OEB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | N5 | sing | 1.40Å | 1.43Å | |
| N4 | C26 | sing | 1.38Å | 1.33Å | |
| N5 | C26 | sing | 1.35Å | 1.36Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| N6 | C33 | doub | 1.30Å | 1.33Å | Aromatic |
| C25 | C33 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.47Å | 1.46Å | |
| O2 | C24 | doub | 1.22Å | 1.22Å | |
| C24 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C23 | sing | 1.46Å | 1.45Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C | sing | 1.48Å | 1.50Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| O | C | doub | 1.22Å | 1.22Å | |
| C | N | sing | 1.35Å | 1.35Å | |
| N2 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.32Å | |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C9 | sing | 1.53Å | 1.52Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C16 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| N | H32 | sing | 0.97Å | 1.00Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H38 | sing | 1.09Å | 1.10Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C30 | C31 | 119.9° | 120.2° |
| C30 | C29 | C28 | 120.4° | 120.0° |
| C29 | C30 | H20 | 120.1° | 120.0° |
| C30 | C29 | H21 | 119.8° | 119.9° |
| C30 | C31 | C32 | 120.5° | 120.0° |
| C30 | C31 | H19 | 119.8° | 120.0° |
| C31 | C30 | H20 | 120.1° | 119.9° |
| C29 | C28 | C27 | 119.8° | 120.0° |
| C28 | C29 | H21 | 119.8° | 120.0° |
| C29 | C28 | H22 | 120.1° | 120.0° |
| C31 | C32 | C27 | 119.5° | 119.9° |
| C31 | C32 | H18 | 120.2° | 120.0° |
| C32 | C31 | H19 | 119.8° | 119.9° |
| C28 | C27 | C32 | 120.0° | 119.8° |
| C28 | C27 | N5 | 119.8° | 120.1° |
| C27 | C28 | H22 | 120.1° | 120.0° |
| C32 | C27 | N5 | 119.9° | 120.1° |
| C27 | C32 | H18 | 120.2° | 120.0° |
| C27 | N5 | C26 | 128.9° | 125.8° |
| C27 | N5 | N6 | 119.1° | 125.7° |
| N4 | C26 | N5 | 123.8° | 126.5° |
| N4 | C26 | C25 | 129.7° | 126.4° |
| C26 | N4 | H23 | 109.5° | 119.9° |
| C26 | N4 | H24 | 109.4° | 120.0° |
| C26 | N5 | N6 | 112.0° | 108.5° |
| N5 | C26 | C25 | 106.4° | 107.1° |
| N5 | N6 | C33 | 104.5° | 109.2° |
| C26 | C25 | C33 | 105.1° | 107.0° |
| C26 | C25 | C24 | 122.3° | 126.5° |
| N6 | C33 | C25 | 112.0° | 108.2° |
| N6 | C33 | H17 | 124.0° | 125.9° |
| C33 | C25 | C24 | 132.2° | 126.5° |
| C25 | C33 | H17 | 124.0° | 125.9° |
| C25 | C24 | O2 | 121.0° | 120.0° |
| C25 | C24 | N3 | 115.6° | 120.0° |
