HYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C2 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| N | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| N1 | C | sing | 1.36Å | 1.35Å | Aromatic |
| C1 | C | doub | 1.36Å | 1.36Å | Aromatic |
| C | N2 | sing | 1.39Å | 1.39Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C14 | sing | 1.35Å | 1.36Å | |
| C14 | O1 | doub | 1.22Å | 1.26Å | |
| C14 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C15 | sing | 1.46Å | 1.44Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.48Å | |
| C19 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O | sing | 1.43Å | 1.45Å | |
| C33 | C32 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| C32 | C27 | sing | 1.41Å | 1.43Å | Aromatic |
| O | C25 | sing | 1.36Å | 1.36Å | |
| C25 | C26 | doub | 1.35Å | 1.40Å | Aromatic |
| C27 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| C27 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| N5 | N6 | sing | 1.29Å | 1.41Å | Aromatic |
| C26 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | C28 | sing | 1.36Å | 1.35Å | Aromatic |
| N6 | C28 | doub | 1.31Å | 1.30Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.49Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| 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 | C11 | 108.2° | 109.5° |
| C13 | C10 | C2 | 110.4° | 109.5° |
| C13 | C10 | C12 | 108.4° | 109.5° |
| C10 | C13 | H6 | 109.5° | 109.5° |
| C10 | C13 | H7 | 109.4° | 109.4° |
| C10 | C13 | H8 | 109.5° | 109.5° |
| C11 | C10 | C2 | 110.2° | 109.4° |
| C11 | C10 | C12 | 109.1° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C11 | H23 | 109.5° | 109.5° |
| C10 | C11 | H24 | 109.5° | 109.5° |
| C8 | C7 | C6 | 121.3° | 120.1° |
| C7 | C8 | C3 | 119.2° | 119.9° |
| C8 | C7 | H4 | 119.4° | 120.0° |
| C7 | C8 | H5 | 120.4° | 120.0° |
| C7 | C6 | C9 | 120.3° | 120.0° |
| C7 | C6 | C5 | 118.2° | 120.1° |
| C6 | C7 | H4 | 119.4° | 119.9° |
| C8 | C3 | N1 | 118.9° | 120.1° |
| C8 | C3 | C4 | 120.8° | 119.9° |
| C3 | C8 | H5 | 120.4° | 120.0° |
| C2 | C10 | C12 | 110.6° | 109.5° |
| C10 | C2 | N | 121.8° | 125.7° |
| C10 | C2 | C1 | 127.4° | 125.8° |
| C10 | C12 | H19 | 109.5° | 109.4° |
| C10 | C12 | H20 | 109.4° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C2 | N | N1 | 104.7° | 108.4° |
| N | C2 | C1 | 110.6° | 108.5° |
| N | N1 | C3 | 119.9° | 126.1° |
