O8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C28 | C33 | sing | 1.53Å | 1.53Å | |
| O | C19 | doub | 1.21Å | 1.22Å | |
| C26 | C18 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C19 | N4 | sing | 1.35Å | 1.34Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| N4 | C20 | sing | 1.46Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C25 | sing | 1.53Å | 1.52Å | |
| N3 | C17 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C17 | O1 | doub | 1.22Å | 1.23Å | |
| C17 | C14 | sing | 1.48Å | 1.49Å | |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | O2 | doub | 1.22Å | 1.24Å | |
| C9 | C8 | sing | 1.47Å | 1.47Å | |
| C6 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | N | sing | 1.35Å | 1.36Å | Aromatic |
| C7 | N5 | sing | 1.38Å | 1.34Å | |
| N | C3 | sing | 1.40Å | 1.43Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C21 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 113.3° | 109.5° |
| C29 | C30 | C31 | 111.3° | 109.5° |
| C29 | C30 | H30 | 109.0° | 109.5° |
| C29 | C30 | H31 | 109.0° | 109.5° |
| C30 | C29 | H32 | 108.5° | 109.5° |
| C30 | C29 | H33 | 108.5° | 109.5° |
| C29 | C28 | C27 | 109.3° | 109.4° |
| C29 | C28 | C33 | 109.9° | 109.5° |
| C29 | C28 | H23 | 108.6° | 109.5° |
| C28 | C29 | H32 | 108.5° | 109.5° |
| C28 | C29 | H33 | 108.5° | 109.5° |
| C28 | C27 | C26 | 116.9° | 109.4° |
| C27 | C28 | C33 | 111.5° | 109.4° |
| C28 | C27 | H21 | 107.6° | 109.5° |
| C28 | C27 | H22 | 107.6° | 109.5° |
| C27 | C28 | H23 | 108.9° | 109.5° |
| C27 | C26 | C18 | 118.8° | 109.5° |
| C27 | C26 | H19 | 107.1° | 109.5° |
| C27 | C26 | H20 | 107.1° | 109.5° |
| C26 | C27 | H21 | 107.6° | 109.4° |
| C26 | C27 | H22 | 107.6° | 109.5° |
| C30 | C31 | C32 | 110.5° | 109.5° |
| C30 | C31 | H28 | 109.2° | 109.5° |
| C30 | C31 | H29 | 109.2° | 109.5° |
| C31 | C30 | H30 | 109.0° | 109.4° |
| C31 | C30 | H31 | 109.0° | 109.5° |
| C31 | C32 | C33 | 110.8° | 109.5° |
| C31 | C32 | H26 | 109.1° | 109.5° |
| C31 | C32 | H27 | 109.1° | 109.5° |
| C32 | C31 | H28 | 109.2° | 109.5° |
| C32 | C31 | H29 | 109.2° | 109.5° |
| C28 | C33 | C32 | 112.8° | 109.5° |
| C33 | C28 | H23 | 108.6° | 109.5° |
| C28 | C33 | H24 | 108.6° | 109.5° |
| C28 | C33 | H25 | 108.6° | 109.5° |
| O | C19 | C18 | 120.8° | 120.1° |
| O | C19 | N4 | 123.1° | 120.0° |
| C26 | C18 | C19 | 117.6° | 109.5° |
| C26 | C18 | N3 | 109.2° | 109.5° |
| C26 | C18 | H18 | 106.1° | 109.5° |
| C18 | C26 | H19 | 107.1° | 109.5° |
| C18 | C26 | H20 | 107.1° | 109.5° |
| C32 | C33 | H24 | 108.6° | 109.5° |
| C32 | C33 | H25 | 108.6° | 109.4° |
| C33 | C32 | H26 | 109.1° | 109.4° |
| C33 | C32 | H27 | 109.2° | 109.5° |
