BDW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | C3 | sing | 1.51Å | 1.54Å | |
| C1 | C4 | sing | 1.53Å | 1.55Å | |
| C1 | C5 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.37Å | 1.36Å | |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C2 | N2 | sing | 1.37Å | 1.35Å | |
| C2 | N3 | doub | 1.30Å | 1.34Å | |
| N2 | C3 | sing | 1.35Å | 1.34Å | |
| N2 | C7 | sing | 1.46Å | 1.47Å | |
| O2 | C25 | doub | 1.22Å | 1.23Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| N4 | C22 | sing | 1.46Å | 1.47Å | |
| N4 | C23 | sing | 1.47Å | 1.45Å | |
| N4 | C25 | sing | 1.34Å | 1.34Å | |
| C5 | C19 | sing | 1.53Å | 1.52Å | |
| N5 | C24 | sing | 1.47Å | 1.47Å | |
| N5 | C25 | sing | 1.34Å | 1.34Å | |
| C6 | C14 | sing | 1.53Å | 1.53Å | |
| C6 | C18 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C22 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C29 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C34 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C3 | 102.3° | 104.4° |
| N1 | C1 | C4 | 111.1° | 110.5° |
| N1 | C1 | C5 | 111.7° | 110.5° |
| C1 | N1 | C2 | 106.9° | 106.6° |
| C1 | N1 | HN1 | 126.5° | 126.7° |
| C3 | C1 | C4 | 111.3° | 110.4° |
| C3 | C1 | C5 | 110.1° | 110.4° |
| C1 | C3 | O1 | 125.1° | 126.7° |
| C1 | C3 | N2 | 108.0° | 106.5° |
| C4 | C1 | C5 | 110.0° | 110.5° |
| C1 | C4 | C6 | 115.4° | 109.5° |
| C1 | C4 | H4 | 107.5° | 109.4° |
| C1 | C4 | H4A | 107.5° | 109.5° |
| C1 | C5 | C19 | 112.5° | 109.5° |
| C1 | C5 | H5 | 108.5° | 109.5° |
| C1 | C5 | H5A | 108.5° | 109.4° |
| N1 | C2 | N2 | 113.6° | 111.2° |
| N1 | C2 | N3 | 124.4° | 124.4° |
| C2 | N1 | HN1 | 126.5° | 126.7° |
| O1 | C3 | N2 | 126.9° | 126.7° |
| N2 | C2 | N3 | 122.0° | 124.4° |
| C2 | N2 | C3 | 109.2° | 111.2° |
| C2 | N2 | C7 | 126.0° | 124.4° |
| C2 | N3 | HN3 | 112.0° | 120.0° |
| C3 | N2 | C7 | 124.8° | 124.4° |
| N2 | C7 | C8 | 111.3° | 109.5° |
| N2 | C7 | H7 | 108.9° | 109.4° |
| N2 | C7 | H7A | 108.9° | 109.5° |
| O2 | C25 | N4 | 124.3° | 123.0° |
| O2 | C25 | N5 | 125.2° | 123.1° |
| C4 | C6 | C14 | 111.2° | 109.5° |
| C4 | C6 | C18 | 109.4° | 109.4° |
| C6 | C4 | H4 | 107.5° | 109.5° |
| C6 | C4 | H4A | 107.6° | 109.5° |
| C4 | C6 | H6 | 108.9° | 109.5° |
| C22 | N4 | C23 | 119.2° | 125.4° |
| C22 | N4 | C25 | 125.9° | 125.5° |
| N4 | C22 | C11 | 112.0° | 109.5° |
| N4 | C22 | H22 | 108.6° | 109.5° |
| N4 | C22 | H22A | 108.6° | 109.5° |
| C23 | N4 | C25 | 114.9° | 109.2° |
| N4 | C23 | C24 | 99.4° | 103.8° |
| N4 | C23 | H23 | 113.0° | 110.5° |
| N4 | C23 | H23A | 113.0° | 110.5° |
| N4 | C25 | N5 | 110.6° | 114.0° |
| C5 | C19 | C29 | 113.3° | 109.4° |
| C19 | C5 | H5 | 108.5° | 109.5° |
| C19 | C5 | H5A | 108.5° | 109.5° |
| C5 | C19 | H19 | 108.2° | 109.4° |
| C5 | C19 | H19A | 108.2° | 109.5° |
| C24 | N5 | C25 | 108.8° | 109.2° |
| N5 | C24 | C23 | 106.3° | 103.9° |
| N5 | C24 | C26 | 110.0° | 110.6° |
| C24 | N5 | HN5 | 125.6° | 125.4° |
