PRD_002255
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C22 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| C21 | C23 | sing | 1.41Å | 1.44Å | Aromatic |
| C29 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C23 | C31 | doub | 1.40Å | 1.42Å | Aromatic |
| C23 | C25 | sing | 1.42Å | 1.40Å | Aromatic |
| C28 | C25 | sing | 1.40Å | 1.45Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.54Å | |
| C31 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.41Å | 1.42Å | Aromatic |
| C27 | N4 | sing | 1.46Å | 1.50Å | |
| N4 | C19 | sing | 1.35Å | 1.40Å | |
| C30 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.36Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C19 | O4 | doub | 1.21Å | 1.24Å | |
| C18 | C20 | sing | 1.53Å | 1.50Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| O2 | C10 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| N3 | C10 | sing | 1.35Å | 1.40Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | N1 | sing | 1.47Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C11 | N2 | sing | 1.47Å | 1.43Å | |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.35Å | 1.39Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| N1 | C13 | sing | 1.35Å | 1.44Å | |
| N1 | C16 | sing | 1.47Å | 1.47Å | |
| C13 | O3 | doub | 1.21Å | 1.24Å | |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C31 | H37 | sing | 1.08Å | 1.08Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H38 | sing | 0.97Å | 1.00Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C29 | 119.8° | 121.0° |
| C22 | C21 | C23 | 120.5° | 119.7° |
| C21 | C22 | H30 | 120.1° | 119.4° |
| C22 | C21 | H29 | 119.7° | 120.2° |
| C22 | C29 | C28 | 121.1° | 121.0° |
| C29 | C22 | H30 | 120.0° | 119.5° |
| C22 | C29 | H35 | 119.5° | 119.5° |
| C21 | C23 | C31 | 121.1° | 121.3° |
| C21 | C23 | C25 | 119.2° | 119.3° |
| C23 | C21 | H29 | 119.7° | 120.1° |
| C29 | C28 | C25 | 118.8° | 119.7° |
| C29 | C28 | C27 | 119.9° | 120.1° |
| C28 | C29 | H35 | 119.5° | 119.5° |
| C31 | C23 | C25 | 119.7° | 119.4° |
| C23 | C31 | C30 | 122.4° | 119.7° |
| C23 | C31 | H37 | 118.9° | 120.1° |
| C23 | C25 | C28 | 120.5° | 119.4° |
| C23 | C25 | C24 | 116.8° | 119.3° |
| C25 | C28 | C27 | 121.3° | 120.2° |
| C28 | C25 | C24 | 122.7° | 121.3° |
| C28 | C27 | N4 | 117.9° | 109.5° |
| C28 | C27 | H33 | 107.4° | 109.4° |
| C28 | C27 | H34 | 107.3° | 109.5° |
| C31 | C30 | C26 | 118.6° | 120.9° |
| C31 | C30 | H36 | 120.7° | 119.5° |
| C30 | C31 | H37 | 118.8° | 120.2° |
| C25 | C24 | C26 | 123.5° | 119.7° |
| C25 | C24 | H31 | 118.2° | 120.2° |
| C27 | N4 | C19 | 123.4° | 120.0° |
| C27 | N4 | H38 | 118.3° | 120.0° |
| N4 | C27 | H33 | 107.3° | 109.5° |
| N4 | C27 | H34 | 107.3° | 109.5° |
| N4 | C19 | C18 | 123.1° | 120.0° |
| N4 | C19 | O4 | 119.9° | 120.0° |