| C18 | C19 | N4 | 116.1° | 120.0° |
| C19 | C18 | N3 | 110.1° | 109.4° |
| C19 | C18 | H18 | 106.2° | 109.5° |
| C19 | N4 | C20 | 123.5° | 120.0° |
| C19 | N4 | H11 | 118.3° | 120.0° |
| C18 | N3 | C17 | 120.7° | 120.0° |
| C18 | N3 | H8 | 119.7° | 120.0° |
| N3 | C18 | H18 | 107.2° | 109.4° |
| N4 | C20 | C21 | 110.2° | 109.5° |
| N4 | C20 | C25 | 110.6° | 109.5° |
| C20 | N4 | H11 | 118.2° | 120.0° |
| N4 | C20 | H34 | 108.8° | 109.5° |
| C21 | C20 | C25 | 110.9° | 109.4° |
| C20 | C21 | C22 | 111.9° | 109.5° |
| C21 | C20 | H34 | 108.1° | 109.5° |
| C20 | C21 | H43 | 108.8° | 109.5° |
| C20 | C21 | H44 | 108.9° | 109.5° |
| C20 | C25 | C24 | 111.5° | 109.5° |
| C25 | C20 | H34 | 108.1° | 109.5° |
| C20 | C25 | H35 | 109.0° | 109.4° |
| C20 | C25 | H36 | 108.9° | 109.4° |
| N3 | C17 | O1 | 122.7° | 120.0° |
| N3 | C17 | C14 | 116.9° | 120.0° |
| C17 | N3 | H8 | 119.7° | 120.0° |
| C21 | C22 | C23 | 111.8° | 109.5° |
| C21 | C22 | H41 | 108.9° | 109.5° |
| C21 | C22 | H42 | 108.8° | 109.5° |
| C22 | C21 | H43 | 108.9° | 109.5° |
| C22 | C21 | H44 | 108.9° | 109.4° |
| C24 | C23 | C22 | 111.3° | 109.5° |
| C23 | C24 | C25 | 111.8° | 109.4° |
| C23 | C24 | H37 | 108.9° | 109.5° |
| C23 | C24 | H38 | 108.9° | 109.5° |
| C24 | C23 | H39 | 109.0° | 109.4° |
| C24 | C23 | H40 | 109.0° | 109.5° |
| C22 | C23 | H39 | 109.0° | 109.5° |
| C22 | C23 | H40 | 109.0° | 109.5° |
| C23 | C22 | H41 | 108.9° | 109.5° |
| C23 | C22 | H42 | 108.9° | 109.5° |
| C24 | C25 | H35 | 109.0° | 109.5° |
| C24 | C25 | H36 | 109.0° | 109.6° |
| C25 | C24 | H37 | 108.9° | 109.5° |
| C25 | C24 | H38 | 108.9° | 109.4° |
| O1 | C17 | C14 | 120.4° | 120.0° |
| C17 | C14 | C15 | 122.9° | 120.1° |
| C17 | C14 | C13 | 118.6° | 120.2° |
| C14 | C15 | C16 | 120.4° | 119.9° |
| C15 | C14 | C13 | 118.4° | 119.7° |
| C14 | C15 | H10 | 119.8° | 120.1° |
| C15 | C16 | C11 | 121.0° | 120.1° |
| C16 | C15 | H10 | 119.8° | 120.1° |
| C15 | C16 | H17 | 119.5° | 119.9° |
| C14 | C13 | C12 | 120.6° | 119.9° |
| C14 | C13 | H9 | 119.7° | 120.1° |
| C16 | C11 | C12 | 118.3° | 120.3° |
| C16 | C11 | C10 | 120.0° | 119.9° |
| C11 | C16 | H17 | 119.5° | 119.9° |
| C13 | C12 | C11 | 120.9° | 120.1° |
| C13 | C12 | H7 | 119.5° | 119.9° |
| C12 | C13 | H9 | 119.7° | 120.1° |
| C12 | C11 | C10 | 121.7° | 119.8° |
| C11 | C12 | H7 | 119.5° | 120.0° |
| C11 | C10 | N2 | 113.4° | 109.5° |
| C11 | C10 | H5 | 108.5° | 109.4° |
| C11 | C10 | H6 | 108.5° | 109.5° |
| C10 | N2 | C9 | 122.8° | 120.0° |
| C10 | N2 | H4 | 118.6° | 120.0° |
| N2 | C10 | H5 | 108.5° | 109.5° |
| N2 | C10 | H6 | 108.5° | 109.5° |
| N2 | C9 | O2 | 124.1° | 120.0° |