| N5 | C24 | H24 | 110.7° | 110.6° |
| C25 | N5 | HN5 | 125.6° | 125.4° |
| C14 | C6 | C18 | 110.9° | 109.4° |
| C6 | C14 | C15 | 113.7° | 109.5° |
| C14 | C6 | H6 | 107.3° | 109.5° |
| C6 | C14 | H14 | 108.1° | 109.5° |
| C6 | C14 | H14A | 108.1° | 109.5° |
| C6 | C18 | C17 | 115.6° | 109.5° |
| C18 | C6 | H6 | 109.1° | 109.5° |
| C6 | C18 | H18 | 107.5° | 109.5° |
| C6 | C18 | H18A | 107.5° | 109.5° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C7 | C8 | C13 | 119.8° | 120.0° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C8 | C7 | H7A | 108.9° | 109.5° |
| C9 | C8 | C13 | 119.7° | 120.0° |
| C8 | C9 | C10 | 120.1° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C8 | C13 | C12 | 120.1° | 120.0° |
| C8 | C13 | H13 | 119.9° | 120.0° |
| C9 | C10 | C11 | 120.3° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.2° | 120.0° |
| C10 | C11 | C22 | 119.6° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C12 | C11 | C22 | 121.2° | 120.0° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C11 | C22 | H22 | 108.6° | 109.4° |
| C11 | C22 | H22A | 108.6° | 109.5° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C14 | C15 | C16 | 111.2° | 109.5° |
| C15 | C14 | H14 | 108.1° | 109.5° |
| C15 | C14 | H14A | 108.1° | 109.5° |
| C14 | C15 | H15 | 108.9° | 109.4° |
| C14 | C15 | H15A | 108.9° | 109.5° |
| C15 | C16 | C17 | 109.8° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H15A | 108.9° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C15 | C16 | H16A | 109.4° | 109.5° |
| C16 | C17 | C18 | 111.1° | 109.4° |
| C17 | C16 | H16 | 109.4° | 109.5° |
| C17 | C16 | H16A | 109.4° | 109.5° |
| C16 | C17 | H17 | 109.0° | 109.5° |
| C16 | C17 | H17A | 108.9° | 109.4° |
| C18 | C17 | H17 | 108.9° | 109.5° |
| C18 | C17 | H17A | 108.9° | 109.5° |
| C17 | C18 | H18 | 107.5° | 109.5° |
| C17 | C18 | H18A | 107.5° | 109.4° |
| C19 | C29 | C30 | 110.1° | 109.4° |
| C19 | C29 | C34 | 111.0° | 109.5° |
| C29 | C19 | H19 | 108.2° | 109.5° |
| C29 | C19 | H19A | 108.2° | 109.5° |
| C19 | C29 | H29 | 108.5° | 109.4° |
| C23 | C24 | C26 | 107.9° | 110.3° |
| C24 | C23 | H23 | 113.0° | 110.6° |
| C24 | C23 | H23A | 112.9° | 110.5° |
| C23 | C24 | H24 | 112.7° | 110.8° |
| C24 | C26 | C27 | 117.4° | 109.5° |
| C26 | C24 | H24 | 109.2° | 110.6° |
| C24 | C26 | H26 | 106.9° | 109.4° |
| C24 | C26 | H26A | 106.9° | 109.5° |
| C26 | C27 | C28 | 111.5° | 109.5° |
| C27 | C26 | H26 | 106.9° | 109.4° |
| C27 | C26 | H26A | 106.9° | 109.5° |
| C26 | C27 | H27 | 108.8° | 109.5° |
| C26 | C27 | H27A | 108.8° | 109.5° |
| C28 | C27 | H27 | 108.8° | 109.5° |
| C28 | C27 | H27A | 108.8° | 109.4° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| C27 | C28 | H28B | 109.5° | 109.5° |
| C30 | C29 | C34 | 111.0° | 109.5° |
| C29 | C30 | C31 | 112.9° | 109.4° |
| C30 | C29 | H29 | 108.5° | 109.5° |
| C29 | C30 | H30 | 108.3° | 109.5° |
| C29 | C30 | H30A | 108.4° | 109.5° |