| C19 | N4 | H38 | 118.3° | 120.0° |
| C30 | C26 | C24 | 119.1° | 121.0° |
| C30 | C26 | H32 | 120.5° | 119.5° |
| C26 | C30 | H36 | 120.7° | 119.5° |
| C26 | C24 | H31 | 118.3° | 120.1° |
| C24 | C26 | H32 | 120.5° | 119.5° |
| C18 | C19 | O4 | 116.9° | 120.0° |
| C19 | C18 | C20 | 109.7° | 109.5° |
| C19 | C18 | N3 | 108.1° | 109.5° |
| C19 | C18 | H25 | 109.4° | 109.5° |
| C20 | C18 | N3 | 109.0° | 109.4° |
| C20 | C18 | H25 | 109.9° | 109.5° |
| C18 | C20 | H26 | 109.5° | 109.5° |
| C18 | C20 | H27 | 109.5° | 109.4° |
| C18 | C20 | H28 | 109.4° | 109.5° |
| C18 | N3 | C10 | 122.1° | 120.0° |
| C18 | N3 | H24 | 118.9° | 120.0° |
| N3 | C18 | H25 | 110.7° | 109.5° |
| O2 | C10 | N3 | 120.1° | 119.9° |
| O2 | C10 | C11 | 119.6° | 120.0° |
| C15 | C14 | N1 | 113.6° | 109.4° |
| C15 | C14 | H13 | 108.4° | 109.5° |
| C15 | C14 | H14 | 108.4° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.4° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| N3 | C10 | C11 | 120.3° | 120.0° |
| C10 | N3 | H24 | 119.0° | 120.0° |
| C10 | C11 | C12 | 105.2° | 109.5° |
| C10 | C11 | N2 | 108.1° | 109.5° |
| C10 | C11 | H10 | 110.5° | 109.5° |
| C6 | C5 | C4 | 120.9° | 120.0° |
| C5 | C6 | C7 | 120.6° | 120.0° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| C5 | C4 | C3 | 123.1° | 120.0° |
| C5 | C4 | C9 | 118.0° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C6 | C7 | C8 | 118.9° | 120.0° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C6 | C7 | H7 | 120.5° | 120.0° |
| C14 | N1 | C13 | 122.5° | 120.0° |
| C14 | N1 | C16 | 118.0° | 120.0° |
| N1 | C14 | H13 | 108.4° | 109.5° |
| N1 | C14 | H14 | 108.4° | 109.5° |
| C11 | C12 | C13 | 120.8° | 109.5° |
| C12 | C11 | N2 | 110.3° | 109.5° |
| C12 | C11 | H10 | 110.2° | 109.4° |
| C11 | C12 | H11 | 106.6° | 109.5° |
| C11 | C12 | H12 | 106.6° | 109.5° |
| C12 | C13 | N1 | 120.3° | 120.0° |
| C12 | C13 | O3 | 119.7° | 120.0° |
| C13 | C12 | H11 | 106.6° | 109.4° |
| C13 | C12 | H12 | 106.6° | 109.5° |
| C4 | C3 | C2 | 116.6° | 109.5° |
| C3 | C4 | C9 | 118.9° | 120.0° |
| C4 | C3 | H4 | 107.6° | 109.5° |
| C4 | C3 | H3 | 107.6° | 109.5° |
| C3 | C2 | C1 | 114.7° | 109.5° |
| C3 | C2 | H1 | 108.1° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.4° |
| C2 | C3 | H4 | 107.7° | 109.4° |
| C2 | C3 | H3 | 107.7° | 109.5° |
| C11 | N2 | C1 | 122.2° | 120.0° |
| N2 | C11 | H10 | 112.3° | 109.5° |
| C11 | N2 | H23 | 119.0° | 120.0° |
| C4 | C9 | C8 | 121.9° | 120.1° |
| C4 | C9 | H9 | 119.1° | 120.0° |
| N2 | C1 | O1 | 117.6° | 120.0° |
| N2 | C1 | C2 | 121.7° | 120.0° |
| C1 | N2 | H23 | 118.9° | 120.0° |
| C7 | C8 | C9 | 119.7° | 119.9° |
| C8 | C7 | H7 | 120.6° | 120.0° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| O1 | C1 | C2 | 120.7° | 120.0° |
| C1 | C2 | H1 | 108.2° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| C13 | N1 | C16 | 119.5° | 120.0° |