| N | N1 | C | 111.2° | 107.8° |
| C2 | C1 | C | 106.1° | 107.9° |
| C2 | C1 | H25 | 126.9° | 126.0° |
| C9 | C6 | C5 | 121.4° | 119.9° |
| C6 | C9 | H16 | 109.5° | 109.5° |
| C6 | C9 | H17 | 109.5° | 109.5° |
| C6 | C9 | H18 | 109.5° | 109.4° |
| C6 | C5 | C4 | 121.1° | 120.0° |
| C6 | C5 | H3 | 119.4° | 120.0° |
| N1 | C3 | C4 | 120.3° | 120.0° |
| C3 | N1 | C | 128.8° | 126.1° |
| C3 | C4 | C5 | 119.3° | 119.9° |
| C3 | C4 | H2 | 120.4° | 120.0° |
| N1 | C | C1 | 107.2° | 107.5° |
| N1 | C | N2 | 123.5° | 126.3° |
| C1 | C | N2 | 129.1° | 126.3° |
| C | C1 | H25 | 126.9° | 126.1° |
| C | N2 | C14 | 123.4° | 120.0° |
| C | N2 | H26 | 118.3° | 120.0° |
| C5 | C4 | H2 | 120.4° | 120.0° |
| C4 | C5 | H3 | 119.4° | 119.9° |
| N2 | C14 | O1 | 122.6° | 120.0° |
| N2 | C14 | N3 | 115.8° | 120.0° |
| C14 | N2 | H26 | 118.3° | 120.0° |
| O1 | C14 | N3 | 121.6° | 120.0° |
| C14 | N3 | C15 | 118.0° | 120.0° |
| C14 | N3 | H1 | 121.0° | 119.9° |
| N3 | C15 | C20 | 115.0° | 109.3° |
| N3 | C15 | C16 | 110.7° | 109.3° |
| C15 | N3 | H1 | 121.0° | 120.0° |
| N3 | C15 | H9 | 106.7° | 109.3° |
| C22 | C21 | C20 | 120.7° | 120.5° |
| C21 | C22 | C23 | 119.1° | 119.8° |
| C22 | C21 | H12 | 119.6° | 119.8° |
| C21 | C22 | H13 | 120.4° | 120.1° |
| C21 | C20 | C15 | 120.3° | 117.8° |
| C21 | C20 | C19 | 120.4° | 119.7° |
| C20 | C21 | H12 | 119.7° | 119.7° |
| C22 | C23 | C24 | 120.9° | 119.8° |
| C23 | C22 | H13 | 120.5° | 120.2° |
| C22 | C23 | H39 | 119.6° | 120.1° |
| C20 | C15 | C16 | 112.3° | 110.6° |
| C15 | C20 | C19 | 119.2° | 122.5° |
| C20 | C15 | H9 | 105.7° | 109.2° |
| C15 | C16 | C17 | 108.3° | 108.4° |
| C16 | C15 | H9 | 105.9° | 109.2° |
| C15 | C16 | H27 | 109.8° | 109.7° |
| C15 | C16 | H28 | 109.7° | 109.7° |
| C20 | C19 | C24 | 118.7° | 119.7° |
| C20 | C19 | C18 | 119.9° | 122.6° |
| C23 | C24 | C19 | 120.1° | 120.6° |
| C23 | C24 | H14 | 119.9° | 119.7° |
| C24 | C23 | H39 | 119.5° | 120.1° |
| C16 | C17 | C18 | 110.5° | 108.4° |
| C16 | C17 | H10 | 109.2° | 109.6° |
| C16 | C17 | H11 | 109.2° | 109.7° |
| C17 | C16 | H27 | 109.8° | 109.7° |
| C17 | C16 | H28 | 109.8° | 109.6° |
| C24 | C19 | C18 | 120.6° | 117.8° |
| C19 | C24 | H14 | 120.0° | 119.7° |
| C19 | C18 | C17 | 116.5° | 110.6° |
| C19 | C18 | O | 112.6° | 109.3° |
| C19 | C18 | H29 | 107.6° | 109.2° |
| C17 | C18 | O | 103.8° | 109.2° |
| C18 | C17 | H10 | 109.2° | 109.7° |
