HYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | N | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.36Å | 1.34Å | Aromatic |
| N1 | C | sing | 1.36Å | 1.38Å | Aromatic |
| N1 | C3 | sing | 1.40Å | 1.42Å | |
| C | N2 | sing | 1.39Å | 1.38Å | |
| C3 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| O1 | C14 | doub | 1.22Å | 1.25Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| N2 | C14 | sing | 1.35Å | 1.34Å | |
| C14 | N3 | sing | 1.35Å | 1.34Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| N6 | N5 | sing | 1.29Å | 1.39Å | Aromatic |
| N6 | C28 | doub | 1.31Å | 1.31Å | Aromatic |
| N5 | C27 | doub | 1.32Å | 1.32Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C15 | sing | 1.47Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C27 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| C27 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| N4 | C26 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.51Å | |
| C32 | C33 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | doub | 1.35Å | 1.42Å | Aromatic |
| C33 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C18 | O | sing | 1.43Å | 1.45Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C25 | O | sing | 1.36Å | 1.37Å | |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.08Å | 1.08Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C10 | C12 | 109.2° | 109.5° |
| C13 | C10 | C11 | 109.1° | 109.5° |
| C13 | C10 | C2 | 109.8° | 109.5° |
| C10 | C13 | H6 | 109.5° | 109.4° |
| C10 | C13 | H7 | 109.5° | 109.5° |
| C10 | C13 | H8 | 109.4° | 109.5° |
| C12 | C10 | C11 | 108.1° | 109.4° |
| C12 | C10 | C2 | 109.0° | 109.5° |
| C10 | C12 | H19 | 109.5° | 109.5° |
| C10 | C12 | H20 | 109.5° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C11 | C10 | C2 | 111.5° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C10 | C11 | H24 | 109.5° | 109.4° |
| C10 | C2 | N | 121.6° | 125.8° |
| C10 | C2 | C1 | 127.0° | 125.8° |
| N | C2 | C1 | 111.4° | 108.5° |
| C2 | N | N1 | 104.6° | 108.4° |
| C2 | C1 | C | 106.2° | 107.9° |
| C2 | C1 | H25 | 126.9° | 126.1° |
| N | N1 | C | 109.8° | 107.8° |
| N | N1 | C3 | 120.3° | 126.1° |
| C1 | C | N1 | 107.9° | 107.5° |
| C1 | C | N2 | 129.6° | 126.3° |
| C | C1 | H25 | 126.8° | 126.0° |
| C | N1 | C3 | 129.8° | 126.1° |
| N1 | C | N2 | 122.5° | 126.3° |
| N1 | C3 | C8 | 119.0° | 120.1° |
| N1 | C3 | C4 | 120.3° | 120.0° |