| C29 | C34 | C33 | 114.0° | 109.5° |
| C34 | C29 | H29 | 107.6° | 109.5° |
| C29 | C34 | H34 | 108.0° | 109.5° |
| C29 | C34 | H34A | 108.0° | 109.5° |
| C30 | C31 | C32 | 111.2° | 109.4° |
| C31 | C30 | H30 | 108.4° | 109.4° |
| C31 | C30 | H30A | 108.3° | 109.5° |
| C30 | C31 | H31 | 108.9° | 109.5° |
| C30 | C31 | H31A | 108.9° | 109.4° |
| C31 | C32 | C33 | 112.6° | 109.5° |
| C32 | C31 | H31 | 108.9° | 109.5° |
| C32 | C31 | H31A | 108.9° | 109.4° |
| C31 | C32 | H32 | 108.4° | 109.5° |
| C31 | C32 | H32A | 108.5° | 109.5° |
| C32 | C33 | C34 | 112.4° | 109.5° |
| C33 | C32 | H32 | 108.4° | 109.5° |
| C33 | C32 | H32A | 108.4° | 109.5° |
| C32 | C33 | H33 | 108.5° | 109.5° |
| C32 | C33 | H33A | 108.5° | 109.5° |
| C34 | C33 | H33 | 108.5° | 109.5° |
| C34 | C33 | H33A | 108.5° | 109.5° |
| C33 | C34 | H34 | 108.0° | 109.5° |
| C33 | C34 | H34A | 108.0° | 109.5° |
| H4 | C4 | H4A | 111.3° | 109.4° |
| H5 | C5 | H5A | 110.5° | 109.5° |
| H7 | C7 | H7A | 110.1° | 109.4° |
| H14 | C14 | H14A | 110.8° | 109.4° |
| H15 | C15 | H15A | 110.0° | 109.5° |
| H16 | C16 | H16A | 109.6° | 109.4° |
| H17 | C17 | H17A | 110.0° | 109.5° |
| H18 | C18 | H18A | 111.4° | 109.5° |
| H19 | C19 | H19A | 110.7° | 109.5° |
| H22 | C22 | H22A | 110.3° | 109.4° |
| H23 | C23 | H23A | 105.8° | 110.6° |
| H26 | C26 | H26A | 111.9° | 109.5° |
| H27 | C27 | H27A | 110.1° | 109.4° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H30 | C30 | H30A | 110.6° | 109.4° |
| H31 | C31 | H31A | 110.0° | 109.5° |
| H32 | C32 | H32A | 110.5° | 109.5° |
| H33 | C33 | H33A | 110.4° | 109.4° |
| H34 | C34 | H34A | 110.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C3 | C4 | 118.8° | 118.7° |
| N1 | C1 | C3 | C5 | 118.9° | 118.7° |
| N1 | C1 | C4 | C5 | 124.3° | 122.6° |
| C1 | N1 | C2 | HN1 | 180.0° | 179.9° |
| N1 | C1 | C3 | O1 | 179.9° | 180.0° |
| C1 | N1 | C2 | N2 | 0.3° | 0.0° |
| C1 | N1 | C2 | N3 | 179.7° | 179.9° |
| N1 | C1 | C3 | N2 | 0.1° | 0.0° |
| N1 | C1 | C4 | C6 | 64.9° | 53.1° |
| N1 | C1 | C5 | C19 | 66.8° | 59.3° |
| N1 | C1 | C4 | H4 | 55.1° | 66.9° |
| N1 | C1 | C4 | H4A | 175.1° | 173.2° |
| N1 | C1 | C5 | H5 | 173.2° | 179.3° |
| N1 | C1 | C5 | H5A | 53.2° | 60.7° |
| C3 | C1 | C4 | C5 | 122.4° | 122.5° |
| C3 | C1 | N1 | C2 | 0.2° | 0.0° |
| C1 | C3 | O1 | N2 | 180.0° | 179.9° |
| C1 | C3 | N2 | C2 | 0.1° | 0.0° |
| C1 | C3 | N2 | C7 | 179.6° | 180.0° |
| C3 | C1 | C4 | C6 | 48.5° | 61.9° |
| C3 | C1 | C5 | C19 | 46.2° | 55.7° |
| C3 | C1 | N1 | HN1 | 179.8° | 179.9° |
| C3 | C1 | C4 | H4 | 168.4° | 178.1° |
| C3 | C1 | C4 | H4A | 71.5° | 58.2° |
| C3 | C1 | C5 | H5 | 73.7° | 64.3° |
| C3 | C1 | C5 | H5A | 166.3° | 175.7° |
| C4 | C1 | N1 | C2 | 118.6° | 118.7° |
| C4 | C1 | C3 | O1 | 61.3° | 61.2° |
| C4 | C1 | C3 | N2 | 118.7° | 118.7° |
| C1 | C4 | C6 | H4 | 120.0° | 120.0° |
| C1 | C4 | C6 | H4A | 120.0° | 120.1° |
| C4 | C1 | C5 | C19 | 169.3° | 178.2° |