| C18 | C17 | H11 | 109.2° | 109.7° |
| C17 | C18 | H29 | 107.6° | 109.2° |
| C18 | O | C25 | 135.6° | 117.0° |
| O | C18 | H29 | 108.5° | 109.3° |
| C32 | C33 | C25 | 119.6° | 119.7° |
| C33 | C32 | C27 | 118.4° | 119.3° |
| C32 | C33 | H30 | 120.2° | 120.1° |
| C33 | C32 | H31 | 120.8° | 120.3° |
| C33 | C25 | O | 128.2° | 119.8° |
| C33 | C25 | C26 | 120.9° | 120.3° |
| C25 | C33 | H30 | 120.2° | 120.2° |
| C32 | C27 | N5 | 130.7° | 133.4° |
| C32 | C27 | N4 | 121.0° | 119.7° |
| C27 | C32 | H31 | 120.8° | 120.3° |
| O | C25 | C26 | 110.7° | 119.9° |
| C25 | C26 | N4 | 119.5° | 120.4° |
| C25 | C26 | H15 | 120.2° | 119.8° |
| N5 | C27 | N4 | 108.3° | 106.9° |
| C27 | N5 | N6 | 106.7° | 109.5° |
| C27 | N4 | C26 | 120.6° | 120.5° |
| C27 | N4 | C28 | 108.2° | 105.9° |
| N5 | N6 | C28 | 108.4° | 110.3° |
| C26 | N4 | C28 | 131.2° | 133.6° |
| N4 | C26 | H15 | 120.2° | 119.8° |
| N4 | C28 | N6 | 108.3° | 107.5° |
| N4 | C28 | C29 | 122.0° | 126.2° |
| N6 | C28 | C29 | 129.4° | 126.2° |
| C28 | C29 | C31 | 108.7° | 109.5° |
| C28 | C29 | C30 | 113.5° | 109.5° |
| C28 | C29 | H32 | 108.0° | 109.5° |
| C31 | C29 | C30 | 111.3° | 109.4° |
| C31 | C29 | H32 | 107.5° | 109.4° |
| C29 | C31 | H33 | 109.5° | 109.5° |
| C29 | C31 | H34 | 109.5° | 109.4° |
| C29 | C31 | H35 | 109.5° | 109.4° |
| C30 | C29 | H32 | 107.6° | 109.5° |
| C29 | C30 | H36 | 109.5° | 109.4° |
| C29 | C30 | H37 | 109.5° | 109.4° |
| C29 | C30 | H38 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.4° | 109.4° |
| H10 | C17 | H11 | 109.5° | 109.6° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.4° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.4° | 109.5° |
| H19 | C12 | H21 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H22 | C11 | H24 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.7° |
| H33 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H36 | C30 | H38 | 109.4° | 109.6° |
| H37 | C30 | H38 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C10 | C11 | C2 | 120.7° | 120.0° |
| C13 | C10 | C11 | C12 | 117.7° | 120.1° |
| C13 | C10 | C2 | C12 | 119.9° | 120.0° |
| C13 | C10 | C2 | N | 106.8° | 15.0° |
| C13 | C10 | C2 | C1 | 78.4° | 165.0° |
| C10 | C13 | H6 | H7 | 120.0° | 120.0° |
| C10 | C13 | H6 | H8 | 120.0° | 120.1° |
| C10 | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | C10 | C12 | H19 | 180.0° | 59.9° |