| C | N2 | C14 | 124.0° | 120.0° |
| C | N2 | H26 | 118.0° | 120.1° |
| C8 | C3 | C4 | 120.7° | 119.9° |
| C3 | C8 | C7 | 118.4° | 119.9° |
| C3 | C8 | H5 | 120.8° | 120.1° |
| C3 | C4 | C5 | 119.8° | 119.9° |
| C3 | C4 | H2 | 120.1° | 120.1° |
| C8 | C7 | C6 | 122.3° | 120.1° |
| C8 | C7 | H4 | 118.8° | 120.0° |
| C7 | C8 | H5 | 120.8° | 120.0° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C5 | C4 | H2 | 120.1° | 120.0° |
| C4 | C5 | H3 | 119.6° | 119.9° |
| O1 | C14 | N2 | 121.6° | 120.0° |
| O1 | C14 | N3 | 122.2° | 120.0° |
| C7 | C6 | C5 | 117.9° | 120.1° |
| C7 | C6 | C9 | 120.4° | 119.9° |
| C6 | C7 | H4 | 118.8° | 119.9° |
| C5 | C6 | C9 | 121.7° | 120.0° |
| C6 | C5 | H3 | 119.6° | 120.0° |
| C6 | C9 | H16 | 109.5° | 109.5° |
| C6 | C9 | H17 | 109.5° | 109.5° |
| C6 | C9 | H18 | 109.5° | 109.4° |
| N2 | C14 | N3 | 116.2° | 120.0° |
| C14 | N2 | H26 | 118.0° | 120.0° |
| C14 | N3 | C15 | 117.3° | 120.0° |
| C14 | N3 | H1 | 121.3° | 120.0° |
| C31 | C29 | C28 | 112.7° | 109.5° |
| C31 | C29 | C30 | 110.8° | 109.5° |
| C31 | C29 | H32 | 107.3° | 109.5° |
| C29 | C31 | H33 | 109.5° | 109.4° |
| C29 | C31 | H34 | 109.5° | 109.5° |
| C29 | C31 | H35 | 109.5° | 109.5° |
| N5 | N6 | C28 | 108.9° | 110.3° |
| N6 | N5 | C27 | 106.8° | 109.5° |
| N6 | C28 | C29 | 129.2° | 126.2° |
| N6 | C28 | N4 | 108.4° | 107.5° |
| N5 | C27 | N4 | 109.1° | 106.8° |
| N5 | C27 | C32 | 129.7° | 133.4° |
| C28 | C29 | C30 | 110.7° | 109.4° |
| C29 | C28 | N4 | 122.4° | 126.3° |
| C28 | C29 | H32 | 107.7° | 109.4° |
| C30 | C29 | H32 | 107.3° | 109.5° |
| C29 | C30 | H36 | 109.5° | 109.4° |
| C29 | C30 | H37 | 109.4° | 109.4° |
| C29 | C30 | H38 | 109.4° | 109.5° |
| C28 | N4 | C27 | 106.9° | 105.9° |
| C28 | N4 | C26 | 131.3° | 133.6° |
| N3 | C15 | C16 | 111.0° | 109.3° |
| N3 | C15 | C20 | 114.1° | 109.2° |
| C15 | N3 | H1 | 121.3° | 119.9° |
| N3 | C15 | H9 | 106.7° | 109.2° |
| C15 | C16 | C17 | 112.8° | 108.4° |
| C16 | C15 | C20 | 112.5° | 110.6° |
| C16 | C15 | H9 | 105.9° | 109.2° |
| C15 | C16 | H27 | 108.6° | 109.6° |
| C15 | C16 | H28 | 108.6° | 109.6° |
| C16 | C17 | C18 | 110.4° | 108.3° |
| C16 | C17 | H10 | 109.2° | 109.7° |
| C16 | C17 | H11 | 109.2° | 109.7° |
| C17 | C16 | H27 | 108.6° | 109.7° |
| C17 | C16 | H28 | 108.6° | 109.7° |
| N4 | C27 | C32 | 121.2° | 119.8° |
| C27 | N4 | C26 | 121.7° | 120.5° |