| N1 | C13 | O3 | 120.1° | 120.0° |
| N1 | C16 | C17 | 114.0° | 109.5° |
| N1 | C16 | H18 | 108.3° | 109.5° |
| N1 | C16 | H19 | 108.3° | 109.5° |
| C9 | C8 | H8 | 120.1° | 120.1° |
| C8 | C9 | H9 | 119.0° | 120.0° |
| C17 | C16 | H18 | 108.4° | 109.5° |
| C17 | C16 | H19 | 108.3° | 109.5° |
| C16 | C17 | H20 | 109.4° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.4° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.4° | 109.4° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H20 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.6° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H4 | C3 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C29 | H30 | 180.0° | 179.9° |
| C22 | C21 | C23 | H29 | 180.0° | 179.6° |
| C21 | C22 | C29 | C28 | 0.1° | 0.4° |
| C22 | C21 | C23 | C31 | 180.0° | 179.7° |
| C22 | C21 | C23 | C25 | 0.1° | 0.4° |
| C21 | C22 | C29 | H35 | 180.0° | 180.0° |
| C29 | C22 | C21 | C23 | 0.0° | 0.1° |
| C22 | C29 | C28 | H35 | 179.9° | 179.5° |
| C22 | C29 | C28 | C25 | 0.1° | 0.7° |
| C22 | C29 | C28 | C27 | 179.2° | 179.7° |
| C29 | C22 | C21 | H29 | 179.9° | 179.7° |
| C21 | C23 | C31 | C25 | 179.8° | 180.0° |
| C21 | C23 | C25 | C28 | 0.3° | 0.1° |
| C21 | C23 | C31 | C30 | 179.9° | 180.0° |
| C21 | C23 | C25 | C24 | 179.6° | 180.0° |
| C23 | C21 | C22 | H30 | 180.0° | 179.9° |
| C21 | C23 | C31 | H37 | 0.1° | 0.0° |
| C29 | C28 | C25 | C23 | 0.2° | 0.5° |
| C29 | C28 | C25 | C27 | 179.2° | 179.5° |
| C29 | C28 | C25 | C24 | 179.7° | 179.5° |
| C29 | C28 | C27 | N4 | 103.7° | 100.5° |
| C28 | C29 | C22 | H30 | 179.9° | 179.5° |
| C29 | C28 | C27 | H33 | 135.1° | 139.6° |
| C29 | C28 | C27 | H34 | 17.4° | 19.5° |
| C31 | C23 | C25 | C28 | 179.9° | 180.0° |
| C23 | C31 | C30 | H37 | 180.0° | 180.0° |
| C31 | C23 | C25 | C24 | 0.2° | 0.0° |
| C23 | C31 | C30 | C26 | 0.4° | 0.1° |
| C31 | C23 | C21 | H29 | 0.1° | 0.1° |
| C23 | C31 | C30 | H36 | 179.7° | 180.0° |
| C23 | C25 | C28 | C24 | 179.9° | 180.0° |
| C23 | C25 | C28 | C27 | 179.4° | 180.0° |
| C25 | C23 | C31 | C30 | 0.1° | 0.0° |
| C23 | C25 | C24 | C26 | 0.1° | 0.0° |
| C25 | C23 | C21 | H29 | 179.9° | 179.9° |
| C23 | C25 | C24 | H31 | 179.8° | 180.0° |
| C25 | C23 | C31 | H37 | 179.9° | 180.0° |
| C25 | C28 | C27 | N4 | 77.1° | 79.9° |
| C28 | C25 | C24 | C26 | 179.9° | 180.0° |
| C28 | C25 | C24 | H31 | 0.1° | 0.1° |
| C25 | C28 | C27 | H33 | 44.0° | 40.0° |
| C25 | C28 | C27 | H34 | 161.7° | 160.0° |
| C25 | C28 | C29 | H35 | 179.9° | 179.7° |
| C27 | C28 | C25 | C24 | 0.5° | 0.1° |
| C28 | C27 | N4 | H33 | 121.2° | 119.9° |
| C28 | C27 | N4 | H34 | 121.2° | 120.0° |
| C28 | C27 | N4 | C19 | 106.1° | 179.9° |
| C28 | C27 | N4 | H38 | 74.0° | 0.0° |
| C28 | C27 | H33 | H34 | 116.2° | 120.0° |
| C27 | C28 | C29 | H35 | 0.7° | 0.2° |