| N2 | C9 | C8 | 114.9° | 120.0° |
| C9 | N2 | H4 | 118.6° | 120.0° |
| O2 | C9 | C8 | 120.9° | 120.0° |
| C9 | C8 | C6 | 129.0° | 126.5° |
| C9 | C8 | C7 | 126.0° | 126.5° |
| C8 | C6 | N1 | 112.4° | 108.3° |
| C6 | C8 | C7 | 104.4° | 107.0° |
| C8 | C6 | H3 | 123.8° | 125.9° |
| C6 | N1 | N | 104.6° | 109.2° |
| N1 | C6 | H3 | 123.8° | 125.9° |
| C8 | C7 | N | 106.4° | 107.1° |
| C8 | C7 | N5 | 129.8° | 126.4° |
| N1 | N | C7 | 112.0° | 108.5° |
| N1 | N | C3 | 118.1° | 125.7° |
| N | C7 | N5 | 123.8° | 126.5° |
| C7 | N | C3 | 129.2° | 125.8° |
| C7 | N5 | H12 | 109.5° | 120.0° |
| C7 | N5 | H13 | 109.4° | 120.1° |
| N | C3 | C2 | 119.5° | 120.1° |
| N | C3 | C4 | 120.3° | 120.1° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.2° | 119.8° |
| C3 | C2 | H14 | 120.2° | 120.0° |
| C2 | C1 | C | 120.3° | 120.1° |
| C1 | C2 | H14 | 120.2° | 120.0° |
| C2 | C1 | H15 | 119.9° | 120.0° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C3 | C4 | H1 | 120.3° | 120.0° |
| C1 | C | C5 | 119.9° | 120.1° |
| C | C1 | H15 | 119.8° | 119.9° |
| C1 | C | H16 | 120.0° | 119.9° |
| C4 | C5 | C | 120.5° | 120.0° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C | C5 | H2 | 119.7° | 120.0° |
| C5 | C | H16 | 120.1° | 119.9° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H12 | N5 | H13 | 109.5° | 119.9° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.4° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.4° |
| H37 | C24 | H38 | 109.4° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| H43 | C21 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H32 | 120.5° | 120.0° |
| C30 | C29 | C28 | H33 | 120.6° | 120.0° |
| C30 | C29 | C28 | C27 | 173.9° | 180.0° |
| C29 | C30 | C31 | H30 | 120.3° | 120.0° |
| C29 | C30 | C31 | H31 | 120.3° | 120.0° |
| C29 | C30 | C31 | C32 | 57.4° | 60.0° |
| C30 | C29 | C28 | C33 | 51.2° | 60.0° |
| C30 | C29 | C28 | H23 | 67.5° | 60.0° |
| C29 | C30 | C31 | H28 | 62.7° | 180.0° |
| C29 | C30 | C31 | H29 | 177.6° | 60.0° |
| C29 | C30 | H30 | H31 | 119.2° | 120.0° |
| C30 | C29 | H32 | H33 | 118.3° | 120.0° |
| C29 | C28 | C27 | C33 | 121.7° | 120.0° |
| C29 | C28 | C27 | H23 | 118.5° | 120.1° |
| C29 | C28 | C27 | C26 | 173.7° | 65.1° |
| C28 | C29 | C30 | C31 | 55.1° | 60.0° |
| C29 | C28 | C33 | H23 | 118.7° | 120.1° |
| C29 | C28 | C33 | C32 | 51.5° | 60.0° |
| C29 | C28 | C27 | H21 | 52.6° | 175.0° |
| C29 | C28 | C27 | H22 | 65.3° | 55.0° |
| C29 | C28 | C33 | H24 | 172.0° | 180.0° |
| C29 | C28 | C33 | H25 | 69.0° | 60.0° |
| C28 | C29 | C30 | H30 | 175.4° | 60.0° |
| C28 | C29 | C30 | H31 | 65.1° | 180.0° |
| C28 | C29 | H32 | H33 | 118.3° | 120.0° |