| O2 | C24 | N3 | 123.3° | 120.0° |
| C24 | N3 | C23 | 122.0° | 120.0° |
| C24 | N3 | H25 | 119.0° | 120.0° |
| N3 | C23 | C22 | 112.5° | 109.5° |
| C23 | N3 | H25 | 119.0° | 120.0° |
| N3 | C23 | H26 | 108.7° | 109.5° |
| N3 | C23 | H27 | 108.7° | 109.4° |
| C23 | C22 | C21 | 121.6° | 119.9° |
| C23 | C22 | C19 | 120.1° | 119.9° |
| C22 | C23 | H26 | 108.7° | 109.5° |
| C22 | C23 | H27 | 108.7° | 109.4° |
| C22 | C21 | C20 | 120.7° | 120.2° |
| C21 | C22 | C19 | 118.3° | 120.3° |
| C22 | C21 | H30 | 119.6° | 119.9° |
| C21 | C20 | C17 | 120.8° | 119.8° |
| C20 | C21 | H30 | 119.6° | 119.9° |
| C21 | C20 | H31 | 119.6° | 120.1° |
| C22 | C19 | C18 | 121.1° | 120.2° |
| C22 | C19 | H28 | 119.5° | 119.9° |
| C20 | C17 | C18 | 118.4° | 119.7° |
| C20 | C17 | C | 118.1° | 120.2° |
| C17 | C20 | H31 | 119.6° | 120.0° |
| C19 | C18 | C17 | 120.6° | 119.8° |
| C18 | C19 | H28 | 119.5° | 119.9° |
| C19 | C18 | H29 | 119.7° | 120.1° |
| C18 | C17 | C | 123.5° | 120.1° |
| C17 | C18 | H29 | 119.7° | 120.1° |
| C17 | C | O | 119.4° | 120.0° |
| C17 | C | N | 118.6° | 120.0° |
| C4 | C3 | N1 | 115.2° | 109.5° |
| C3 | C4 | C5 | 120.8° | 120.8° |
| C3 | C4 | C8 | 119.1° | 120.8° |
| C4 | C3 | H2 | 108.0° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.5° |
| C3 | N1 | C2 | 123.6° | 120.0° |
| N1 | C3 | H2 | 108.0° | 109.4° |
| N1 | C3 | H3 | 108.0° | 109.5° |
| C3 | N1 | H39 | 118.2° | 120.0° |
| O | C | N | 121.9° | 120.0° |
| C | N | C1 | 123.5° | 120.0° |
| C | N | H32 | 118.2° | 119.9° |
| C7 | N2 | C6 | 116.8° | 121.7° |
| N2 | C7 | C8 | 123.2° | 120.8° |
| N2 | C7 | H6 | 118.4° | 119.6° |
| N2 | C6 | C5 | 123.5° | 120.7° |
| N2 | C6 | H5 | 118.3° | 119.6° |
| C5 | C4 | C8 | 117.8° | 118.4° |
| C4 | C5 | C6 | 119.1° | 119.2° |
| C4 | C5 | H4 | 120.5° | 120.4° |
| C4 | C8 | C7 | 119.3° | 119.2° |
| C4 | C8 | H7 | 120.4° | 120.4° |
| C8 | C7 | H6 | 118.4° | 119.6° |
| C7 | C8 | H7 | 120.3° | 120.4° |
| C6 | C5 | H4 | 120.4° | 120.4° |
| C5 | C6 | H5 | 118.3° | 119.6° |
| N1 | C2 | C1 | 116.7° | 120.0° |
| N1 | C2 | O1 | 121.1° | 120.0° |
| C2 | N1 | H39 | 118.2° | 120.0° |
| N | C1 | C2 | 109.9° | 109.5° |
| N | C1 | C9 | 112.5° | 109.4° |
| N | C1 | H1 | 109.6° | 109.5° |
| C1 | N | H32 | 118.3° | 120.0° |
| C2 | C1 | C9 | 107.4° | 109.4° |
| C1 | C2 | O1 | 120.5° | 120.0° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C9 | C10 | 113.7° | 109.5° |