| C27 | C32 | C33 | 118.0° | 119.4° |
| C27 | C32 | H31 | 121.0° | 120.3° |
| N4 | C26 | C25 | 117.7° | 120.4° |
| N4 | C26 | H15 | 121.2° | 119.8° |
| C15 | C20 | C19 | 115.8° | 122.6° |
| C15 | C20 | C21 | 123.3° | 117.8° |
| C20 | C15 | H9 | 106.0° | 109.3° |
| C32 | C33 | C25 | 120.9° | 119.7° |
| C32 | C33 | H30 | 119.6° | 120.1° |
| C33 | C32 | H31 | 121.0° | 120.3° |
| C17 | C18 | O | 108.6° | 109.2° |
| C17 | C18 | C19 | 111.0° | 110.6° |
| C18 | C17 | H10 | 109.2° | 109.7° |
| C18 | C17 | H11 | 109.2° | 109.7° |
| C17 | C18 | H29 | 108.0° | 109.3° |
| C26 | C25 | C33 | 120.4° | 120.3° |
| C26 | C25 | O | 117.7° | 119.9° |
| C25 | C26 | H15 | 121.2° | 119.8° |
| C33 | C25 | O | 121.9° | 119.9° |
| C25 | C33 | H30 | 119.5° | 120.2° |
| O | C18 | C19 | 112.0° | 109.3° |
| C18 | O | C25 | 115.6° | 117.0° |
| O | C18 | H29 | 109.0° | 109.2° |
| C18 | C19 | C20 | 114.8° | 122.6° |
| C18 | C19 | C24 | 125.0° | 117.7° |
| C19 | C18 | H29 | 108.1° | 109.2° |
| C19 | C20 | C21 | 120.8° | 119.7° |
| C20 | C19 | C24 | 119.6° | 119.7° |
| C20 | C21 | C22 | 119.7° | 120.5° |
| C20 | C21 | H12 | 120.1° | 119.7° |
| C19 | C24 | C23 | 119.1° | 120.5° |
| C19 | C24 | H14 | 120.5° | 119.7° |
| C21 | C22 | C23 | 119.4° | 119.8° |
| C22 | C21 | H12 | 120.2° | 119.7° |
| C21 | C22 | H13 | 120.3° | 120.1° |
| C24 | C23 | C22 | 120.9° | 119.8° |
| C23 | C24 | H14 | 120.5° | 119.8° |
| C24 | C23 | H39 | 119.6° | 120.1° |
| C23 | C22 | H13 | 120.3° | 120.1° |
| C22 | C23 | H39 | 119.6° | 120.1° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.7° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.4° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H21 | 109.4° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H22 | C11 | H24 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.7° |
| H33 | C31 | H34 | 109.4° | 109.5° |
| H33 | C31 | H35 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.4° | 109.5° |
| H36 | C30 | H38 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C10 | C12 | C11 | 118.6° | 120.0° |
| C13 | C10 | C12 | C2 | 120.0° | 120.0° |
| C13 | C10 | C11 | C2 | 121.5° | 120.0° |
| C13 | C10 | C2 | N | 12.0° | 135.0° |
| C13 | C10 | C2 | C1 | 165.5° | 45.0° |
| C10 | C13 | H6 | H7 | 120.0° | 120.0° |
| C10 | C13 | H6 | H8 | 120.0° | 120.0° |
| C10 | C13 | H7 | H8 | 120.0° | 120.1° |
| C13 | C10 | C12 | H19 | 180.0° | 180.0° |