| C13 | C10 | C12 | H20 | 60.0° | 60.0° |
| C13 | C10 | C12 | H21 | 60.0° | 180.0° |
| C13 | C10 | C11 | H22 | 180.0° | 180.0° |
| C13 | C10 | C11 | H23 | 60.0° | 60.0° |
| C13 | C10 | C11 | H24 | 60.0° | 59.9° |
| C11 | C10 | C2 | C12 | 120.7° | 119.9° |
| C11 | C10 | C2 | N | 12.6° | 135.0° |
| C11 | C10 | C2 | C1 | 162.2° | 45.0° |
| C11 | C10 | C13 | H6 | 180.0° | 60.0° |
| C11 | C10 | C13 | H7 | 60.0° | 60.0° |
| C11 | C10 | C13 | H8 | 60.0° | 180.0° |
| C11 | C10 | C12 | H19 | 62.5° | 180.0° |
| C11 | C10 | C12 | H20 | 177.6° | 60.0° |
| C11 | C10 | C12 | H21 | 57.6° | 60.0° |
| C10 | C11 | H22 | H23 | 120.0° | 120.0° |
| C10 | C11 | H22 | H24 | 120.0° | 120.0° |
| C10 | C11 | H23 | H24 | 120.0° | 120.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.8° |
| C7 | C8 | C3 | H5 | 180.0° | 179.8° |
| C8 | C7 | C6 | C9 | 179.6° | 180.0° |
| C8 | C7 | C6 | C5 | 1.1° | 0.0° |
| C7 | C8 | C3 | N1 | 178.9° | 180.0° |
| C7 | C8 | C3 | C4 | 1.9° | 0.6° |
| C6 | C7 | C8 | C3 | 2.5° | 0.2° |
| C7 | C6 | C9 | C5 | 178.5° | 180.0° |
| C7 | C6 | C5 | C4 | 1.1° | 0.0° |
| C7 | C6 | C5 | H3 | 178.9° | 180.0° |
| C6 | C7 | C8 | H5 | 177.5° | 180.0° |
| C7 | C6 | C9 | H16 | 90.7° | 90.0° |
| C7 | C6 | C9 | H17 | 149.2° | 30.0° |
| C7 | C6 | C9 | H18 | 29.3° | 150.0° |
| C8 | C3 | N1 | N | 45.2° | 34.7° |
| C8 | C3 | N1 | C4 | 179.2° | 179.4° |
| C8 | C3 | N1 | C | 130.7° | 145.0° |
| C8 | C3 | C4 | C5 | 0.2° | 0.6° |
| C8 | C3 | C4 | H2 | 179.8° | 179.8° |
| C3 | C8 | C7 | H4 | 177.4° | 180.0° |
| C10 | C2 | N | C1 | 175.6° | 179.9° |
| C10 | C2 | N | N1 | 177.1° | 179.9° |
| C10 | C2 | C1 | C | 179.3° | 179.9° |
| C2 | C10 | C13 | H6 | 59.4° | 60.0° |
| C2 | C10 | C13 | H7 | 60.7° | 180.0° |
| C2 | C10 | C13 | H8 | 179.4° | 60.1° |
| C2 | C10 | C12 | H19 | 58.9° | 60.1° |
| C2 | C10 | C12 | H20 | 61.1° | 180.0° |
| C2 | C10 | C12 | H21 | 178.9° | 60.0° |
| C2 | C10 | C11 | H22 | 59.3° | 60.0° |
| C2 | C10 | C11 | H23 | 179.3° | 180.0° |
| C2 | C10 | C11 | H24 | 60.8° | 60.0° |
| C10 | C2 | C1 | H25 | 0.7° | 0.1° |
| C12 | C10 | C2 | N | 133.3° | 105.0° |
| C12 | C10 | C2 | C1 | 41.5° | 74.9° |
| C12 | C10 | C13 | H6 | 61.8° | 180.0° |
| C12 | C10 | C13 | H7 | 178.1° | 60.0° |
| C12 | C10 | C13 | H8 | 58.2° | 59.9° |
| C10 | C12 | H19 | H20 | 120.0° | 120.0° |
| C10 | C12 | H19 | H21 | 120.0° | 120.0° |
| C10 | C12 | H20 | H21 | 120.0° | 120.0° |