| C28 | C27 | C26 | H21 | 121.1° | 119.9° |
| C28 | C27 | C26 | H22 | 121.1° | 120.1° |
| C27 | C28 | C33 | H23 | 120.0° | 120.0° |
| C28 | C27 | C26 | C18 | 53.4° | 180.0° |
| C27 | C28 | C33 | C32 | 172.8° | 180.0° |
| C28 | C27 | C26 | H19 | 174.7° | 60.0° |
| C28 | C27 | C26 | H20 | 67.9° | 60.0° |
| C28 | C27 | H21 | H22 | 116.7° | 120.0° |
| C27 | C28 | C33 | H24 | 66.7° | 60.0° |
| C27 | C28 | C33 | H25 | 52.3° | 60.0° |
| C27 | C28 | C29 | H32 | 65.6° | 60.0° |
| C27 | C28 | C29 | H33 | 53.3° | 60.0° |
| C26 | C27 | C28 | C33 | 64.7° | 175.0° |
| C27 | C26 | C18 | H19 | 121.3° | 120.0° |
| C27 | C26 | C18 | H20 | 121.3° | 120.0° |
| C27 | C26 | C18 | C19 | 68.5° | 175.1° |
| C27 | C26 | C18 | N3 | 165.2° | 65.0° |
| C27 | C26 | C18 | H18 | 50.1° | 55.0° |
| C27 | C26 | H19 | H20 | 115.8° | 120.0° |
| C26 | C27 | H21 | H22 | 116.6° | 120.0° |
| C26 | C27 | C28 | H23 | 55.2° | 55.0° |
| C30 | C31 | C32 | H28 | 120.1° | 120.1° |
| C30 | C31 | C32 | H29 | 120.1° | 120.0° |
| C30 | C31 | C32 | C33 | 57.7° | 59.9° |
| C30 | C31 | C32 | H26 | 177.9° | 60.0° |
| C30 | C31 | C32 | H27 | 62.5° | 180.0° |
| C30 | C31 | H28 | H29 | 119.5° | 120.0° |
| C31 | C30 | H30 | H31 | 119.1° | 120.0° |
| C31 | C30 | C29 | H32 | 175.7° | 60.0° |
| C31 | C30 | C29 | H33 | 65.4° | 180.0° |
| C31 | C32 | C33 | C28 | 55.7° | 60.0° |
| C31 | C32 | C33 | H26 | 120.2° | 120.0° |
| C31 | C32 | C33 | H27 | 120.2° | 120.1° |
| C31 | C32 | C33 | H24 | 176.2° | 180.0° |
| C31 | C32 | C33 | H25 | 64.8° | 60.0° |
| C31 | C32 | H26 | H27 | 119.4° | 120.0° |
| C32 | C31 | H28 | H29 | 119.6° | 120.0° |
| C32 | C31 | C30 | H30 | 177.8° | 60.1° |
| C32 | C31 | C30 | H31 | 62.9° | 180.0° |
| C28 | C33 | C32 | H24 | 120.5° | 120.0° |
| C28 | C33 | C32 | H25 | 120.5° | 120.0° |
| C33 | C28 | C27 | H21 | 174.3° | 55.1° |
| C33 | C28 | C27 | H22 | 56.4° | 65.0° |
| C28 | C33 | H24 | H25 | 118.5° | 120.0° |
| C28 | C33 | C32 | H26 | 175.9° | 60.0° |
| C28 | C33 | C32 | H27 | 64.5° | 180.0° |
| C33 | C28 | C29 | H32 | 171.7° | 59.9° |
| C33 | C28 | C29 | H33 | 69.4° | 180.0° |
| O | C19 | C18 | C26 | 12.1° | 120.0° |
| O | C19 | C18 | N4 | 178.3° | 180.0° |
| O | C19 | C18 | N3 | 113.8° | 0.0° |
| O | C19 | N4 | C20 | 10.8° | 0.0° |
| O | C19 | N4 | H11 | 169.2° | 180.0° |
| O | C19 | C18 | H18 | 130.5° | 120.0° |
| C26 | C18 | C19 | N3 | 125.8° | 120.0° |
| C26 | C18 | C19 | H18 | 118.5° | 120.0° |
| C26 | C18 | C19 | N4 | 169.6° | 60.0° |
| C26 | C18 | N3 | H18 | 114.5° | 120.0° |
| C26 | C18 | N3 | C17 | 86.7° | 85.0° |
| C26 | C18 | N3 | H8 | 93.3° | 95.0° |
| C18 | C26 | H19 | H20 | 115.7° | 120.0° |