| C31 | C30 | C26 | H36 | 179.9° | 179.9° |
| C31 | C30 | C26 | C24 | 0.4° | 0.1° |
| C31 | C30 | C26 | H32 | 179.5° | 179.9° |
| C25 | C24 | C26 | C30 | 0.2° | 0.0° |
| C25 | C24 | C26 | H31 | 180.0° | 180.0° |
| C25 | C24 | C26 | H32 | 179.8° | 179.9° |
| C27 | N4 | C19 | H38 | 179.9° | 180.0° |
| C27 | N4 | C19 | C18 | 179.9° | 180.0° |
| C27 | N4 | C19 | O4 | 0.9° | 0.0° |
| N4 | C27 | H33 | H34 | 116.2° | 120.0° |
| N4 | C19 | C18 | O4 | 179.2° | 179.9° |
| N4 | C19 | C18 | C20 | 87.0° | 60.1° |
| N4 | C19 | C18 | N3 | 154.3° | 180.0° |
| N4 | C19 | C18 | H25 | 33.7° | 59.9° |
| C19 | N4 | C27 | H33 | 15.1° | 60.0° |
| C19 | N4 | C27 | H34 | 132.8° | 60.0° |
| C30 | C26 | C24 | H32 | 179.9° | 180.0° |
| C30 | C26 | C24 | H31 | 179.8° | 180.0° |
| C26 | C30 | C31 | H37 | 179.6° | 179.9° |
| C24 | C26 | C30 | H36 | 179.6° | 180.0° |
| C19 | C18 | C20 | N3 | 118.2° | 120.0° |
| C19 | C18 | C20 | H25 | 120.3° | 120.1° |
| C19 | C18 | N3 | H25 | 119.8° | 120.1° |
| C19 | C18 | N3 | C10 | 103.2° | 155.1° |
| C19 | C18 | N3 | H24 | 76.8° | 25.0° |
| C18 | C19 | N4 | H38 | 0.0° | 0.1° |
| C19 | C18 | C20 | H26 | 180.0° | 59.9° |
| C19 | C18 | C20 | H27 | 60.0° | 60.1° |
| C19 | C18 | C20 | H28 | 60.0° | 180.0° |
| O4 | C19 | C18 | C20 | 93.8° | 120.0° |
| O4 | C19 | C18 | N3 | 24.9° | 0.0° |
| O4 | C19 | C18 | H25 | 145.5° | 120.0° |
| O4 | C19 | N4 | H38 | 179.2° | 180.0° |
| C20 | C18 | N3 | H25 | 121.0° | 120.0° |
| C20 | C18 | N3 | C10 | 137.6° | 85.0° |
| C20 | C18 | N3 | H24 | 42.4° | 95.0° |
| C18 | C20 | H26 | H27 | 120.1° | 120.0° |
| C18 | C20 | H26 | H28 | 120.0° | 120.0° |
| C18 | C20 | H27 | H28 | 120.0° | 119.9° |
| C18 | N3 | C10 | O2 | 1.1° | 0.1° |
| C18 | N3 | C10 | H24 | 179.9° | 179.9° |
| C18 | N3 | C10 | C11 | 178.5° | 180.0° |
| N3 | C18 | C20 | H26 | 61.9° | 60.0° |
| N3 | C18 | C20 | H27 | 58.2° | 180.0° |
| N3 | C18 | C20 | H28 | 178.1° | 60.0° |
| O2 | C10 | N3 | C11 | 179.6° | 179.9° |
| O2 | C10 | C11 | C12 | 77.8° | 120.0° |
| O2 | C10 | C11 | N2 | 40.1° | 0.0° |
| O2 | C10 | N3 | H24 | 178.8° | 180.0° |
| O2 | C10 | C11 | H10 | 163.3° | 120.1° |
| C15 | C14 | N1 | H13 | 120.6° | 120.0° |
| C15 | C14 | N1 | H14 | 120.6° | 120.0° |
| C15 | C14 | N1 | C13 | 85.0° | 90.0° |
| C15 | C14 | N1 | C16 | 94.5° | 90.1° |
| C15 | C14 | H13 | H14 | 118.1° | 120.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| N3 | C10 | C11 | C12 | 101.8° | 59.9° |
| N3 | C10 | C11 | N2 | 140.3° | 180.0° |
| C10 | N3 | C18 | H25 | 16.5° | 35.0° |
| N3 | C10 | C11 | H10 | 17.1° | 60.0° |
| C10 | C11 | C12 | N2 | 116.3° | 120.0° |
| C10 | C11 | C12 | H10 | 119.1° | 120.0° |
| C10 | C11 | C12 | C13 | 166.9° | 174.4° |
| C10 | C11 | N2 | H10 | 122.1° | 120.0° |
| C10 | C11 | N2 | C1 | 67.8° | 81.6° |
| C11 | C10 | N3 | H24 | 1.6° | 0.1° |