| C13 | C10 | C12 | H20 | 60.0° | 60.0° |
| C13 | C10 | C12 | H21 | 60.0° | 60.0° |
| C13 | C10 | C11 | H22 | 180.0° | 180.0° |
| C13 | C10 | C11 | H23 | 60.0° | 60.0° |
| C13 | C10 | C11 | H24 | 60.0° | 60.0° |
| C12 | C10 | C11 | C2 | 119.8° | 120.0° |
| C12 | C10 | C2 | N | 131.6° | 15.0° |
| C12 | C10 | C2 | C1 | 45.9° | 165.0° |
| C12 | C10 | C13 | H6 | 180.0° | 60.0° |
| C12 | C10 | C13 | H7 | 60.0° | 60.0° |
| C12 | C10 | C13 | H8 | 60.0° | 180.0° |
| C10 | C12 | H19 | H20 | 120.0° | 120.0° |
| C10 | C12 | H19 | H21 | 120.0° | 120.0° |
| C10 | C12 | H20 | H21 | 120.0° | 120.1° |
| C12 | C10 | C11 | H22 | 61.3° | 60.0° |
| C12 | C10 | C11 | H23 | 178.7° | 60.0° |
| C12 | C10 | C11 | H24 | 58.7° | 180.0° |
| C11 | C10 | C2 | N | 109.1° | 105.0° |
| C11 | C10 | C2 | C1 | 73.4° | 75.0° |
| C11 | C10 | C13 | H6 | 62.0° | 60.0° |
| C11 | C10 | C13 | H7 | 178.0° | 179.9° |
| C11 | C10 | C13 | H8 | 58.0° | 60.0° |
| C11 | C10 | C12 | H19 | 61.4° | 60.0° |
| C11 | C10 | C12 | H20 | 58.6° | 180.0° |
| C11 | C10 | C12 | H21 | 178.6° | 60.0° |
| C10 | C11 | H22 | H23 | 120.0° | 120.1° |
| C10 | C11 | H22 | H24 | 120.0° | 119.9° |
| C10 | C11 | H23 | H24 | 120.0° | 120.0° |
| C10 | C2 | N | C1 | 177.8° | 180.0° |
| C10 | C2 | N | N1 | 177.7° | 180.0° |
| C10 | C2 | C1 | C | 178.4° | 180.0° |
| C2 | C10 | C13 | H6 | 60.5° | 180.0° |
| C2 | C10 | C13 | H7 | 59.5° | 60.0° |
| C2 | C10 | C13 | H8 | 179.5° | 60.0° |
| C2 | C10 | C12 | H19 | 60.0° | 60.0° |
| C2 | C10 | C12 | H20 | 180.0° | 60.0° |
| C2 | C10 | C12 | H21 | 60.0° | 179.9° |
| C2 | C10 | C11 | H22 | 58.5° | 60.0° |
| C2 | C10 | C11 | H23 | 61.5° | 180.0° |
| C2 | C10 | C11 | H24 | 178.5° | 60.0° |
| C10 | C2 | C1 | H25 | 1.6° | 0.0° |
| N | C2 | C1 | C | 0.7° | 0.0° |
| C2 | N | N1 | C | 1.0° | 0.0° |
| C2 | N | N1 | C3 | 179.7° | 179.8° |
| N | C2 | C1 | H25 | 179.3° | 180.0° |
| C1 | C2 | N | N1 | 0.2° | 0.0° |
| C2 | C1 | C | H25 | 180.0° | 180.0° |
| C2 | C1 | C | N1 | 1.4° | 0.0° |
| C2 | C1 | C | N2 | 178.3° | 179.8° |
| N | N1 | C | C1 | 1.5° | 0.0° |
| N | N1 | C | C3 | 178.5° | 179.7° |
| N | N1 | C | N2 | 178.2° | 179.8° |
| N | N1 | C3 | C8 | 45.9° | 34.7° |
| N | N1 | C3 | C4 | 134.5° | 144.8° |
| C1 | C | N1 | N2 | 179.7° | 179.8° |
| C1 | C | N1 | C3 | 180.0° | 179.8° |
| C1 | C | N2 | C14 | 30.9° | 0.3° |
| C1 | C | N2 | H26 | 149.0° | 179.7° |