| C12 | C10 | C11 | H22 | 62.3° | 59.9° |
| C12 | C10 | C11 | H23 | 57.7° | 60.0° |
| C12 | C10 | C11 | H24 | 177.7° | 180.0° |
| C2 | N | N1 | C3 | 178.2° | 179.7° |
| C2 | N | N1 | C | 1.6° | 0.0° |
| N | C2 | C1 | C | 4.0° | 0.0° |
| N | C2 | C1 | H25 | 176.0° | 180.0° |
| N1 | N | C2 | C1 | 1.5° | 0.0° |
| N | N1 | C3 | C | 175.9° | 179.7° |
| N | N1 | C3 | C4 | 135.6° | 144.7° |
| N | N1 | C | C1 | 4.1° | 0.0° |
| N | N1 | C | N2 | 179.3° | 179.7° |
| C2 | C1 | C | N1 | 4.8° | 0.0° |
| C2 | C1 | C | H25 | 180.0° | 180.0° |
| C2 | C1 | C | N2 | 179.6° | 179.7° |
| C9 | C6 | C5 | C4 | 177.5° | 180.0° |
| C9 | C6 | C5 | H3 | 2.5° | 0.0° |
| C9 | C6 | C7 | H4 | 0.4° | 0.3° |
| C6 | C9 | H16 | H17 | 120.0° | 120.0° |
| C6 | C9 | H16 | H18 | 120.0° | 119.9° |
| C6 | C9 | H17 | H18 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 1.7° | 0.3° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H2 | 178.3° | 180.0° |
| C5 | C6 | C7 | H4 | 178.9° | 179.7° |
| C5 | C6 | C9 | H16 | 90.8° | 90.0° |
| C5 | C6 | C9 | H17 | 29.3° | 150.0° |
| C5 | C6 | C9 | H18 | 149.2° | 30.0° |
| C3 | N1 | C | C1 | 179.7° | 179.7° |
| C3 | N1 | C | N2 | 4.5° | 0.1° |
| N1 | C3 | C4 | C5 | 179.0° | 180.0° |
| N1 | C3 | C4 | H2 | 1.0° | 0.3° |
| N1 | C3 | C8 | H5 | 1.1° | 0.2° |
| C4 | C3 | N1 | C | 48.5° | 35.5° |
| C3 | C4 | C5 | H2 | 180.0° | 179.6° |
| C3 | C4 | C5 | H3 | 178.3° | 179.7° |
| C4 | C3 | C8 | H5 | 178.1° | 179.7° |
| N1 | C | C1 | N2 | 174.9° | 179.7° |
| N1 | C | N2 | C14 | 148.5° | 179.9° |
| N1 | C | C1 | H25 | 175.2° | 180.0° |
| N1 | C | N2 | H26 | 31.5° | 0.1° |
| C1 | C | N2 | C14 | 25.6° | 0.3° |
| C1 | C | N2 | H26 | 154.4° | 179.7° |
| C | N2 | C14 | H26 | 180.0° | 180.0° |
| C | N2 | C14 | O1 | 4.9° | 0.0° |
| C | N2 | C14 | N3 | 171.9° | 180.0° |
| N2 | C | C1 | H25 | 0.3° | 0.3° |
| N2 | C14 | O1 | N3 | 176.7° | 180.0° |
| N2 | C14 | N3 | C15 | 170.6° | 180.0° |
| N2 | C14 | N3 | H1 | 9.4° | 0.0° |
| O1 | C14 | N3 | C15 | 12.5° | 0.0° |
| O1 | C14 | N3 | H1 | 167.5° | 180.0° |
| O1 | C14 | N2 | H26 | 175.1° | 180.0° |
| C14 | N3 | C15 | H1 | 180.0° | 180.0° |
| C14 | N3 | C15 | C20 | 142.2° | 85.0° |
| C14 | N3 | C15 | C16 | 89.3° | 153.9° |
| C14 | N3 | C15 | H9 | 25.3° | 34.4° |
| N3 | C14 | N2 | H26 | 8.1° | 0.0° |
| N3 | C15 | C20 | C21 | 25.3° | 42.0° |
| N3 | C15 | C20 | C16 | 127.7° | 120.3° |
| N3 | C15 | C20 | H9 | 117.4° | 119.5° |