| C10 | C11 | C12 | H11 | 71.4° | 65.7° |
| C10 | C11 | C12 | H12 | 45.4° | 54.4° |
| C10 | C11 | N2 | H23 | 112.1° | 98.3° |
| C6 | C5 | C4 | H5 | 179.9° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 0.1° | 0.3° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C3 | C9 | 179.9° | 179.7° |
| C5 | C4 | C3 | C2 | 90.0° | 89.6° |
| C5 | C4 | C9 | C8 | 0.3° | 0.6° |
| C5 | C4 | C3 | H4 | 31.1° | 30.3° |
| C5 | C4 | C3 | H3 | 148.9° | 150.3° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C4 | C9 | H9 | 179.8° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.2° |
| C7 | C6 | C5 | H5 | 179.8° | 180.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C14 | N1 | C13 | C12 | 0.2° | 0.1° |
| C14 | N1 | C13 | C16 | 179.4° | 179.9° |
| C14 | N1 | C13 | O3 | 179.8° | 180.0° |
| C14 | N1 | C16 | C17 | 107.2° | 90.0° |
| C14 | N1 | C16 | H18 | 13.5° | 30.0° |
| C14 | N1 | C16 | H19 | 132.1° | 150.0° |
| N1 | C14 | H13 | H14 | 118.2° | 120.0° |
| N1 | C14 | C15 | H15 | 180.0° | 180.0° |
| N1 | C14 | C15 | H16 | 60.0° | 60.0° |
| N1 | C14 | C15 | H17 | 60.0° | 60.1° |
| C11 | C12 | C13 | H11 | 121.6° | 120.0° |
| C11 | C12 | C13 | H12 | 121.6° | 120.0° |
| C12 | C11 | N2 | H10 | 123.4° | 120.0° |
| C12 | C11 | N2 | C1 | 177.7° | 158.4° |
| C11 | C12 | C13 | N1 | 142.4° | 174.8° |
| C11 | C12 | C13 | O3 | 37.2° | 5.3° |
| C11 | C12 | H11 | H12 | 114.9° | 120.0° |
| C12 | C11 | N2 | H23 | 2.4° | 21.7° |
| C13 | C12 | C11 | N2 | 76.8° | 65.6° |
| C12 | C13 | N1 | O3 | 179.5° | 180.0° |
| C12 | C13 | N1 | C16 | 179.6° | 180.0° |
| C13 | C12 | C11 | H10 | 47.8° | 54.4° |
| C13 | C12 | H11 | H12 | 114.9° | 120.0° |
| C4 | C3 | C2 | H4 | 121.0° | 120.0° |
| C4 | C3 | C2 | H3 | 121.0° | 120.1° |
| C4 | C3 | C2 | C1 | 177.1° | 180.0° |
| C3 | C4 | C9 | C8 | 179.8° | 179.8° |
| C4 | C3 | C2 | H1 | 62.1° | 60.0° |
| C4 | C3 | C2 | H2 | 56.4° | 60.0° |
| C4 | C3 | H4 | H3 | 116.7° | 120.0° |
| C3 | C4 | C5 | H5 | 0.1° | 0.1° |
| C3 | C4 | C9 | H9 | 0.1° | 0.1° |
| C2 | C3 | C4 | C9 | 89.9° | 90.0° |
| C3 | C2 | C1 | N2 | 137.7° | 179.8° |
| C3 | C2 | C1 | O1 | 42.1° | 0.0° |
| C3 | C2 | C1 | H1 | 120.8° | 120.0° |
| C3 | C2 | C1 | H2 | 120.8° | 119.9° |
| C3 | C2 | H1 | H2 | 117.6° | 120.0° |
| C2 | C3 | H4 | H3 | 116.8° | 120.0° |
| C11 | N2 | C1 | H23 | 179.9° | 180.0° |
| C11 | N2 | C1 | O1 | 0.0° | 4.9° |
| C11 | N2 | C1 | C2 | 179.8° | 174.8° |
| N2 | C11 | C12 | H11 | 44.9° | 54.3° |
| N2 | C11 | C12 | H12 | 161.7° | 174.4° |
| C4 | C9 | C8 | C7 | 0.3° | 0.5° |
| C4 | C9 | C8 | H9 | 179.9° | 179.7° |
| C9 | C4 | C3 | H4 | 149.0° | 150.1° |
| C9 | C4 | C3 | H3 | 31.2° | 30.1° |
| C9 | C4 | C5 | H5 | 180.0° | 179.7° |
| C4 | C9 | C8 | H8 | 179.7° | 179.7° |
| N2 | C1 | O1 | C2 | 179.8° | 179.7° |
| C1 | N2 | C11 | H10 | 54.3° | 38.4° |