| C1 | C4 | C6 | C14 | 77.5° | 163.2° |
| C1 | C4 | C6 | C18 | 159.7° | 76.9° |
| C4 | C1 | N1 | HN1 | 61.3° | 61.4° |
| C1 | C4 | H4 | H4A | 117.6° | 120.0° |
| C4 | C1 | C5 | H5 | 49.3° | 58.1° |
| C4 | C1 | C5 | H5A | 70.7° | 61.9° |
| C1 | C4 | C6 | H6 | 40.6° | 43.1° |
| C5 | C1 | N1 | C2 | 118.0° | 118.7° |
| C5 | C1 | C3 | O1 | 61.0° | 61.3° |
| C5 | C1 | C3 | N2 | 119.0° | 118.7° |
| C5 | C1 | C4 | C6 | 170.8° | 175.7° |
| C1 | C5 | C19 | H5 | 120.0° | 120.0° |
| C1 | C5 | C19 | H5A | 120.0° | 120.0° |
| C1 | C5 | C19 | C29 | 169.9° | 180.0° |
| C5 | C1 | N1 | HN1 | 62.0° | 61.2° |
| C5 | C1 | C4 | H4 | 69.2° | 55.7° |
| C5 | C1 | C4 | H4A | 50.8° | 64.2° |
| C1 | C5 | H5 | H5A | 118.7° | 120.0° |
| C1 | C5 | C19 | H19 | 49.9° | 60.0° |
| C1 | C5 | C19 | H19A | 70.1° | 60.0° |
| N1 | C2 | N2 | N3 | 180.0° | 179.9° |
| N1 | C2 | N2 | C3 | 0.2° | 0.0° |
| N1 | C2 | N2 | C7 | 179.8° | 180.0° |
| N1 | C2 | N3 | HN3 | 180.0° | 180.0° |
| O1 | C3 | N2 | C2 | 179.9° | 180.0° |
| O1 | C3 | N2 | C7 | 0.3° | 0.0° |
| C2 | N2 | C3 | C7 | 179.6° | 180.0° |
| C2 | N2 | C7 | C8 | 105.7° | 88.3° |
| N2 | C2 | N1 | HN1 | 179.7° | 179.9° |
| N2 | C2 | N3 | HN3 | 0.0° | 0.0° |
| C2 | N2 | C7 | H7 | 134.3° | 151.7° |
| C2 | N2 | C7 | H7A | 14.3° | 31.7° |
| N3 | C2 | N2 | C3 | 179.8° | 179.9° |
| N3 | C2 | N2 | C7 | 0.2° | 0.1° |
| N3 | C2 | N1 | HN1 | 0.3° | 0.0° |
| C3 | N2 | C7 | C8 | 73.8° | 91.7° |
| C3 | N2 | C7 | H7 | 46.2° | 28.3° |
| C3 | N2 | C7 | H7A | 166.2° | 148.3° |
| N2 | C7 | C8 | H7 | 120.0° | 120.0° |
| N2 | C7 | C8 | H7A | 120.0° | 120.0° |
| N2 | C7 | C8 | C9 | 118.4° | 96.2° |
| N2 | C7 | C8 | C13 | 61.5° | 84.1° |
| N2 | C7 | H7 | H7A | 119.3° | 120.0° |
| O2 | C25 | N4 | C22 | 0.1° | 0.0° |
| O2 | C25 | N4 | C23 | 179.9° | 179.7° |
| O2 | C25 | N4 | N5 | 179.8° | 179.8° |
| O2 | C25 | N5 | C24 | 179.2° | 179.7° |
| O2 | C25 | N5 | HN5 | 0.8° | 0.0° |
| C4 | C6 | C14 | C18 | 122.0° | 119.9° |
| C4 | C6 | C14 | H6 | 118.9° | 120.1° |
| C4 | C6 | C18 | H6 | 119.0° | 120.0° |
| C4 | C6 | C14 | C15 | 168.8° | 180.0° |
| C4 | C6 | C18 | C17 | 168.1° | 180.0° |
| C6 | C4 | H4 | H4A | 117.6° | 120.0° |
| C4 | C6 | C14 | H14 | 71.2° | 60.0° |
| C4 | C6 | C14 | H14A | 48.8° | 59.9° |
| C4 | C6 | C18 | H18 | 48.1° | 60.0° |
| C4 | C6 | C18 | H18A | 71.9° | 60.0° |
| C22 | N4 | C23 | C25 | 179.8° | 179.7° |
| C22 | N4 | C25 | N5 | 179.7° | 179.8° |
| N4 | C22 | C11 | C10 | 179.5° | 90.0° |
| N4 | C22 | C11 | C12 | 0.6° | 90.1° |
| N4 | C22 | C11 | H22 | 120.0° | 120.0° |
| N4 | C22 | C11 | H22A | 120.0° | 120.1° |
| C22 | N4 | C23 | C24 | 179.1° | 180.0° |
| N4 | C22 | H22 | H22A | 118.9° | 120.1° |
| C22 | N4 | C23 | H23 | 59.1° | 61.4° |
| C22 | N4 | C23 | H23A | 60.9° | 61.4° |
| N4 | C23 | C24 | N5 | 0.9° | 0.0° |
| C23 | N4 | C25 | N5 | 0.1° | 0.5° |
| C23 | N4 | C22 | C11 | 100.5° | 90.0° |
| N4 | C23 | C24 | H23 | 120.0° | 118.6° |
| N4 | C23 | C24 | H23A | 120.0° | 118.6° |