| C | N1 | C3 | C8 | 132.4° | 145.0° |
| C | N1 | C3 | C4 | 47.1° | 35.5° |
| N1 | C | N2 | C14 | 149.4° | 180.0° |
| N1 | C | C1 | H25 | 178.6° | 180.0° |
| N1 | C | N2 | H26 | 30.6° | 0.0° |
| C3 | N1 | C | N2 | 0.3° | 0.0° |
| N1 | C3 | C8 | C4 | 179.6° | 179.5° |
| N1 | C3 | C8 | C7 | 178.0° | 180.0° |
| N1 | C3 | C4 | C5 | 178.3° | 180.0° |
| N1 | C3 | C4 | H2 | 1.7° | 0.2° |
| N1 | C3 | C8 | H5 | 2.0° | 0.2° |
| C | N2 | C14 | O1 | 3.2° | 0.0° |
| C | N2 | C14 | H26 | 180.0° | 180.0° |
| C | N2 | C14 | N3 | 176.2° | 180.0° |
| N2 | C | C1 | H25 | 1.7° | 0.2° |
| C3 | C8 | C7 | H5 | 180.0° | 179.8° |
| C8 | C3 | C4 | C5 | 1.3° | 0.5° |
| C3 | C8 | C7 | C6 | 1.1° | 0.2° |
| C8 | C3 | C4 | H2 | 178.8° | 179.7° |
| C3 | C8 | C7 | H4 | 178.9° | 179.7° |
| C4 | C3 | C8 | C7 | 1.6° | 0.5° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.5° | 0.2° |
| C3 | C4 | C5 | H3 | 179.5° | 179.8° |
| C4 | C3 | C8 | H5 | 178.4° | 179.7° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C8 | C7 | C6 | C9 | 178.4° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C9 | 178.7° | 180.0° |
| O1 | C14 | N2 | N3 | 179.4° | 179.9° |
| O1 | C14 | N3 | C15 | 9.3° | 0.0° |
| O1 | C14 | N3 | H1 | 170.7° | 180.0° |
| O1 | C14 | N2 | H26 | 176.8° | 180.0° |
| C7 | C6 | C5 | C9 | 178.7° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | H5 | 178.9° | 180.0° |
| C7 | C6 | C9 | H16 | 90.6° | 90.0° |
| C7 | C6 | C9 | H17 | 149.4° | 30.0° |
| C7 | C6 | C9 | H18 | 29.3° | 150.0° |
| C6 | C5 | C4 | H2 | 179.6° | 180.0° |
| C5 | C6 | C7 | H4 | 179.7° | 180.0° |
| C5 | C6 | C9 | H16 | 90.7° | 90.0° |
| C5 | C6 | C9 | H17 | 29.3° | 150.0° |
| C5 | C6 | C9 | H18 | 149.3° | 30.0° |
| C9 | C6 | C5 | H3 | 1.3° | 0.0° |
| C9 | C6 | C7 | H4 | 1.6° | 0.0° |
| C6 | C9 | H16 | H17 | 120.0° | 120.0° |
| C6 | C9 | H16 | H18 | 120.0° | 119.9° |
| C6 | C9 | H17 | H18 | 120.0° | 119.9° |
| N2 | C14 | N3 | C15 | 171.3° | 180.0° |
| N2 | C14 | N3 | H1 | 8.7° | 0.1° |
| C14 | N3 | C15 | H1 | 180.0° | 180.0° |
| C14 | N3 | C15 | C16 | 95.5° | 153.9° |
| C14 | N3 | C15 | C20 | 136.1° | 85.0° |
| C14 | N3 | C15 | H9 | 19.5° | 34.5° |
| N3 | C14 | N2 | H26 | 3.8° | 0.1° |
| C31 | C29 | C28 | N6 | 11.6° | 60.0° |
| C31 | C29 | C28 | C30 | 124.8° | 120.0° |
| C31 | C29 | C28 | H32 | 118.2° | 120.0° |
| C31 | C29 | C30 | H32 | 116.9° | 120.1° |
| C31 | C29 | C28 | N4 | 168.0° | 120.0° |