| C18 | C26 | C27 | H21 | 67.7° | 60.0° |
| C18 | C26 | C27 | H22 | 174.4° | 60.0° |
| C32 | C33 | C28 | H23 | 67.2° | 60.1° |
| C32 | C33 | H24 | H25 | 118.5° | 119.9° |
| C33 | C32 | H26 | H27 | 119.4° | 120.0° |
| C33 | C32 | C31 | H28 | 62.4° | 180.0° |
| C33 | C32 | C31 | H29 | 177.9° | 60.1° |
| C19 | C18 | N3 | H18 | 115.0° | 120.0° |
| C18 | C19 | N4 | C20 | 167.5° | 180.0° |
| C19 | C18 | N3 | C17 | 142.8° | 155.0° |
| C19 | C18 | N3 | H8 | 37.2° | 25.0° |
| C18 | C19 | N4 | H11 | 12.5° | 0.0° |
| C19 | C18 | C26 | H19 | 52.8° | 64.9° |
| C19 | C18 | C26 | H20 | 170.2° | 55.1° |
| N4 | C19 | C18 | N3 | 64.5° | 180.0° |
| C19 | N4 | C20 | H11 | 180.0° | 180.0° |
| C19 | N4 | C20 | C21 | 124.5° | 155.0° |
| C19 | N4 | C20 | C25 | 112.5° | 85.0° |
| N4 | C19 | C18 | H18 | 51.1° | 60.0° |
| C19 | N4 | C20 | H34 | 6.1° | 35.0° |
| C18 | N3 | C17 | H8 | 180.0° | 180.0° |
| C18 | N3 | C17 | O1 | 4.6° | 0.0° |
| C18 | N3 | C17 | C14 | 176.3° | 180.0° |
| N3 | C18 | C26 | H19 | 73.5° | 55.0° |
| N3 | C18 | C26 | H20 | 43.9° | 175.0° |
| N4 | C20 | C21 | C25 | 122.8° | 120.0° |
| N4 | C20 | C21 | H34 | 118.8° | 120.0° |
| N4 | C20 | C25 | H34 | 119.0° | 120.0° |
| N4 | C20 | C21 | C22 | 156.8° | 180.0° |
| N4 | C20 | C25 | C24 | 173.2° | 180.0° |
| N4 | C20 | C25 | H35 | 52.9° | 59.9° |
| N4 | C20 | C25 | H36 | 66.6° | 59.9° |
| N4 | C20 | C21 | H43 | 36.4° | 60.0° |
| N4 | C20 | C21 | H44 | 82.8° | 60.0° |
| C21 | C20 | C25 | H34 | 118.4° | 120.0° |
| C20 | C21 | C22 | H43 | 120.3° | 120.0° |
| C20 | C21 | C22 | H44 | 120.4° | 120.0° |
| C20 | C21 | C22 | C23 | 27.0° | 60.0° |
| C21 | C20 | C25 | C24 | 64.2° | 60.1° |
| C21 | C20 | N4 | H11 | 55.5° | 25.0° |
| C21 | C20 | C25 | H35 | 175.5° | 179.9° |
| C21 | C20 | C25 | H36 | 56.1° | 60.0° |
| C20 | C21 | C22 | H41 | 93.4° | 59.9° |
| C20 | C21 | C22 | H42 | 147.3° | 180.0° |
| C20 | C21 | H43 | H44 | 118.9° | 120.0° |
| C25 | C20 | C21 | C22 | 34.0° | 60.0° |
| C20 | C25 | C24 | C23 | 28.3° | 60.0° |
| C20 | C25 | C24 | H35 | 120.3° | 120.0° |
| C20 | C25 | C24 | H36 | 120.3° | 120.0° |
| C25 | C20 | N4 | H11 | 67.5° | 95.0° |
| C20 | C25 | H35 | H36 | 119.1° | 119.9° |
| C20 | C25 | C24 | H37 | 148.6° | 59.9° |
| C20 | C25 | C24 | H38 | 92.1° | 180.0° |
| C25 | C20 | C21 | H43 | 86.4° | 60.0° |
| C25 | C20 | C21 | H44 | 154.3° | 180.0° |
| N3 | C17 | O1 | C14 | 179.1° | 180.0° |
| N3 | C17 | C14 | C15 | 26.2° | 0.0° |
| N3 | C17 | C14 | C13 | 157.4° | 180.0° |
| C17 | N3 | C18 | H18 | 27.8° | 35.0° |
| C21 | C22 | C23 | C24 | 63.0° | 60.1° |
| C21 | C22 | C23 | H41 | 120.4° | 120.0° |
| C21 | C22 | C23 | H42 | 120.3° | 120.0° |