| N3 | C15 | C16 | H9 | 115.2° | 119.5° |
| N3 | C15 | C20 | C19 | 158.9° | 138.0° |
| N3 | C15 | C16 | C17 | 172.2° | 171.3° |
| N3 | C15 | C16 | H27 | 52.4° | 68.9° |
| N3 | C15 | C16 | H28 | 68.0° | 51.6° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | C15 | 178.3° | 179.8° |
| C22 | C21 | C20 | C19 | 2.5° | 0.2° |
| C21 | C22 | C23 | C24 | 0.5° | 0.2° |
| C21 | C22 | C23 | H39 | 179.5° | 179.8° |
| C20 | C21 | C22 | C23 | 0.4° | 0.1° |
| C21 | C20 | C15 | C19 | 175.8° | 180.0° |
| C21 | C20 | C15 | C16 | 152.9° | 162.3° |
| C21 | C20 | C19 | C24 | 5.2° | 0.3° |
| C21 | C20 | C19 | C18 | 174.9° | 179.3° |
| C21 | C20 | C15 | H9 | 92.1° | 77.5° |
| C20 | C21 | C22 | H13 | 179.7° | 179.9° |
| C22 | C23 | C24 | H39 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 2.2° | 0.0° |
| C23 | C22 | C21 | H12 | 179.6° | 180.0° |
| C22 | C23 | C24 | H14 | 177.8° | 180.0° |
| C20 | C15 | C16 | H9 | 114.9° | 120.2° |
| C20 | C15 | C16 | C17 | 57.9° | 51.0° |
| C15 | C20 | C19 | C24 | 179.0° | 179.6° |
| C15 | C20 | C19 | C18 | 9.3° | 0.7° |
| C20 | C15 | N3 | H1 | 37.8° | 95.0° |
| C15 | C20 | C21 | H12 | 1.7° | 0.2° |
| C20 | C15 | C16 | H27 | 177.7° | 170.8° |
| C20 | C15 | C16 | H28 | 62.0° | 68.7° |
| C16 | C15 | C20 | C19 | 31.2° | 17.7° |
| C15 | C16 | C17 | H27 | 119.8° | 119.8° |
| C15 | C16 | C17 | H28 | 119.8° | 119.7° |
| C15 | C16 | C17 | C18 | 63.0° | 69.8° |
| C16 | C15 | N3 | H1 | 90.6° | 26.1° |
| C15 | C16 | C17 | H10 | 57.2° | 49.9° |
| C15 | C16 | C17 | H11 | 176.9° | 170.4° |
| C15 | C16 | H27 | H28 | 120.5° | 120.6° |
| C20 | C19 | C24 | C23 | 5.0° | 0.3° |
| C20 | C19 | C24 | C18 | 169.6° | 179.7° |
| C20 | C19 | C18 | C17 | 14.5° | 17.8° |
| C20 | C19 | C18 | O | 134.2° | 138.1° |
| C19 | C20 | C15 | H9 | 83.7° | 102.5° |
| C19 | C20 | C21 | H12 | 177.5° | 179.8° |
| C20 | C19 | C24 | H14 | 175.0° | 179.7° |
| C20 | C19 | C18 | H29 | 106.4° | 102.5° |
| C23 | C24 | C19 | H14 | 180.0° | 180.0° |
| C23 | C24 | C19 | C18 | 174.6° | 179.4° |
| C24 | C23 | C22 | H13 | 179.5° | 179.9° |
| C16 | C17 | C18 | C19 | 41.7° | 51.1° |
| C16 | C17 | C18 | H10 | 120.1° | 119.7° |
| C16 | C17 | C18 | H11 | 120.1° | 119.8° |
| C16 | C17 | C18 | O | 166.1° | 171.4° |
| C17 | C16 | C15 | H9 | 57.0° | 69.2° |
| C16 | C17 | H10 | H11 | 119.6° | 120.5° |
| C17 | C16 | H27 | H28 | 120.5° | 120.4° |