| C9 | C1 | H1 | 108.7° | 109.5° |
| C1 | C9 | H8 | 108.4° | 109.5° |
| C1 | C9 | H9 | 108.4° | 109.5° |
| C13 | C12 | C11 | 112.2° | 109.5° |
| C12 | C13 | C14 | 114.0° | 109.5° |
| C13 | C12 | H13 | 108.8° | 109.5° |
| C13 | C12 | H14 | 108.8° | 109.5° |
| C12 | C13 | H15 | 108.3° | 109.5° |
| C12 | C13 | H16 | 108.3° | 109.5° |
| C12 | C11 | C10 | 115.0° | 109.5° |
| C12 | C11 | C16 | 108.8° | 109.5° |
| C12 | C11 | H12 | 105.4° | 109.5° |
| C11 | C12 | H13 | 108.7° | 109.5° |
| C11 | C12 | H14 | 108.8° | 109.5° |
| C13 | C14 | C15 | 113.7° | 109.5° |
| C14 | C13 | H15 | 108.3° | 109.5° |
| C14 | C13 | H16 | 108.3° | 109.5° |
| C13 | C14 | H37 | 108.4° | 109.5° |
| C13 | C14 | H38 | 108.4° | 109.4° |
| C9 | C10 | C11 | 120.7° | 109.5° |
| C10 | C9 | H8 | 108.4° | 109.5° |
| C10 | C9 | H9 | 108.4° | 109.5° |
| C9 | C10 | H10 | 106.6° | 109.5° |
| C9 | C10 | H11 | 106.6° | 109.4° |
| C14 | C15 | C16 | 113.7° | 109.5° |
| C14 | C15 | H35 | 108.4° | 109.5° |
| C14 | C15 | H36 | 108.4° | 109.5° |
| C15 | C14 | H37 | 108.4° | 109.5° |
| C15 | C14 | H38 | 108.4° | 109.5° |
| C10 | C11 | C16 | 116.0° | 109.5° |
| C11 | C10 | H10 | 106.6° | 109.5° |
| C11 | C10 | H11 | 106.6° | 109.5° |
| C10 | C11 | H12 | 105.1° | 109.4° |
| C11 | C16 | C15 | 111.8° | 109.5° |
| C16 | C11 | H12 | 105.6° | 109.5° |
| C11 | C16 | H33 | 108.9° | 109.5° |
| C11 | C16 | H34 | 108.9° | 109.5° |
| C15 | C16 | H33 | 108.9° | 109.5° |
| C15 | C16 | H34 | 108.9° | 109.5° |
| C16 | C15 | H35 | 108.4° | 109.4° |
| C16 | C15 | H36 | 108.4° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H23 | N4 | H24 | 109.5° | 120.0° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H33 | C16 | H34 | 109.5° | 109.5° |
| H35 | C15 | H36 | 109.5° | 109.5° |
| H37 | C14 | H38 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | C31 | H20 | 180.0° | 179.7° |
| C30 | C29 | C28 | H21 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 1.0° | 0.0° |
| C30 | C29 | C28 | C27 | 0.6° | 0.6° |
| C29 | C30 | C31 | H19 | 179.0° | 180.0° |
| C30 | C29 | C28 | H22 | 179.4° | 180.0° |
| C31 | C30 | C29 | C28 | 0.8° | 0.3° |
| C30 | C31 | C32 | H19 | 180.0° | 179.9° |
| C30 | C31 | C32 | C27 | 0.1° | 0.0° |
| C30 | C31 | C32 | H18 | 179.9° | 180.0° |
| C31 | C30 | C29 | H21 | 179.2° | 180.0° |
| C29 | C28 | C27 | H22 | 180.0° | 179.4° |
| C29 | C28 | C27 | C32 | 1.7° | 0.6° |