| C29 | C31 | H33 | H34 | 120.0° | 120.0° |
| C29 | C31 | H33 | H35 | 120.0° | 120.0° |
| C29 | C31 | H34 | H35 | 120.0° | 120.0° |
| C31 | C29 | C30 | H36 | 180.0° | 180.0° |
| C31 | C29 | C30 | H37 | 60.0° | 60.0° |
| C31 | C29 | C30 | H38 | 60.0° | 59.9° |
| N5 | N6 | C28 | C29 | 179.5° | 180.0° |
| N5 | N6 | C28 | N4 | 0.9° | 0.0° |
| N6 | N5 | C27 | N4 | 0.3° | 0.1° |
| N6 | N5 | C27 | C32 | 179.6° | 179.4° |
| C28 | N6 | N5 | C27 | 0.4° | 0.1° |
| N6 | C28 | C29 | N4 | 179.6° | 180.0° |
| N6 | C28 | C29 | C30 | 113.2° | 60.0° |
| N6 | C28 | N4 | C27 | 1.0° | 0.0° |
| N6 | C28 | N4 | C26 | 178.8° | 180.0° |
| N6 | C28 | C29 | H32 | 129.8° | 180.0° |
| N5 | C27 | N4 | C28 | 0.8° | 0.0° |
| N5 | C27 | N4 | C32 | 179.4° | 179.5° |
| N5 | C27 | N4 | C26 | 178.9° | 180.0° |
| N5 | C27 | C32 | C33 | 179.6° | 179.6° |
| N5 | C27 | C32 | H31 | 0.4° | 0.4° |
| C28 | C29 | C30 | H32 | 117.3° | 120.0° |
| C29 | C28 | N4 | C27 | 179.3° | 180.0° |
| C29 | C28 | N4 | C26 | 1.5° | 0.0° |
| C28 | C29 | C31 | H33 | 180.0° | 180.0° |
| C28 | C29 | C31 | H34 | 60.0° | 60.0° |
| C28 | C29 | C31 | H35 | 60.0° | 60.0° |
| C28 | C29 | C30 | H36 | 54.1° | 60.0° |
| C28 | C29 | C30 | H37 | 65.8° | 180.0° |
| C28 | C29 | C30 | H38 | 174.1° | 60.0° |
| C30 | C29 | C28 | N4 | 67.2° | 120.0° |
| C30 | C29 | C31 | H33 | 55.3° | 60.0° |
| C30 | C29 | C31 | H34 | 64.7° | 180.0° |
| C30 | C29 | C31 | H35 | 175.3° | 59.9° |
| C29 | C30 | H36 | H37 | 120.0° | 119.9° |
| C29 | C30 | H36 | H38 | 120.0° | 120.0° |
| C29 | C30 | H37 | H38 | 120.0° | 120.0° |
| C28 | N4 | C27 | C26 | 178.1° | 180.0° |
| C28 | N4 | C27 | C32 | 179.8° | 179.5° |
| C28 | N4 | C26 | C25 | 179.1° | 179.5° |
| C28 | N4 | C26 | H15 | 0.8° | 0.2° |
| N4 | C28 | C29 | H32 | 49.8° | 0.0° |
| N3 | C15 | C16 | C20 | 129.2° | 120.3° |
| N3 | C15 | C16 | H9 | 115.4° | 119.5° |
| N3 | C15 | C16 | C17 | 169.2° | 69.2° |
| N3 | C15 | C20 | H9 | 117.1° | 119.4° |
| N3 | C15 | C20 | C19 | 178.2° | 102.8° |
| N3 | C15 | C20 | C21 | 5.5° | 77.2° |
| N3 | C15 | C16 | H27 | 70.3° | 171.0° |
| N3 | C15 | C16 | H28 | 48.6° | 50.5° |
| C15 | C16 | C17 | H27 | 120.5° | 119.7° |
| C15 | C16 | C17 | H28 | 120.5° | 119.7° |
| C16 | C15 | C20 | H9 | 115.3° | 120.3° |
| C15 | C16 | C17 | C18 | 11.7° | 69.9° |
| C16 | C15 | C20 | C19 | 50.5° | 17.5° |
| C16 | C15 | C20 | C21 | 133.1° | 162.5° |
| C16 | C15 | N3 | H1 | 84.5° | 26.1° |