| C22 | C21 | C20 | H34 | 84.4° | 60.0° |
| C21 | C22 | C23 | H39 | 57.3° | 179.9° |
| C21 | C22 | C23 | H40 | 176.8° | 60.0° |
| C21 | C22 | H41 | H42 | 118.9° | 120.0° |
| C22 | C21 | H43 | H44 | 118.9° | 120.0° |
| C24 | C23 | C22 | H39 | 120.3° | 119.9° |
| C24 | C23 | C22 | H40 | 120.3° | 120.0° |
| C23 | C24 | C25 | H37 | 120.4° | 120.0° |
| C23 | C24 | C25 | H38 | 120.4° | 119.9° |
| C23 | C24 | C25 | H35 | 148.6° | 180.0° |
| C23 | C24 | C25 | H36 | 92.0° | 60.0° |
| C23 | C24 | H37 | H38 | 118.9° | 120.0° |
| C24 | C23 | H39 | H40 | 119.1° | 120.0° |
| C24 | C23 | C22 | H41 | 57.4° | 59.9° |
| C24 | C23 | C22 | H42 | 176.7° | 179.9° |
| C22 | C23 | C24 | C25 | 32.7° | 60.0° |
| C22 | C23 | C24 | H37 | 87.7° | 60.0° |
| C22 | C23 | C24 | H38 | 153.1° | 179.9° |
| C22 | C23 | H39 | H40 | 119.1° | 120.1° |
| C23 | C22 | H41 | H42 | 118.9° | 120.0° |
| C23 | C22 | C21 | H43 | 147.3° | 60.0° |
| C23 | C22 | C21 | H44 | 93.4° | 180.0° |
| C24 | C25 | C20 | H34 | 54.2° | 60.0° |
| C24 | C25 | H35 | H36 | 119.1° | 120.1° |
| C25 | C24 | H37 | H38 | 118.9° | 120.0° |
| C25 | C24 | C23 | H39 | 87.6° | 180.0° |
| C25 | C24 | C23 | H40 | 152.9° | 60.0° |
| O1 | C17 | C14 | C15 | 154.6° | 180.0° |
| O1 | C17 | C14 | C13 | 21.8° | 0.0° |
| O1 | C17 | N3 | H8 | 175.4° | 180.0° |
| C17 | C14 | C15 | C13 | 176.4° | 180.0° |
| C17 | C14 | C15 | C16 | 172.7° | 179.8° |
| C17 | C14 | C13 | C12 | 170.4° | 180.0° |
| C14 | C17 | N3 | H8 | 3.7° | 0.0° |
| C17 | C14 | C13 | H9 | 9.6° | 0.0° |
| C17 | C14 | C15 | H10 | 7.3° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 1.5° | 0.4° |
| C15 | C14 | C13 | C12 | 6.2° | 0.0° |
| C15 | C14 | C13 | H9 | 173.8° | 180.0° |
| C14 | C15 | C16 | H17 | 178.5° | 180.0° |
| C16 | C15 | C14 | C13 | 3.7° | 0.2° |
| C15 | C16 | C11 | H17 | 180.0° | 179.6° |
| C15 | C16 | C11 | C12 | 4.3° | 0.4° |
| C15 | C16 | C11 | C10 | 177.2° | 179.8° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 3.4° | 0.0° |
| C14 | C13 | C12 | H7 | 176.6° | 180.0° |
| C13 | C14 | C15 | H10 | 176.2° | 180.0° |
| C16 | C11 | C12 | C13 | 1.8° | 0.2° |
| C16 | C11 | C12 | C10 | 178.5° | 179.8° |
| C16 | C11 | C10 | N2 | 170.6° | 90.2° |
| C16 | C11 | C10 | H5 | 68.8° | 149.8° |
| C16 | C11 | C10 | H6 | 50.1° | 29.8° |
| C16 | C11 | C12 | H7 | 178.2° | 179.8° |
| C11 | C16 | C15 | H10 | 178.5° | 179.7° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C12 | C11 | C10 | N2 | 10.9° | 90.0° |
| C12 | C11 | C10 | H5 | 109.7° | 30.0° |
| C12 | C11 | C10 | H6 | 131.5° | 150.0° |
| C11 | C12 | C13 | H9 | 176.5° | 180.0° |
| C12 | C11 | C16 | H17 | 175.7° | 180.0° |
| C11 | C10 | N2 | H5 | 120.6° | 119.9° |