| C29 | C28 | C27 | N5 | 171.2° | 179.7° |
| C28 | C29 | C30 | H20 | 179.2° | 180.0° |
| C31 | C32 | C27 | C28 | 1.5° | 0.2° |
| C31 | C32 | C27 | H18 | 180.0° | 180.0° |
| C31 | C32 | C27 | N5 | 171.4° | 180.0° |
| C32 | C31 | C30 | H20 | 179.0° | 179.7° |
| C28 | C27 | C32 | N5 | 172.9° | 179.7° |
| C28 | C27 | N5 | C26 | 97.2° | 35.3° |
| C28 | C27 | N5 | N6 | 82.3° | 144.3° |
| C28 | C27 | C32 | H18 | 178.5° | 179.7° |
| C27 | C28 | C29 | H21 | 179.4° | 179.7° |
| C32 | C27 | N5 | C26 | 75.8° | 145.0° |
| C32 | C27 | N5 | N6 | 104.8° | 35.5° |
| C27 | C32 | C31 | H19 | 179.9° | 180.0° |
| C32 | C27 | C28 | H22 | 178.3° | 180.0° |
| C27 | N5 | C26 | N4 | 2.8° | 0.4° |
| C27 | N5 | C26 | N6 | 179.4° | 179.6° |
| C27 | N5 | C26 | C25 | 178.9° | 180.0° |
| C27 | N5 | N6 | C33 | 179.5° | 179.9° |
| N5 | C27 | C32 | H18 | 8.6° | 0.0° |
| N5 | C27 | C28 | H22 | 8.8° | 0.3° |
| N4 | C26 | N5 | C25 | 178.3° | 179.6° |
| N4 | C26 | N5 | N6 | 176.7° | 180.0° |
| N4 | C26 | C25 | C33 | 176.6° | 180.0° |
| N4 | C26 | C25 | C24 | 9.9° | 0.3° |
| C26 | N4 | H23 | H24 | 120.0° | 180.0° |
| C26 | N5 | N6 | C33 | 1.0° | 0.3° |
| N5 | C26 | C25 | C33 | 1.5° | 0.4° |
| N5 | C26 | C25 | C24 | 171.9° | 179.9° |
| N5 | C26 | N4 | H23 | 180.0° | 0.0° |
| N5 | C26 | N4 | H24 | 60.0° | 180.0° |
| N6 | N5 | C26 | C25 | 1.6° | 0.4° |
| N5 | N6 | C33 | C25 | 0.0° | 0.0° |
| N5 | N6 | C33 | H17 | 180.0° | 180.0° |
| C26 | C25 | C33 | N6 | 1.0° | 0.2° |
| C26 | C25 | C33 | C24 | 172.5° | 179.7° |
| C26 | C25 | C24 | O2 | 0.1° | 0.4° |
| C26 | C25 | C24 | N3 | 175.9° | 179.7° |
| C26 | C25 | C33 | H17 | 179.0° | 179.7° |
| C25 | C26 | N4 | H23 | 2.1° | 179.5° |
| C25 | C26 | N4 | H24 | 117.9° | 0.5° |
| N6 | C33 | C25 | H17 | 180.0° | 180.0° |
| N6 | C33 | C25 | C24 | 171.5° | 179.9° |
| C33 | C25 | C24 | O2 | 171.6° | 180.0° |
| C33 | C25 | C24 | N3 | 4.5° | 0.1° |
| C25 | C24 | O2 | N3 | 175.7° | 180.0° |
| C25 | C24 | N3 | C23 | 178.9° | 179.9° |
| C24 | C25 | C33 | H17 | 8.5° | 0.1° |
| C25 | C24 | N3 | H25 | 1.1° | 0.0° |
| O2 | C24 | N3 | C23 | 3.0° | 0.0° |
| O2 | C24 | N3 | H25 | 177.0° | 179.9° |
| C24 | N3 | C23 | H25 | 180.0° | 179.9° |
| C24 | N3 | C23 | C22 | 87.3° | 180.0° |
| C24 | N3 | C23 | H26 | 152.2° | 60.0° |
| C24 | N3 | C23 | H27 | 33.2° | 60.1° |
| N3 | C23 | C22 | H26 | 120.5° | 120.0° |
| N3 | C23 | C22 | H27 | 120.4° | 119.9° |