| N4 | C23 | C24 | C26 | 117.0° | 118.5° |
| C23 | N4 | C22 | H22 | 139.6° | 150.0° |
| C23 | N4 | C22 | H22A | 19.6° | 30.0° |
| N4 | C23 | H23 | H23A | 124.1° | 122.8° |
| N4 | C23 | C24 | H24 | 122.3° | 118.7° |
| N4 | C25 | N5 | C24 | 0.5° | 0.5° |
| C25 | N4 | C22 | C11 | 79.3° | 90.3° |
| C25 | N4 | C23 | C24 | 0.7° | 0.3° |
| N4 | C25 | N5 | HN5 | 179.5° | 179.8° |
| C25 | N4 | C22 | H22 | 40.7° | 29.7° |
| C25 | N4 | C22 | H22A | 160.7° | 149.7° |
| C25 | N4 | C23 | H23 | 120.7° | 118.9° |
| C25 | N4 | C23 | H23A | 119.3° | 118.3° |
| C5 | C19 | C29 | H19 | 120.0° | 120.0° |
| C5 | C19 | C29 | H19A | 120.0° | 120.0° |
| C5 | C19 | C29 | C30 | 172.8° | 175.0° |
| C5 | C19 | C29 | C34 | 63.9° | 65.0° |
| C19 | C5 | H5 | H5A | 118.7° | 120.0° |
| C5 | C19 | H19 | H19A | 118.4° | 120.0° |
| C5 | C19 | C29 | H29 | 54.1° | 55.1° |
| C24 | N5 | C25 | HN5 | 180.0° | 179.7° |
| N5 | C24 | C23 | C26 | 118.0° | 118.5° |
| N5 | C24 | C23 | H24 | 121.4° | 118.7° |
| N5 | C24 | C26 | H24 | 121.6° | 122.8° |
| N5 | C24 | C26 | C27 | 24.3° | 66.5° |
| N5 | C24 | C23 | H23 | 120.9° | 118.6° |
| N5 | C24 | C23 | H23A | 119.1° | 118.6° |
| N5 | C24 | C26 | H26 | 95.7° | 53.5° |
| N5 | C24 | C26 | H26A | 144.3° | 173.5° |
| C25 | N5 | C24 | C23 | 0.9° | 0.3° |
| C25 | N5 | C24 | C26 | 115.6° | 118.6° |
| C25 | N5 | C24 | H24 | 123.6° | 118.6° |
| C14 | C6 | C18 | H6 | 118.0° | 120.0° |
| C6 | C14 | C15 | H14 | 120.0° | 120.0° |
| C6 | C14 | C15 | H14A | 120.0° | 120.1° |
| C6 | C14 | C15 | C16 | 55.7° | 60.0° |
| C14 | C6 | C18 | C17 | 45.1° | 60.0° |
| C14 | C6 | C4 | H4 | 42.5° | 43.2° |
| C14 | C6 | C4 | H4A | 162.6° | 76.7° |
| C6 | C14 | H14 | H14A | 118.2° | 120.0° |
| C6 | C14 | C15 | H15 | 64.3° | 60.0° |
| C6 | C14 | C15 | H15A | 175.7° | 180.0° |
| C14 | C6 | C18 | H18 | 74.9° | 60.0° |
| C14 | C6 | C18 | H18A | 165.2° | 180.0° |
| C18 | C6 | C14 | C15 | 46.8° | 60.0° |
| C6 | C18 | C17 | C16 | 51.2° | 60.0° |
| C6 | C18 | C17 | H18 | 120.0° | 120.1° |
| C6 | C18 | C17 | H18A | 120.0° | 120.0° |
| C18 | C6 | C4 | H4 | 80.3° | 163.2° |
| C18 | C6 | C4 | H4A | 39.7° | 43.2° |
| C18 | C6 | C14 | H14 | 166.9° | 179.9° |
| C18 | C6 | C14 | H14A | 73.2° | 60.0° |
| C6 | C18 | C17 | H17 | 68.8° | 59.9° |
| C6 | C18 | C17 | H17A | 171.1° | 180.0° |
| C6 | C18 | H18 | H18A | 117.5° | 120.0° |
| C7 | C8 | C9 | C13 | 179.9° | 179.8° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C7 | C8 | C13 | C12 | 179.9° | 179.8° |
| C8 | C7 | H7 | H7A | 119.3° | 120.0° |
| C7 | C8 | C9 | H9 | 0.1° | 0.1° |
| C7 | C8 | C13 | H13 | 0.1° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C8 | C13 | C12 | 0.0° | 0.5° |
| C9 | C8 | C7 | H7 | 1.6° | 23.8° |
| C9 | C8 | C7 | H7A | 121.6° | 143.8° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C8 | C13 | H13 | 180.0° | 179.7° |
| C13 | C8 | C9 | C10 | 0.0° | 0.2° |
| C8 | C13 | C12 | C11 | 0.0° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C13 | C8 | C7 | H7 | 178.5° | 156.0° |