| C11 | C10 | N2 | H6 | 120.6° | 120.0° |
| C11 | C10 | N2 | C9 | 85.0° | 180.0° |
| C11 | C10 | N2 | H4 | 95.1° | 0.0° |
| C11 | C10 | H5 | H6 | 118.2° | 120.0° |
| C10 | C11 | C12 | H7 | 0.3° | 0.0° |
| C10 | C11 | C16 | H17 | 2.8° | 0.2° |
| C10 | N2 | C9 | H4 | 180.0° | 180.0° |
| C10 | N2 | C9 | O2 | 2.9° | 0.0° |
| C10 | N2 | C9 | C8 | 178.8° | 180.0° |
| N2 | C10 | H5 | H6 | 118.2° | 120.0° |
| N2 | C9 | O2 | C8 | 175.6° | 180.0° |
| N2 | C9 | C8 | C6 | 6.4° | 0.0° |
| N2 | C9 | C8 | C7 | 176.8° | 180.0° |
| C9 | N2 | C10 | H5 | 35.6° | 60.1° |
| C9 | N2 | C10 | H6 | 154.4° | 60.0° |
| O2 | C9 | C8 | C6 | 169.6° | 180.0° |
| O2 | C9 | C8 | C7 | 0.8° | 0.0° |
| O2 | C9 | N2 | H4 | 177.1° | 180.0° |
| C9 | C8 | C6 | C7 | 172.0° | 180.0° |
| C9 | C8 | C6 | N1 | 170.4° | 180.0° |
| C9 | C8 | C7 | N | 169.8° | 180.0° |
| C9 | C8 | C7 | N5 | 10.0° | 0.1° |
| C9 | C8 | C6 | H3 | 9.6° | 0.2° |
| C8 | C9 | N2 | H4 | 1.3° | 0.0° |
| C8 | C6 | N1 | H3 | 180.0° | 179.8° |
| C8 | C6 | N1 | N | 0.0° | 0.0° |
| C6 | C8 | C7 | N | 2.4° | 0.0° |
| C6 | C8 | C7 | N5 | 177.7° | 179.9° |
| N1 | C6 | C8 | C7 | 1.6° | 0.0° |
| C6 | N1 | N | C7 | 1.6° | 0.0° |
| C6 | N1 | N | C3 | 169.6° | 180.0° |
| C8 | C7 | N | N1 | 2.6° | 0.0° |
| C8 | C7 | N | N5 | 179.9° | 179.9° |
| C8 | C7 | N | C3 | 167.4° | 180.0° |
| C7 | C8 | C6 | H3 | 178.4° | 179.8° |
| C8 | C7 | N5 | H12 | 180.0° | 180.0° |
| C8 | C7 | N5 | H13 | 60.0° | 0.1° |
| N1 | N | C7 | C3 | 170.1° | 180.0° |
| N1 | N | C7 | N5 | 177.5° | 179.9° |
| N1 | N | C3 | C2 | 74.0° | 145.1° |
| N1 | N | C3 | C4 | 103.9° | 34.9° |
| N | N1 | C6 | H3 | 180.0° | 179.8° |
| C7 | N | C3 | C2 | 95.5° | 35.0° |
| C7 | N | C3 | C4 | 86.6° | 145.0° |
| N | C7 | N5 | H12 | 0.2° | 0.1° |
| N | C7 | N5 | H13 | 119.8° | 180.0° |
| N5 | C7 | N | C3 | 12.4° | 0.0° |
| C7 | N5 | H12 | H13 | 120.0° | 179.9° |
| N | C3 | C2 | C4 | 177.9° | 180.0° |
| N | C3 | C2 | C1 | 177.6° | 180.0° |
| N | C3 | C4 | C5 | 177.6° | 180.0° |
| N | C3 | C4 | H1 | 2.4° | 0.2° |
| N | C3 | C2 | H14 | 2.4° | 0.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.2° | 0.2° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H1 | 179.7° | 179.7° |
| C3 | C2 | C1 | H15 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C | H15 | 180.0° | 179.7° |
| C2 | C1 | C | C5 | 0.1° | 0.5° |
| C2 | C1 | C | H16 | 179.9° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C | 0.2° | 0.2° |
| C3 | C4 | C5 | H2 | 179.8° | 179.8° |
| C4 | C3 | C2 | H14 | 179.7° | 180.0° |
| C1 | C | C5 | C4 | 0.1° | 0.5° |
| C1 | C | C5 | H16 | 180.0° | 179.5° |
| C1 | C | C5 | H2 | 179.9° | 179.5° |
