 | C22 | C23 | H32 | 62.9° | 60.0° |
| C21 | C22 | C23 | H33 | 57.4° | 60.0° |
| N4 | C23 | C22 | H32 | 119.9° | 120.1° |
| N4 | C23 | C22 | H33 | 119.8° | 120.0° |
| C23 | N4 | C24 | C28 | 121.7° | 123.9° |
| C23 | N4 | C24 | C25 | 178.7° | 176.8° |
| C23 | N4 | C28 | C27 | 177.6° | 176.8° |
| N4 | C23 | C22 | H15 | 62.7° | 60.0° |
| N4 | C23 | C22 | H16 | 57.2° | 60.0° |
| C23 | N4 | C24 | H17 | 58.6° | 63.2° |
| C23 | N4 | C24 | H18 | 61.2° | 56.8° |
| C23 | N4 | C28 | H22 | 62.6° | 56.9° |
| C23 | N4 | C28 | H23 | 57.8° | 63.2° |
| N4 | C23 | H32 | H33 | 120.4° | 120.0° |
| C22 | C23 | N4 | C24 | 96.7° | 170.0° |
| C22 | C23 | N4 | C28 | 141.5° | 66.2° |
| C23 | C22 | H15 | H16 | 119.8° | 119.9° |
| C22 | C23 | H32 | H33 | 120.4° | 120.0° |
| N4 | C24 | C25 | H17 | 120.1° | 120.0° |
| N4 | C24 | C25 | H18 | 120.1° | 120.0° |
| C24 | N4 | C28 | C27 | 60.4° | 59.3° |
| N4 | C24 | C25 | N5 | 58.2° | 58.4° |
| N4 | C24 | H17 | H18 | 119.8° | 120.1° |
| C24 | N4 | C28 | H22 | 59.4° | 179.2° |
| C24 | N4 | C28 | H23 | 179.8° | 60.7° |
| C24 | N4 | C23 | H32 | 143.4° | 49.9° |
| C24 | N4 | C23 | H33 | 23.2° | 70.0° |
| N4 | C24 | C25 | H34 | 61.7° | 61.6° |
| N4 | C24 | C25 | H35 | 178.1° | 178.4° |
| C25 | C24 | N4 | C28 | 59.6° | 59.3° |
| C24 | C25 | N5 | H34 | 119.9° | 120.0° |
| C24 | C25 | N5 | H35 | 119.9° | 120.0° |
| C24 | C25 | N5 | C27 | 59.6° | 59.3° |
| C24 | C25 | N5 | C26 | 179.8° | 176.8° |
| C25 | C24 | H17 | H18 | 119.7° | 120.0° |
| C24 | C25 | H34 | H35 | 120.2° | 120.0° |
| N4 | C28 | C27 | H22 | 119.8° | 119.9° |
| N4 | C28 | C27 | H23 | 119.8° | 120.0° |
| N4 | C28 | C27 | N5 | 61.3° | 58.5° |
| C28 | N4 | C24 | H17 | 179.6° | 60.6° |
| C28 | N4 | C24 | H18 | 60.5° | 179.3° |
| N4 | C28 | H22 | H23 | 120.6° | 120.1° |
| C28 | N4 | C23 | H32 | 21.6° | 173.7° |
| C28 | N4 | C23 | H33 | 98.7° | 53.8° |
| N4 | C28 | C27 | H36 | 178.8° | 178.4° |
| N4 | C28 | C27 | H37 | 58.7° | 61.6° |
| C28 | C27 | N5 | C25 | 61.8° | 59.4° |
| C28 | C27 | N5 | H36 | 119.9° | 119.9° |
| C28 | C27 | N5 | H37 | 120.0° | 120.0° |
| C28 | C27 | N5 | C26 | 177.0° | 176.8° |
| C27 | C28 | H22 | H23 | 120.6° | 120.1° |
| C28 | C27 | H36 | H37 | 120.1° | 120.0° |
| C25 | N5 | C27 | C26 | 121.2° | 123.9° |
| N5 | C25 | C24 | H17 | 178.3° | 61.6° |