| N3 | C23 | C22 | C21 | 10.6° | 90.2° |
| N3 | C23 | C22 | C19 | 168.5° | 90.0° |
| N3 | C23 | H26 | H27 | 118.6° | 120.0° |
| C23 | C22 | C21 | C19 | 179.1° | 179.7° |
| C23 | C22 | C21 | C20 | 179.3° | 180.0° |
| C23 | C22 | C19 | C18 | 179.5° | 180.0° |
| C22 | C23 | N3 | H25 | 92.7° | 0.1° |
| C22 | C23 | H26 | H27 | 118.7° | 120.0° |
| C23 | C22 | C19 | H28 | 0.5° | 0.0° |
| C23 | C22 | C21 | H30 | 0.7° | 0.0° |
| C22 | C21 | C20 | H30 | 180.0° | 179.9° |
| C22 | C21 | C20 | C17 | 0.5° | 0.0° |
| C21 | C22 | C19 | C18 | 0.4° | 0.2° |
| C21 | C22 | C23 | H26 | 131.0° | 149.7° |
| C21 | C22 | C23 | H27 | 109.9° | 29.7° |
| C21 | C22 | C19 | H28 | 179.6° | 179.8° |
| C22 | C21 | C20 | H31 | 179.5° | 180.0° |
| C20 | C21 | C22 | C19 | 0.2° | 0.2° |
| C21 | C20 | C17 | H31 | 180.0° | 180.0° |
| C21 | C20 | C17 | C18 | 0.9° | 0.3° |
| C21 | C20 | C17 | C | 177.7° | 180.0° |
| C22 | C19 | C18 | H28 | 180.0° | 180.0° |
| C22 | C19 | C18 | C17 | 0.8° | 0.0° |
| C19 | C22 | C23 | H26 | 48.1° | 30.0° |
| C19 | C22 | C23 | H27 | 71.0° | 150.0° |
| C22 | C19 | C18 | H29 | 179.2° | 180.0° |
| C19 | C22 | C21 | H30 | 179.7° | 179.7° |
| C20 | C17 | C18 | C19 | 1.0° | 0.3° |
| C20 | C17 | C18 | C | 178.5° | 179.7° |
| C20 | C17 | C | O | 18.1° | 0.0° |
| C20 | C17 | C | N | 164.8° | 180.0° |
| C20 | C17 | C18 | H29 | 178.9° | 179.7° |
| C17 | C20 | C21 | H30 | 179.4° | 180.0° |
| C19 | C18 | C17 | H29 | 180.0° | 179.9° |
| C19 | C18 | C17 | C | 177.5° | 180.0° |
| C18 | C17 | C | O | 160.5° | 179.7° |
| C18 | C17 | C | N | 16.7° | 0.3° |
| C17 | C18 | C19 | H28 | 179.2° | 180.0° |
| C18 | C17 | C20 | H31 | 179.1° | 179.7° |
| C17 | C | O | N | 177.0° | 179.9° |
| C17 | C | N | C1 | 172.7° | 180.0° |
| C | C17 | C18 | H29 | 2.5° | 0.0° |
| C | C17 | C20 | H31 | 2.3° | 0.0° |
| C17 | C | N | H32 | 7.3° | 0.0° |
| C4 | C3 | N1 | H2 | 120.8° | 120.0° |
| C4 | C3 | N1 | H3 | 120.9° | 120.0° |
| C3 | C4 | C5 | C8 | 162.6° | 179.8° |
| C3 | C4 | C8 | C7 | 156.3° | 180.0° |
| C3 | C4 | C5 | C6 | 157.0° | 180.0° |
| C4 | C3 | N1 | C2 | 71.1° | 180.0° |
| C4 | C3 | H2 | H3 | 117.4° | 120.0° |
| C3 | C4 | C5 | H4 | 23.0° | 0.0° |
| C3 | C4 | C8 | H7 | 23.7° | 0.0° |
| C4 | C3 | N1 | H39 | 108.9° | 0.0° |
| N1 | C3 | C4 | C5 | 76.2° | 90.0° |
| N1 | C3 | C4 | C8 | 121.4° | 90.2° |
| C3 | N1 | C2 | H39 | 180.0° | 180.0° |
| C3 | N1 | C2 | C1 | 95.4° | 180.0° |