| C16 | C17 | C18 | H29 | 79.1° | 69.2° |
| C24 | C19 | C18 | C17 | 176.0° | 162.5° |
| C24 | C19 | C18 | O | 56.3° | 42.2° |
| C24 | C19 | C18 | H29 | 63.1° | 77.2° |
| C19 | C24 | C23 | H39 | 177.8° | 180.0° |
| C19 | C18 | C17 | O | 124.3° | 120.3° |
| C19 | C18 | C17 | H29 | 120.8° | 120.3° |
| C19 | C18 | O | H29 | 118.9° | 119.5° |
| C19 | C18 | O | C25 | 46.1° | 94.7° |
| C19 | C18 | C17 | H10 | 78.4° | 68.6° |
| C19 | C18 | C17 | H11 | 161.9° | 170.9° |
| C18 | C19 | C24 | H14 | 5.4° | 0.6° |
| C17 | C18 | O | H29 | 114.3° | 119.4° |
| C17 | C18 | O | C25 | 80.7° | 144.2° |
| C18 | C17 | H10 | H11 | 119.5° | 120.6° |
| C18 | C17 | C16 | H27 | 177.2° | 170.4° |
| C18 | C17 | C16 | H28 | 56.8° | 49.9° |
| C18 | O | C25 | C33 | 29.0° | 174.2° |
| C18 | O | C25 | C26 | 156.3° | 5.7° |
| O | C18 | C17 | H10 | 45.9° | 51.7° |
| O | C18 | C17 | H11 | 73.8° | 68.8° |
| C32 | C33 | C25 | H30 | 180.0° | 180.0° |
| C33 | C32 | C27 | H31 | 180.0° | 180.0° |
| C32 | C33 | C25 | O | 172.1° | 180.0° |
| C32 | C33 | C25 | C26 | 2.1° | 0.0° |
| C33 | C32 | C27 | N5 | 178.7° | 179.9° |
| C33 | C32 | C27 | N4 | 0.2° | 0.0° |
| C25 | C33 | C32 | C27 | 1.6° | 0.0° |
| C33 | C25 | O | C26 | 174.7° | 180.0° |
| C33 | C25 | C26 | N4 | 0.7° | 0.1° |
| C33 | C25 | C26 | H15 | 179.3° | 179.7° |
| C25 | C33 | C32 | H31 | 178.4° | 180.0° |
| C32 | C27 | N5 | N4 | 178.6° | 179.9° |
| C32 | C27 | N5 | N6 | 179.4° | 179.9° |
| C32 | C27 | N4 | C26 | 1.6° | 0.0° |
| C32 | C27 | N4 | C28 | 180.0° | 179.9° |
| C27 | C32 | C33 | H30 | 178.4° | 180.0° |
| O | C25 | C26 | N4 | 174.4° | 180.0° |
| O | C25 | C26 | H15 | 5.6° | 0.2° |
| C25 | O | C18 | H29 | 165.0° | 24.8° |
| O | C25 | C33 | H30 | 7.9° | 0.0° |
| C25 | C26 | N4 | C27 | 1.2° | 0.1° |
| C25 | C26 | N4 | H15 | 180.0° | 179.8° |
| C25 | C26 | N4 | C28 | 179.1° | 179.9° |
| C26 | C25 | C33 | H30 | 177.9° | 180.0° |
| N5 | C27 | N4 | C26 | 179.6° | 180.0° |
| N5 | C27 | N4 | C28 | 1.3° | 0.0° |
| C27 | N5 | N6 | C28 | 0.1° | 0.0° |
| N5 | C27 | C32 | H31 | 1.3° | 0.1° |
| N4 | C27 | N5 | N6 | 0.8° | 0.0° |
| C27 | N4 | C26 | C28 | 177.9° | 180.0° |
| C27 | N4 | C28 | N6 | 1.2° | 0.0° |
| C27 | N4 | C28 | C29 | 176.3° | 180.0° |
| C27 | N4 | C26 | H15 | 178.8° | 179.7° |
| N4 | C27 | C32 | H31 | 179.8° | 180.0° |
| N5 | N6 | C28 | N4 | 0.7° | 0.0° |
| N5 | N6 | C28 | C29 | 175.3° | 180.0° |
| C26 | N4 | C28 | N6 | 179.3° | 180.0° |