| C13 | C8 | C7 | H7A | 58.5° | 36.0° |
| C13 | C8 | C9 | H9 | 180.0° | 179.8° |
| C8 | C13 | C12 | H12 | 180.0° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C9 | C10 | C11 | C22 | 179.9° | 180.0° |
| C10 | C11 | C12 | C22 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.2° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | C22 | H22 | 60.5° | 30.0° |
| C10 | C11 | C22 | H22A | 59.5° | 149.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.7° |
| C12 | C11 | C22 | H22 | 119.4° | 149.9° |
| C12 | C11 | C22 | H22A | 120.6° | 30.0° |
| C22 | C11 | C12 | C13 | 179.9° | 179.8° |
| C22 | C11 | C10 | H10 | 0.1° | 0.0° |
| C22 | C11 | C12 | H12 | 0.1° | 0.1° |
| C11 | C22 | H22 | H22A | 119.0° | 119.9° |
| C14 | C15 | C16 | H15 | 120.0° | 119.9° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 59.8° | 60.0° |
| C15 | C14 | C6 | H6 | 72.3° | 60.0° |
| C15 | C14 | H14 | H14A | 118.3° | 120.0° |
| C14 | C15 | H15 | H15A | 119.3° | 120.0° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| C14 | C15 | C16 | H16A | 60.2° | 60.1° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 57.0° | 60.0° |
| C16 | C15 | C14 | H14 | 175.7° | 180.0° |
| C16 | C15 | C14 | H14A | 64.3° | 60.1° |
| C16 | C15 | H15 | H15A | 119.3° | 120.0° |
| C15 | C16 | H16 | H16A | 119.9° | 120.0° |
| C15 | C16 | C17 | H17 | 63.0° | 60.0° |
| C15 | C16 | C17 | H17A | 177.0° | 180.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 119.9° |
| C17 | C16 | C15 | H15 | 60.2° | 59.9° |
| C17 | C16 | C15 | H15A | 179.8° | 180.0° |
| C17 | C16 | H16 | H16A | 119.9° | 120.0° |
| C16 | C17 | H17 | H17A | 119.3° | 120.0° |
| C16 | C17 | C18 | H18 | 68.8° | 60.0° |
| C16 | C17 | C18 | H18A | 171.2° | 180.0° |
| C17 | C18 | C6 | H6 | 72.9° | 60.0° |
| C18 | C17 | C16 | H16 | 177.0° | 180.0° |
| C18 | C17 | C16 | H16A | 63.0° | 60.0° |
| C18 | C17 | H17 | H17A | 119.4° | 120.0° |
| C17 | C18 | H18 | H18A | 117.5° | 119.9° |
| C19 | C29 | C30 | C34 | 123.3° | 120.0° |
| C19 | C29 | C30 | H29 | 118.6° | 119.9° |
| C19 | C29 | C34 | H29 | 118.6° | 120.0° |
| C19 | C29 | C30 | C31 | 176.7° | 180.0° |
| C19 | C29 | C34 | C33 | 173.3° | 180.0° |
| C29 | C19 | C5 | H5 | 70.1° | 60.0° |
| C29 | C19 | C5 | H5A | 49.9° | 60.0° |
| C29 | C19 | H19 | H19A | 118.4° | 120.1° |
| C19 | C29 | C30 | H30 | 63.3° | 60.0° |
| C19 | C29 | C30 | H30A | 56.7° | 60.0° |
| C19 | C29 | C34 | H34 | 53.3° | 60.0° |
| C19 | C29 | C34 | H34A | 66.7° | 60.0° |
| C23 | C24 | C26 | H24 | 122.8° | 122.9° |
| C23 | C24 | C26 | C27 | 139.9° | 179.2° |
| C23 | C24 | N5 | HN5 | 179.1° | 180.0° |
| C24 | C23 | H23 | H23A | 124.0° | 122.8° |
| C23 | C24 | C26 | H26 | 19.9° | 60.8° |
| C23 | C24 | C26 | H26A | 100.1° | 59.2° |
| C24 | C26 | C27 | H26 | 120.0° | 119.9° |
| C24 | C26 | C27 | H26A | 120.0° | 120.0° |
| C24 | C26 | C27 | C28 | 170.8° | 180.0° |