| C3 | N1 | C2 | O1 | 99.3° | 0.0° |
| N1 | C3 | H2 | H3 | 117.4° | 120.0° |
| O | C | N | C1 | 10.3° | 0.0° |
| O | C | N | H32 | 169.7° | 179.9° |
| C | N | C1 | H32 | 180.0° | 180.0° |
| C | N | C1 | C2 | 138.2° | 155.0° |
| C | N | C1 | C9 | 102.2° | 85.0° |
| C | N | C1 | H1 | 19.0° | 35.0° |
| N2 | C7 | C8 | C4 | 3.0° | 0.1° |
| N2 | C7 | C8 | H6 | 180.0° | 179.9° |
| C7 | N2 | C6 | C5 | 3.0° | 0.3° |
| C7 | N2 | C6 | H5 | 177.0° | 179.8° |
| N2 | C7 | C8 | H7 | 177.0° | 180.0° |
| N2 | C6 | C5 | C4 | 0.8° | 0.0° |
| C6 | N2 | C7 | C8 | 1.9° | 0.3° |
| N2 | C6 | C5 | H5 | 180.0° | 179.9° |
| N2 | C6 | C5 | H4 | 179.2° | 179.9° |
| C6 | N2 | C7 | H6 | 178.2° | 179.8° |
| C5 | C4 | C8 | C7 | 6.6° | 0.2° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H2 | 162.9° | 150.1° |
| C5 | C4 | C3 | H3 | 44.6° | 30.0° |
| C4 | C5 | C6 | H5 | 179.2° | 180.0° |
| C5 | C4 | C8 | H7 | 173.4° | 179.8° |
| C4 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C4 | C5 | C6 | 5.6° | 0.2° |
| C8 | C4 | C3 | H2 | 0.5° | 29.7° |
| C8 | C4 | C3 | H3 | 117.8° | 149.7° |
| C8 | C4 | C5 | H4 | 174.4° | 179.8° |
| C4 | C8 | C7 | H6 | 177.0° | 180.0° |
| N1 | C2 | C1 | N | 42.4° | 180.0° |
| N1 | C2 | C1 | O1 | 165.4° | 180.0° |
| N1 | C2 | C1 | C9 | 165.0° | 60.0° |
| N1 | C2 | C1 | H1 | 77.5° | 60.0° |
| C2 | N1 | C3 | H2 | 49.7° | 60.0° |
| C2 | N1 | C3 | H3 | 168.0° | 60.0° |
| N | C1 | C2 | C9 | 122.7° | 120.0° |
| N | C1 | C2 | H1 | 119.9° | 120.0° |
| N | C1 | C9 | H1 | 121.6° | 120.0° |
| N | C1 | C2 | O1 | 123.0° | 0.1° |
| N | C1 | C9 | C10 | 62.3° | 65.0° |
| N | C1 | C9 | H8 | 58.3° | 55.0° |
| N | C1 | C9 | H9 | 177.1° | 175.0° |
| C2 | C1 | C9 | H1 | 117.3° | 120.0° |
| C2 | C1 | C9 | C10 | 176.6° | 175.0° |
| C2 | C1 | C9 | H8 | 62.8° | 65.0° |
| C2 | C1 | C9 | H9 | 56.0° | 55.0° |
| C2 | C1 | N | H32 | 41.7° | 24.9° |
| C1 | C2 | N1 | H39 | 84.6° | 0.0° |
| C9 | C1 | C2 | O1 | 0.3° | 120.0° |
| C1 | C9 | C10 | H8 | 120.6° | 120.0° |
| C1 | C9 | C10 | H9 | 120.6° | 120.0° |
| C1 | C9 | C10 | C11 | 95.6° | 180.0° |
| C1 | C9 | H8 | H9 | 118.1° | 120.0° |
| C1 | C9 | C10 | H10 | 26.0° | 60.0° |
| C1 | C9 | C10 | H11 | 142.8° | 60.0° |
| C9 | C1 | N | H32 | 77.9° | 95.0° |
| O1 | C2 | C1 | H1 | 117.1° | 120.0° |
| O1 | C2 | N1 | H39 | 80.7° | 180.0° |
| C13 | C12 | C11 | H13 | 120.4° | 120.0° |
| C13 | C12 | C11 | H14 | 120.4° | 120.0° |