| N2 | C1 | C2 | H1 | 101.5° | 59.7° |
| N2 | C1 | C2 | H2 | 16.9° | 60.3° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.8° | 179.8° |
| O1 | C1 | N2 | H23 | 179.9° | 175.1° |
| O1 | C1 | C2 | H1 | 78.7° | 120.0° |
| O1 | C1 | C2 | H2 | 162.9° | 120.0° |
| C2 | C1 | N2 | H23 | 0.1° | 5.2° |
| C1 | C2 | H1 | H2 | 117.6° | 120.0° |
| C1 | C2 | C3 | H4 | 56.1° | 60.0° |
| C1 | C2 | C3 | H3 | 61.9° | 59.9° |
| C13 | N1 | C16 | C17 | 73.3° | 90.0° |
| N1 | C13 | C12 | H11 | 20.7° | 54.8° |
| N1 | C13 | C12 | H12 | 96.1° | 65.3° |
| C13 | N1 | C16 | H18 | 166.0° | 150.0° |
| C13 | N1 | C16 | H19 | 47.4° | 30.0° |
| C13 | N1 | C14 | H13 | 35.6° | 150.0° |
| C13 | N1 | C14 | H14 | 154.4° | 30.0° |
| C16 | N1 | C13 | O3 | 0.8° | 0.0° |
| N1 | C16 | C17 | H18 | 120.7° | 120.0° |
| N1 | C16 | C17 | H19 | 120.6° | 120.0° |
| N1 | C16 | H18 | H19 | 117.9° | 120.0° |
| N1 | C16 | C17 | H20 | 180.0° | 60.0° |
| N1 | C16 | C17 | H21 | 60.0° | 60.0° |
| N1 | C16 | C17 | H22 | 60.0° | 180.0° |
| C16 | N1 | C14 | H13 | 145.0° | 30.0° |
| C16 | N1 | C14 | H14 | 26.1° | 150.0° |
| O3 | C13 | C12 | H11 | 158.8° | 125.2° |
| O3 | C13 | C12 | H12 | 84.4° | 114.7° |
| C9 | C8 | C7 | H7 | 179.9° | 179.9° |
| C17 | C16 | H18 | H19 | 118.0° | 120.0° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H22 | 119.9° | 120.1° |
| C16 | C17 | H21 | H22 | 120.0° | 120.0° |
| H30 | C22 | C21 | H29 | 0.1° | 0.4° |
| H30 | C22 | C29 | H35 | 0.0° | 0.0° |
| H31 | C24 | C26 | H32 | 0.2° | 0.0° |
| H32 | C26 | C30 | H36 | 0.4° | 0.0° |
| H36 | C30 | C31 | H37 | 0.3° | 0.0° |
| H24 | N3 | C18 | H25 | 163.4° | 145.1° |
| H25 | C18 | C20 | H26 | 59.6° | 180.0° |
| H25 | C18 | C20 | H27 | 179.7° | 60.0° |
| H25 | C18 | C20 | H28 | 60.4° | 59.9° |
| H38 | N4 | C27 | H33 | 164.8° | 120.0° |
| H38 | N4 | C27 | H34 | 47.2° | 120.0° |
| H26 | C20 | H27 | H28 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 169.5° | 174.3° |
| H10 | C11 | C12 | H12 | 73.7° | 65.6° |
| H10 | C11 | N2 | H23 | 125.8° | 141.6° |
| H18 | C16 | C17 | H20 | 59.3° | 180.0° |
| H18 | C16 | C17 | H21 | 179.3° | 60.0° |
| H18 | C16 | C17 | H22 | 60.7° | 60.0° |
| H19 | C16 | C17 | H20 | 59.4° | 60.0° |
| H19 | C16 | C17 | H21 | 60.7° | 180.0° |
| H19 | C16 | C17 | H22 | 179.4° | 60.0° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| H13 | C14 | C15 | H15 | 59.4° | 60.0° |
| H13 | C14 | C15 | H16 | 60.6° | 180.0° |
| H13 | C14 | C15 | H17 | 179.4° | 60.0° |
| H14 | C14 | C15 | H15 | 59.4° | 60.0° |
| H14 | C14 | C15 | H16 | 179.4° | 60.0° |
| H14 | C14 | C15 | H17 | 60.6° | 180.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H1 | C2 | C3 | H4 | 176.9° | 60.0° |
| H1 | C2 | C3 | H3 | 58.9° | 179.9° |
| H2 | C2 | C3 | H4 | 64.6° | 180.0° |
| H2 | C2 | C3 | H3 | 177.4° | 60.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