| C | C1 | C2 | H14 | 179.8° | 179.7° |
| C4 | C5 | C | H2 | 180.0° | 180.0° |
| C4 | C5 | C | H16 | 179.9° | 180.0° |
| C | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C | C1 | H15 | 179.8° | 179.8° |
| H1 | C4 | C5 | H2 | 0.2° | 0.0° |
| H2 | C5 | C | H16 | 0.1° | 0.0° |
| H4 | N2 | C10 | H5 | 144.4° | 119.9° |
| H4 | N2 | C10 | H6 | 25.5° | 120.0° |
| H7 | C12 | C13 | H9 | 3.5° | 0.0° |
| H8 | N3 | C18 | H18 | 152.2° | 145.0° |
| H10 | C15 | C16 | H17 | 1.5° | 0.1° |
| H11 | N4 | C20 | H34 | 173.9° | 145.1° |
| H14 | C2 | C1 | H15 | 0.3° | 0.0° |
| H15 | C1 | C | H16 | 0.2° | 0.3° |
| H18 | C18 | C26 | H19 | 171.4° | 175.0° |
| H18 | C18 | C26 | H20 | 71.3° | 65.0° |
| H19 | C26 | C27 | H21 | 53.6° | 180.0° |
| H19 | C26 | C27 | H22 | 64.3° | 60.0° |
| H20 | C26 | C27 | H21 | 171.0° | 60.0° |
| H20 | C26 | C27 | H22 | 53.1° | 180.0° |
| H21 | C27 | C28 | H23 | 65.9° | 64.9° |
| H22 | C27 | C28 | H23 | 176.2° | 175.1° |
| H23 | C28 | C33 | H24 | 53.3° | 59.9° |
| H23 | C28 | C33 | H25 | 172.3° | 180.0° |
| H23 | C28 | C29 | H32 | 53.0° | 180.0° |
| H23 | C28 | C29 | H33 | 171.9° | 60.0° |
| H24 | C33 | C32 | H26 | 63.6° | 60.0° |
| H24 | C33 | C32 | H27 | 56.0° | 60.0° |
| H25 | C33 | C32 | H26 | 55.4° | NaN° |
| H25 | C33 | C32 | H27 | 175.0° | 60.0° |
| H26 | C32 | C31 | H28 | 57.8° | 60.1° |
| H26 | C32 | C31 | H29 | 61.9° | NaN° |
| H27 | C32 | C31 | H28 | 177.4° | 59.9° |
| H27 | C32 | C31 | H29 | 57.6° | 60.0° |
| H28 | C31 | C30 | H30 | 57.6° | 60.0° |
| H28 | C31 | C30 | H31 | 177.0° | 60.0° |
| H29 | C31 | C30 | H30 | 62.1° | 180.0° |
| H29 | C31 | C30 | H31 | 57.3° | 60.0° |
| H30 | C30 | C29 | H32 | 64.0° | 180.0° |
| H30 | C30 | C29 | H33 | 54.9° | 60.0° |
| H31 | C30 | C29 | H32 | 55.4° | 60.0° |
| H31 | C30 | C29 | H33 | 174.3° | 60.0° |
| H34 | C20 | C25 | H35 | 66.1° | 60.0° |
| H34 | C20 | C25 | H36 | 174.5° | 179.9° |
| H34 | C20 | C21 | H43 | 155.2° | 180.0° |
| H34 | C20 | C21 | H44 | 36.0° | 60.0° |
| H35 | C25 | C24 | H37 | 91.1° | 60.0° |
| H35 | C25 | C24 | H38 | 28.2° | 60.1° |
| H36 | C25 | C24 | H37 | 28.4° | 180.0° |
| H36 | C25 | C24 | H38 | 147.6° | 59.9° |
| H37 | C24 | C23 | H39 | 152.0° | 60.0° |
| H37 | C24 | C23 | H40 | 32.6° | 180.0° |
| H38 | C24 | C23 | H39 | 32.7° | 60.1° |
| H38 | C24 | C23 | H40 | 86.7° | 59.9° |
| H39 | C23 | C22 | H41 | 177.7° | 60.0° |
| H39 | C23 | C22 | H42 | 63.0° | 60.1° |
| H40 | C23 | C22 | H41 | 62.9° | 180.0° |
| H40 | C23 | C22 | H42 | 56.4° | 60.0° |
| H41 | C22 | C21 | H43 | 27.0° | 180.0° |
| H41 | C22 | C21 | H44 | 146.2° | 60.0° |
| H42 | C22 | C21 | H43 | 92.3° | 60.0° |
| H42 | C22 | C21 | H44 | 27.0° | 60.0° |