| C26 | N4 | C28 | C29 | 5.6° | 0.0° |
| N4 | C28 | N6 | C29 | 174.6° | 180.0° |
| N4 | C28 | C29 | C31 | 80.8° | 120.0° |
| N4 | C28 | C29 | C30 | 154.8° | 120.0° |
| C28 | N4 | C26 | H15 | 0.9° | 0.3° |
| N4 | C28 | C29 | H32 | 35.6° | 0.0° |
| N6 | C28 | C29 | C31 | 93.2° | 60.0° |
| N6 | C28 | C29 | C30 | 31.2° | 60.0° |
| N6 | C28 | C29 | H32 | 150.4° | 180.0° |
| C28 | C29 | C31 | C30 | 125.7° | 120.0° |
| C28 | C29 | C31 | H32 | 116.7° | 120.1° |
| C28 | C29 | C30 | H32 | 119.5° | 120.1° |
| 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 | 180.0° | 60.0° |
| C28 | C29 | C30 | H37 | 60.0° | 180.0° |
| C28 | C29 | C30 | H38 | 60.0° | 60.0° |
| C31 | C29 | C30 | H32 | 117.5° | 119.9° |
| C29 | C31 | H33 | H34 | 120.0° | 119.9° |
| C29 | C31 | H33 | H35 | 120.0° | 120.0° |
| C29 | C31 | H34 | H35 | 120.0° | 119.9° |
| C31 | C29 | C30 | H36 | 57.0° | 179.9° |
| C31 | C29 | C30 | H37 | 177.1° | 60.0° |
| C31 | C29 | C30 | H38 | 63.0° | 60.0° |
| C30 | C29 | C31 | H33 | 54.3° | 60.0° |
| C30 | C29 | C31 | H34 | 65.7° | 180.0° |
| C30 | C29 | C31 | H35 | 174.3° | 60.0° |
| C29 | C30 | H36 | H37 | 120.0° | 120.0° |
| C29 | C30 | H36 | H38 | 120.0° | 120.0° |
| C29 | C30 | H37 | H38 | 120.0° | 120.0° |
| H1 | N3 | C15 | H9 | 154.7° | 145.5° |
| H2 | C4 | C5 | H3 | 1.7° | 0.1° |
| H4 | C7 | C8 | H5 | 2.5° | 0.2° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C15 | C16 | H27 | 62.8° | 50.6° |
| H9 | C15 | C16 | H28 | 176.8° | 171.1° |
| H10 | C17 | C16 | H27 | 62.7° | 69.9° |
| H10 | C17 | C16 | H28 | 177.0° | 169.6° |
| H10 | C17 | C18 | H29 | 160.8° | 171.1° |
| H11 | C17 | C16 | H27 | 57.1° | 50.6° |
| H11 | C17 | C16 | H28 | 63.3° | 69.9° |
| H11 | C17 | C18 | H29 | 41.0° | 50.6° |
| H12 | C21 | C22 | H13 | 0.3° | 0.0° |
| H13 | C22 | C23 | H39 | 0.5° | 0.1° |
| H14 | C24 | C23 | H39 | 2.2° | 0.0° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
| H19 | C12 | H20 | H21 | 120.0° | 120.0° |
| H22 | C11 | H23 | H24 | 120.0° | 120.0° |
| H30 | C33 | C32 | H31 | 1.6° | 0.0° |
| H32 | C29 | C31 | H33 | 63.3° | 59.9° |
| H32 | C29 | C31 | H34 | 176.7° | 60.1° |
| H32 | C29 | C31 | H35 | 56.7° | 179.9° |
| H32 | C29 | C30 | H36 | 60.5° | 60.0° |
| H32 | C29 | C30 | H37 | 59.5° | 60.0° |
| H32 | C29 | C30 | H38 | 179.5° | 179.9° |
| H33 | C31 | H34 | H35 | 120.0° | 120.1° |
| H36 | C30 | H37 | H38 | 120.0° | 120.1° |