| C26 | C24 | N5 | HN5 | 64.3° | 61.7° |
| C26 | C24 | C23 | H23 | 3.0° | 0.1° |
| C26 | C24 | C23 | H23A | 122.9° | 122.9° |
| C24 | C26 | H26 | H26A | 116.8° | 120.0° |
| C24 | C26 | C27 | H27 | 69.2° | 60.0° |
| C24 | C26 | C27 | H27A | 50.7° | 60.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C27 | C26 | C24 | H24 | 97.3° | 56.4° |
| C27 | C26 | H26 | H26A | 116.7° | 120.0° |
| C26 | C27 | H27 | H27A | 119.1° | 120.0° |
| C26 | C27 | C28 | H28 | 180.0° | 60.0° |
| C26 | C27 | C28 | H28A | 60.0° | 180.0° |
| C26 | C27 | C28 | H28B | 60.0° | 60.0° |
| C28 | C27 | C26 | H26 | 50.8° | 60.0° |
| C28 | C27 | C26 | H26A | 69.2° | 60.0° |
| C28 | C27 | H27 | H27A | 119.2° | 119.9° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 120.0° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C30 | C29 | C34 | H29 | 118.6° | 120.1° |
| C29 | C30 | C31 | H30 | 120.0° | 120.0° |
| C29 | C30 | C31 | H30A | 120.0° | 120.0° |
| C29 | C30 | C31 | C32 | 55.2° | 60.0° |
| C30 | C29 | C34 | C33 | 50.4° | 60.0° |
| C30 | C29 | C19 | H19 | 52.8° | 55.1° |
| C30 | C29 | C19 | H19A | 67.2° | 65.0° |
| C29 | C30 | H30 | H30A | 118.6° | 120.0° |
| C29 | C30 | C31 | H31 | 64.8° | 60.0° |
| C29 | C30 | C31 | H31A | 175.2° | 180.0° |
| C30 | C29 | C34 | H34 | 69.5° | 60.0° |
| C30 | C29 | C34 | H34A | 170.4° | 180.0° |
| C34 | C29 | C30 | C31 | 53.3° | 60.1° |
| C29 | C34 | C33 | C32 | 49.5° | 60.0° |
| C29 | C34 | C33 | H34 | 120.0° | 120.1° |
| C29 | C34 | C33 | H34A | 120.0° | 120.0° |
| C34 | C29 | C19 | H19 | 176.1° | 175.0° |
| C34 | C29 | C19 | H19A | 56.1° | 55.0° |
| C34 | C29 | C30 | H30 | 173.3° | 180.0° |
| C34 | C29 | C30 | H30A | 66.7° | 60.0° |
| C29 | C34 | C33 | H33 | 70.5° | 60.0° |
| C29 | C34 | C33 | H33A | 169.5° | 180.0° |
| C29 | C34 | H34 | H34A | 118.2° | 120.0° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 120.0° | 119.9° |
| C30 | C31 | C32 | C33 | 53.3° | 60.0° |
| C31 | C30 | C29 | H29 | 64.7° | 60.0° |
| C31 | C30 | H30 | H30A | 118.6° | 120.0° |
| C30 | C31 | H31 | H31A | 119.3° | 120.0° |
| C30 | C31 | C32 | H32 | 173.3° | 180.0° |
| C30 | C31 | C32 | H32A | 66.7° | 60.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 50.6° | 60.0° |
| C32 | C31 | C30 | H30 | 175.2° | 180.0° |
| C32 | C31 | C30 | H30A | 64.8° | 60.0° |
| C32 | C31 | H31 | H31A | 119.3° | 120.0° |
| C31 | C32 | H32 | H32A | 118.7° | 120.0° |
| C31 | C32 | C33 | H33 | 69.4° | 60.0° |
| C31 | C32 | C33 | H33A | 170.6° | 180.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.0° | 120.0° |
| C33 | C32 | C31 | H31 | 66.7° | 60.0° |
| C33 | C32 | C31 | H31A | 173.3° | 179.9° |
| C33 | C32 | H32 | H32A | 118.7° | 120.0° |
| C32 | C33 | H33 | H33A | 118.8° | 120.0° |
| C32 | C33 | C34 | H34 | 70.5° | 60.1° |
| C32 | C33 | C34 | H34A | 169.6° | 180.0° |
| C33 | C34 | C29 | H29 | 68.2° | 60.0° |
| C34 | C33 | C32 | H32 | 170.6° | 180.0° |
| C34 | C33 | C32 | H32A | 69.4° | 60.0° |