| N5 | C25 | C24 | H18 | 61.9° | 178.4° |
| C25 | N5 | C26 | H19 | 180.0° | 60.0° |
| C25 | N5 | C26 | H20 | 60.0° | 180.0° |
| C25 | N5 | C26 | H21 | 60.0° | 60.0° |
| N5 | C25 | H34 | H35 | 120.2° | 120.1° |
| C25 | N5 | C27 | H36 | 178.3° | 179.3° |
| C25 | N5 | C27 | H37 | 58.2° | 60.6° |
| C27 | N5 | C26 | H19 | 59.1° | 176.2° |
| C27 | N5 | C26 | H20 | 60.9° | 56.2° |
| C27 | N5 | C26 | H21 | 179.1° | 63.8° |
| N5 | C27 | C28 | H22 | 58.5° | 178.3° |
| N5 | C27 | C28 | H23 | 178.9° | 61.6° |
| C27 | N5 | C25 | H34 | 60.3° | 60.7° |
| C27 | N5 | C25 | H35 | 179.5° | 179.3° |
| N5 | C27 | H36 | H37 | 120.1° | 120.1° |
| N5 | C26 | H19 | H20 | 120.0° | 120.0° |
| N5 | C26 | H19 | H21 | 120.0° | 120.0° |
| N5 | C26 | H20 | H21 | 120.0° | 120.0° |
| C26 | N5 | C25 | H34 | 60.3° | 63.2° |
| C26 | N5 | C25 | H35 | 59.8° | 56.8° |
| C26 | N5 | C27 | H36 | 57.1° | 56.9° |
| C26 | N5 | C27 | H37 | 63.0° | 63.2° |
| H2 | C4 | C3 | H39 | 58.9° | 54.9° |
| H2 | C4 | C3 | H40 | 178.7° | 174.9° |
| H3 | C4 | C3 | H39 | 61.2° | 65.6° |
| H3 | C4 | C3 | H40 | 58.7° | 54.5° |
| H4 | C6 | C7 | H6 | 173.5° | 175.0° |
| H5 | C6 | C7 | H6 | 66.6° | 65.0° |
| H6 | C7 | C8 | H7 | 58.9° | 179.9° |
| H6 | C7 | C8 | H8 | 61.1° | 60.0° |
| H6 | C7 | C8 | H9 | 178.9° | 60.0° |
| H7 | C8 | H8 | H9 | 120.0° | 119.9° |
| H10 | C10 | C11 | H26 | 0.7° | 0.0° |
| H11 | C13 | C12 | H27 | 1.0° | 0.1° |
| H11 | C13 | C14 | H28 | 0.6° | 0.3° |
| H12 | C15 | C16 | H29 | 51.6° | 54.5° |
| H12 | C15 | C16 | H30 | 67.2° | 65.6° |
| H13 | C15 | C16 | H29 | 171.9° | 174.9° |
| H13 | C15 | C16 | H30 | 53.2° | 54.8° |
| H15 | C22 | C23 | H32 | 57.2° | 180.0° |
| H15 | C22 | C23 | H33 | 177.4° | 60.0° |
| H16 | C22 | C23 | H32 | 177.0° | 60.1° |
| H16 | C22 | C23 | H33 | 62.7° | 180.0° |
| H17 | C24 | C25 | H34 | 58.4° | 178.4° |
| H17 | C24 | C25 | H35 | 61.8° | 58.4° |
| H18 | C24 | C25 | H34 | 178.2° | 58.4° |
| H18 | C24 | C25 | H35 | 58.1° | 61.6° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
| H22 | C28 | C27 | H36 | 61.4° | 61.7° |
| H22 | C28 | C27 | H37 | 178.5° | 58.3° |
| H23 | C28 | C27 | H36 | 59.0° | 58.3° |
| H23 | C28 | C27 | H37 | 61.1° | 178.4° |
| H26 | C11 | C12 | H27 | 0.3° | 0.0° |
| H38 | C29 | C30 | H41 | 0.8° | 0.0° |