| C15 | C16 | C17 | H10 | 131.9° | 170.4° |
| C15 | C16 | C17 | H11 | 108.4° | 49.8° |
| C15 | C16 | H27 | H28 | 118.4° | 120.5° |
| C17 | C16 | C15 | C20 | 40.0° | 51.0° |
| C16 | C17 | C18 | H10 | 120.1° | 119.7° |
| C16 | C17 | C18 | H11 | 120.1° | 119.7° |
| C16 | C17 | C18 | O | 179.3° | 171.4° |
| C16 | C17 | C18 | C19 | 57.1° | 51.1° |
| C17 | C16 | C15 | H9 | 75.4° | 171.3° |
| C16 | C17 | H10 | H11 | 119.5° | 120.6° |
| C17 | C16 | H27 | H28 | 118.5° | 120.6° |
| C16 | C17 | C18 | H29 | 61.3° | 69.2° |
| N4 | C27 | C32 | C33 | 0.4° | 0.3° |
| C27 | N4 | C26 | C25 | 1.6° | 0.5° |
| C27 | N4 | C26 | H15 | 178.4° | 179.8° |
| N4 | C27 | C32 | H31 | 179.7° | 179.8° |
| C32 | C27 | N4 | C26 | 1.7° | 0.5° |
| C27 | C32 | C33 | H31 | 180.0° | 179.9° |
| C27 | C32 | C33 | C25 | 1.1° | 0.0° |
| C27 | C32 | C33 | H30 | 178.9° | 180.0° |
| N4 | C26 | C25 | H15 | 180.0° | 179.7° |
| N4 | C26 | C25 | C33 | 0.2° | 0.2° |
| N4 | C26 | C25 | O | 179.9° | 179.8° |
| C15 | C20 | C19 | C18 | 4.5° | 0.4° |
| C15 | C20 | C19 | C21 | 176.5° | 180.0° |
| C15 | C20 | C19 | C24 | 176.1° | 179.7° |
| C15 | C20 | C21 | C22 | 179.5° | 179.8° |
| C20 | C15 | N3 | H1 | 43.9° | 95.0° |
| C15 | C20 | C21 | H12 | 0.5° | 0.2° |
| C20 | C15 | C16 | H27 | 160.5° | 68.7° |
| C20 | C15 | C16 | H28 | 80.6° | 170.8° |
| C32 | C33 | C25 | C26 | 1.1° | 0.0° |
| C32 | C33 | C25 | H30 | 180.0° | 180.0° |
| C32 | C33 | C25 | O | 178.5° | 180.0° |
| C17 | C18 | O | C19 | 123.0° | 121.1° |
| C17 | C18 | O | H29 | 117.4° | 119.4° |
| C17 | C18 | C19 | H29 | 118.4° | 120.3° |
| C17 | C18 | O | C25 | 147.5° | 143.8° |
| C17 | C18 | C19 | C20 | 50.0° | 17.6° |
| C17 | C18 | C19 | C24 | 121.0° | 162.5° |
| C18 | C17 | H10 | H11 | 119.6° | 120.6° |
| C18 | C17 | C16 | H27 | 108.8° | 49.8° |
| C18 | C17 | C16 | H28 | 132.2° | 170.4° |
| C26 | C25 | C33 | O | 179.6° | 180.0° |
| C26 | C25 | O | C18 | 145.9° | 5.9° |
| C26 | C25 | C33 | H30 | 178.9° | 180.0° |
| C33 | C25 | O | C18 | 34.4° | 174.1° |
| C33 | C25 | C26 | H15 | 179.8° | 180.0° |
| C25 | C33 | C32 | H31 | 178.9° | 179.9° |
| O | C18 | C19 | H29 | 120.1° | 119.4° |
| O | C18 | C19 | C20 | 171.6° | 137.9° |
| O | C18 | C19 | C24 | 0.5° | 42.2° |
| O | C18 | C17 | H10 | 59.2° | 68.9° |
| O | C18 | C17 | H11 | 60.5° | 51.7° |
| C19 | C18 | O | C25 | 89.5° | 95.1° |
| C18 | C19 | C20 | C24 | 171.6° | 179.9° |