| C12 | C13 | C14 | H15 | 120.7° | 120.0° |
| C12 | C13 | C14 | H16 | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 40.7° | 60.0° |
| C13 | C12 | C11 | C10 | 168.6° | 180.0° |
| C13 | C12 | C11 | C16 | 59.4° | 60.0° |
| C13 | C12 | C11 | H12 | 53.4° | 60.0° |
| C13 | C12 | H13 | H14 | 118.8° | 120.0° |
| C12 | C13 | H15 | H16 | 118.0° | 120.0° |
| C12 | C13 | C14 | H37 | 79.9° | 60.0° |
| C12 | C13 | C14 | H38 | 161.3° | 180.0° |
| C11 | C12 | C13 | C14 | 49.8° | 60.0° |
| C12 | C11 | C10 | C9 | 116.6° | 65.0° |
| C12 | C11 | C10 | C16 | 128.4° | 120.0° |
| C12 | C11 | C10 | H12 | 115.4° | 120.0° |
| C12 | C11 | C16 | H12 | 112.7° | 120.0° |
| C12 | C11 | C16 | C15 | 61.0° | 60.0° |
| C12 | C11 | C10 | H10 | 5.0° | 175.0° |
| C12 | C11 | C10 | H11 | 121.8° | 54.9° |
| C11 | C12 | H13 | H14 | 118.7° | 120.0° |
| C11 | C12 | C13 | H15 | 170.5° | 180.0° |
| C11 | C12 | C13 | H16 | 70.8° | 60.0° |
| C12 | C11 | C16 | H33 | 178.6° | 180.0° |
| C12 | C11 | C16 | H34 | 59.3° | 60.0° |
| C13 | C14 | C15 | H37 | 120.6° | 120.1° |
| C13 | C14 | C15 | H38 | 120.6° | 120.0° |
| C13 | C14 | C15 | C16 | 42.2° | 60.0° |
| C14 | C13 | C12 | H13 | 170.2° | 60.0° |
| C14 | C13 | C12 | H14 | 70.5° | 180.0° |
| C14 | C13 | H15 | H16 | 117.9° | 120.0° |
| C13 | C14 | C15 | H35 | 162.8° | 60.0° |
| C13 | C14 | C15 | H36 | 78.4° | 180.0° |
| C13 | C14 | H37 | H38 | 118.1° | 120.0° |
| C9 | C10 | C11 | H10 | 121.6° | 120.0° |
| C9 | C10 | C11 | H11 | 121.6° | 119.9° |
| C9 | C10 | C11 | C16 | 11.8° | 175.0° |
| C10 | C9 | C1 | H1 | 59.3° | 55.0° |
| C10 | C9 | H8 | H9 | 118.0° | 120.0° |
| C9 | C10 | H10 | H11 | 114.9° | 120.0° |
| C9 | C10 | C11 | H12 | 128.0° | 55.0° |
| C14 | C15 | C16 | C11 | 53.4° | 60.0° |
| C14 | C15 | C16 | H35 | 120.6° | 120.1° |
| C14 | C15 | C16 | H36 | 120.6° | 120.0° |
| C15 | C14 | C13 | H15 | 161.4° | 180.0° |
| C15 | C14 | C13 | H16 | 80.0° | 60.0° |
| C14 | C15 | C16 | H33 | 173.8° | 180.0° |
| C14 | C15 | C16 | H34 | 66.9° | 60.0° |
| C14 | C15 | H35 | H36 | 118.1° | 120.1° |
| C15 | C14 | H37 | H38 | 118.1° | 120.0° |
| C10 | C11 | C16 | H12 | 115.9° | 120.0° |
| C10 | C11 | C16 | C15 | 167.6° | 180.0° |
| C11 | C10 | C9 | H8 | 143.8° | 60.0° |
| C11 | C10 | C9 | H9 | 25.0° | 60.0° |
| C11 | C10 | H10 | H11 | 114.9° | 120.0° |
| C10 | C11 | C12 | H13 | 48.2° | 60.0° |
| C10 | C11 | C12 | H14 | 71.0° | 60.0° |