| C34 | C33 | H33 | H33A | 118.8° | 120.0° |
| C33 | C34 | H34 | H34A | 118.1° | 120.0° |
| H4 | C4 | C6 | H6 | 160.5° | 76.9° |
| H4A | C4 | C6 | H6 | 79.4° | 163.2° |
| H5 | C5 | C19 | H19 | 169.9° | 180.0° |
| H5 | C5 | C19 | H19A | 49.9° | 60.0° |
| H5A | C5 | C19 | H19 | 70.1° | 60.0° |
| H5A | C5 | C19 | H19A | 169.9° | 180.0° |
| HN5 | N5 | C24 | H24 | 56.4° | 61.2° |
| H6 | C6 | C14 | H14 | 47.8° | 60.1° |
| H6 | C6 | C14 | H14A | 167.7° | 180.0° |
| H6 | C6 | C18 | H18 | 167.1° | 180.0° |
| H6 | C6 | C18 | H18A | 47.1° | 60.0° |
| H9 | C9 | C10 | H10 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.1° |
| H14 | C14 | C15 | H15 | 55.7° | 60.1° |
| H14 | C14 | C15 | H15A | 64.3° | 60.0° |
| H14A | C14 | C15 | H15 | 175.7° | 180.0° |
| H14A | C14 | C15 | H15A | 55.7° | 60.0° |
| H15 | C15 | C16 | H16 | 59.8° | 60.1° |
| H15 | C15 | C16 | H16A | 179.8° | 180.0° |
| H15A | C15 | C16 | H16 | 60.2° | 60.0° |
| H15A | C15 | C16 | H16A | 59.8° | 60.0° |
| H16 | C16 | C17 | H17 | 57.0° | 60.0° |
| H16 | C16 | C17 | H17A | 63.0° | 60.0° |
| H16A | C16 | C17 | H17 | 177.0° | 180.0° |
| H16A | C16 | C17 | H17A | 57.0° | 59.9° |
| H17 | C17 | C18 | H18 | 171.1° | 180.0° |
| H17 | C17 | C18 | H18A | 51.2° | 60.0° |
| H17A | C17 | C18 | H18 | 51.1° | 59.9° |
| H17A | C17 | C18 | H18A | 68.8° | 60.1° |
| H19 | C19 | C29 | H29 | 65.9° | 64.9° |
| H19A | C19 | C29 | H29 | 174.1° | 175.0° |
| H23 | C23 | C24 | H24 | 117.7° | 122.7° |
| H23A | C23 | C24 | H24 | 2.3° | 0.2° |
| H24 | C24 | C26 | H26 | 142.7° | 176.3° |
| H24 | C24 | C26 | H26A | 22.7° | 63.7° |
| H26 | C26 | C27 | H27 | 170.8° | 180.0° |
| H26 | C26 | C27 | H27A | 69.3° | 60.0° |
| H26A | C26 | C27 | H27 | 50.8° | 60.0° |
| H26A | C26 | C27 | H27A | 170.7° | 180.0° |
| H27 | C27 | C28 | H28 | 60.0° | 60.1° |
| H27 | C27 | C28 | H28A | 180.0° | 59.9° |
| H27 | C27 | C28 | H28B | 60.0° | 180.0° |
| H27A | C27 | C28 | H28 | 60.0° | 180.0° |
| H27A | C27 | C28 | H28A | 60.0° | 60.0° |
| H27A | C27 | C28 | H28B | 180.0° | 60.1° |
| H28 | C28 | H28A | H28B | 119.9° | 120.0° |
| H29 | C29 | C30 | H30 | 55.3° | 59.9° |
| H29 | C29 | C30 | H30A | 175.3° | 179.9° |
| H29 | C29 | C34 | H34 | 171.9° | 180.0° |
| H29 | C29 | C34 | H34A | 51.8° | 60.0° |
| H30 | C30 | C31 | H31 | 55.2° | 60.0° |
| H30 | C30 | C31 | H31A | 64.8° | 60.0° |
| H30A | C30 | C31 | H31 | 175.2° | 180.0° |
| H30A | C30 | C31 | H31A | 55.2° | 59.9° |
| H31 | C31 | C32 | H32 | 53.3° | 60.0° |
| H31 | C31 | C32 | H32A | 173.3° | NaN° |
| H31A | C31 | C32 | H32 | 66.7° | 60.1° |
| H31A | C31 | C32 | H32A | 53.3° | 60.0° |
| H32 | C32 | C33 | H33 | 50.6° | 60.0° |
| H32 | C32 | C33 | H33A | 69.4° | 60.0° |
| H32A | C32 | C33 | H33 | 170.6° | 180.0° |
| H32A | C32 | C33 | H33A | 50.6° | 60.0° |
| H33 | C33 | C34 | H34 | 169.5° | 180.0° |
| H33 | C33 | C34 | H34A | 49.5° | 60.0° |
| H33A | C33 | C34 | H34 | 49.5° | 60.0° |
| H33A | C33 | C34 | H34A | 70.5° | 60.0° |