| C18 | C19 | C20 | C21 | 179.1° | 179.6° |
| C18 | C19 | C24 | C23 | 179.5° | 179.7° |
| C19 | C18 | C17 | H10 | 177.3° | 170.8° |
| C19 | C18 | C17 | H11 | 63.0° | 68.6° |
| C18 | C19 | C24 | H14 | 0.5° | 0.3° |
| O | C25 | C26 | H15 | 0.1° | 0.1° |
| C25 | O | C18 | H29 | 30.1° | 24.4° |
| O | C25 | C33 | H30 | 1.5° | 0.0° |
| C19 | C20 | C21 | C22 | 3.3° | 0.1° |
| C20 | C19 | C24 | C23 | 8.8° | 0.2° |
| C19 | C20 | C15 | H9 | 64.7° | 137.8° |
| C19 | C20 | C21 | H12 | 176.7° | 179.8° |
| C20 | C19 | C24 | H14 | 171.2° | 179.8° |
| C20 | C19 | C18 | H29 | 68.3° | 102.7° |
| C21 | C20 | C19 | C24 | 7.5° | 0.3° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.1° |
| C21 | C20 | C15 | H9 | 111.6° | 42.2° |
| C20 | C21 | C22 | H13 | 179.4° | 180.0° |
| C19 | C24 | C23 | H14 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 6.2° | 0.0° |
| C24 | C19 | C18 | H29 | 120.6° | 77.2° |
| C19 | C24 | C23 | H39 | 173.8° | 180.0° |
| C21 | C22 | C23 | C24 | 2.2° | 0.2° |
| C21 | C22 | C23 | H13 | 180.0° | 179.9° |
| C21 | C22 | C23 | H39 | 177.8° | 179.9° |
| C24 | C23 | C22 | H39 | 180.0° | 180.0° |
| C24 | C23 | C22 | H13 | 177.8° | 179.9° |
| C23 | C22 | C21 | H12 | 179.4° | 180.0° |
| C22 | C23 | C24 | H14 | 173.7° | 180.0° |
| H1 | N3 | C15 | H9 | 160.6° | 145.5° |
| H2 | C4 | C5 | H3 | 0.4° | 0.0° |
| H4 | C7 | C8 | H5 | 1.1° | 0.1° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C15 | C16 | H27 | 45.1° | 51.6° |
| H9 | C15 | C16 | H28 | 164.1° | 69.0° |
| H10 | C17 | C16 | H27 | 11.4° | 69.9° |
| H10 | C17 | C16 | H28 | 107.6° | 50.7° |
| H10 | C17 | C18 | H29 | 58.8° | 50.5° |
| H11 | C17 | C16 | H27 | 131.1° | 169.5° |
| H11 | C17 | C16 | H28 | 12.1° | 69.9° |
| H11 | C17 | C18 | H29 | 178.6° | 171.1° |
| H12 | C21 | C22 | H13 | 0.6° | 0.0° |
| H13 | C22 | C23 | H39 | 2.2° | 0.0° |
| H14 | C24 | C23 | H39 | 6.3° | 0.0° |
| H16 | C9 | H17 | H18 | 119.9° | 120.1° |
| H19 | C12 | H20 | H21 | 120.0° | 119.9° |
| H22 | C11 | H23 | H24 | 120.0° | 120.0° |
| H30 | C33 | C32 | H31 | 1.1° | 0.1° |
| H32 | C29 | C31 | H33 | 61.6° | 60.0° |
| H32 | C29 | C31 | H34 | 178.4° | 60.0° |
| H32 | C29 | C31 | H35 | 58.4° | NaN° |
| H32 | C29 | C30 | H36 | 63.2° | 59.9° |
| H32 | C29 | C30 | H37 | 176.9° | 60.0° |
| H32 | C29 | C30 | H38 | 56.9° | NaN° |
| H33 | C31 | H34 | H35 | 120.0° | 120.0° |
| H36 | C30 | H37 | H38 | 120.0° | 120.0° |