| C10 | C11 | C16 | H33 | 47.2° | 60.0° |
| C10 | C11 | C16 | H34 | 72.1° | 60.0° |
| C11 | C16 | C15 | H33 | 120.4° | 120.0° |
| C11 | C16 | C15 | H34 | 120.4° | 120.0° |
| C16 | C11 | C10 | H10 | 133.4° | 55.0° |
| C16 | C11 | C10 | H11 | 109.7° | 65.0° |
| C16 | C11 | C12 | H13 | 179.8° | 60.0° |
| C16 | C11 | C12 | H14 | 61.0° | 180.0° |
| C11 | C16 | H33 | H34 | 118.9° | 120.0° |
| C11 | C16 | C15 | H35 | 174.0° | 60.0° |
| C11 | C16 | C15 | H36 | 67.2° | 180.0° |
| C15 | C16 | C11 | H12 | 51.7° | 60.0° |
| C15 | C16 | H33 | H34 | 118.9° | 120.0° |
| C16 | C15 | H35 | H36 | 118.1° | 119.9° |
| C16 | C15 | C14 | H37 | 78.4° | 60.0° |
| C16 | C15 | C14 | H38 | 162.8° | 180.0° |
| H1 | C1 | C9 | H8 | 179.9° | 175.0° |
| H1 | C1 | C9 | H9 | 61.3° | 65.0° |
| H1 | C1 | N | H32 | 161.0° | 145.0° |
| H2 | C3 | N1 | H39 | 130.3° | 120.0° |
| H3 | C3 | N1 | H39 | 12.0° | 120.0° |
| H4 | C5 | C6 | H5 | 0.7° | 0.0° |
| H6 | C7 | C8 | H7 | 3.0° | 0.0° |
| H8 | C9 | C10 | H10 | 94.6° | NaN° |
| H8 | C9 | C10 | H11 | 22.2° | 60.0° |
| H9 | C9 | C10 | H10 | 146.6° | 60.0° |
| H9 | C9 | C10 | H11 | 96.6° | 180.0° |
| H10 | C10 | C11 | H12 | 110.4° | 65.0° |
| H11 | C10 | C11 | H12 | 6.4° | 174.9° |
| H12 | C11 | C12 | H13 | 67.0° | 179.9° |
| H12 | C11 | C12 | H14 | 173.8° | 60.0° |
| H12 | C11 | C16 | H33 | 68.7° | 60.0° |
| H12 | C11 | C16 | H34 | 172.0° | 180.0° |
| H13 | C12 | C13 | H15 | 69.1° | 60.0° |
| H13 | C12 | C13 | H16 | 49.6° | 180.0° |
| H14 | C12 | C13 | H15 | 50.1° | 60.0° |
| H14 | C12 | C13 | H16 | 168.8° | 60.0° |
| H15 | C13 | C14 | H37 | 40.7° | 60.0° |
| H15 | C13 | C14 | H38 | 78.0° | 60.0° |
| H16 | C13 | C14 | H37 | 159.4° | 179.9° |
| H16 | C13 | C14 | H38 | 40.7° | 60.0° |
| H18 | C32 | C31 | H19 | 0.1° | 0.0° |
| H19 | C31 | C30 | H20 | 1.1° | 0.3° |
| H20 | C30 | C29 | H21 | 0.8° | 0.3° |
| H21 | C29 | C28 | H22 | 0.6° | 0.3° |
| H25 | N3 | C23 | H26 | 27.8° | 119.9° |
| H25 | N3 | C23 | H27 | 146.8° | 120.0° |
| H28 | C19 | C18 | H29 | 0.8° | 0.0° |
| H30 | C21 | C20 | H31 | 0.5° | 0.0° |
| H33 | C16 | C15 | H35 | 65.6° | 60.0° |
| H33 | C16 | C15 | H36 | 53.2° | 60.0° |
| H34 | C16 | C15 | H35 | 53.7° | 180.0° |
| H34 | C16 | C15 | H36 | 172.5° | 60.0° |
| H35 | C15 | C14 | H37 | 42.2° | 180.0° |
| H35 | C15 | C14 | H38 | 76.6° | 60.0° |
| H36 | C15 | C14 | H37 | 161.0° | 59.9° |
| H36 | C15 | C14 | H38 | 42.2° | 60.1° |
