R6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N6 | sing | 1.46Å | 1.46Å | |
| N5 | N6 | sing | 1.40Å | 1.35Å | Aromatic |
| N5 | C27 | doub | 1.31Å | 1.32Å | Aromatic |
| N6 | C29 | sing | 1.35Å | 1.34Å | Aromatic |
| C27 | C26 | sing | 1.41Å | 1.40Å | Aromatic |
| C29 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| C26 | C23 | sing | 1.49Å | 1.48Å | |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C25 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C21 | sing | 1.41Å | 1.44Å | Aromatic |
| C25 | N4 | sing | 1.38Å | 1.34Å | |
| C21 | C20 | sing | 1.47Å | 1.50Å | |
| C20 | O1 | doub | 1.22Å | 1.23Å | |
| C20 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | sing | 1.55Å | 1.54Å | |
| C19 | C15 | sing | 1.54Å | 1.55Å | |
| C18 | C17 | sing | 1.55Å | 1.50Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C15 | O | sing | 1.43Å | 1.43Å | |
| C17 | C16 | sing | 1.54Å | 1.52Å | |
| C14 | O | sing | 1.43Å | 1.42Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C32 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C33 | N | sing | 1.47Å | 1.46Å | |
| N | C | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.08Å | 1.08Å | |
| C5 | H38 | sing | 1.08Å | 1.08Å | |
| C | H41 | sing | 1.09Å | 1.10Å | |
| C | H42 | sing | 1.09Å | 1.10Å | |
| C | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N6 | N5 | 120.0° | 125.9° |
| C28 | N6 | C29 | 127.8° | 125.9° |
| N6 | C28 | H29 | 109.5° | 109.5° |
| N6 | C28 | H30 | 109.5° | 109.5° |
| N6 | C28 | H31 | 109.4° | 109.5° |
| N6 | N5 | C27 | 104.4° | 108.5° |
| N5 | N6 | C29 | 112.2° | 108.2° |
| N5 | C27 | C26 | 112.0° | 108.1° |
| N5 | C27 | H19 | 124.0° | 126.0° |
| N6 | C29 | C26 | 107.1° | 107.6° |
| N6 | C29 | H28 | 126.4° | 126.2° |
| C27 | C26 | C29 | 104.2° | 107.6° |
| C27 | C26 | C23 | 128.3° | 126.3° |
| C26 | C27 | H19 | 124.0° | 125.9° |
| C29 | C26 | C23 | 127.5° | 126.2° |
| C26 | C29 | H28 | 126.5° | 126.2° |
| C26 | C23 | C24 | 120.3° | 120.4° |
| C26 | C23 | C22 | 121.0° | 120.4° |
| C23 | C24 | N3 | 124.0° | 121.1° |
| C24 | C23 | C22 | 118.3° | 119.3° |
| C23 | C24 | H18 | 118.0° | 119.5° |
| C24 | N3 | C25 | 118.9° | 121.9° |
| N3 | C24 | H18 | 118.0° | 119.5° |
| C23 | C22 | C21 | 119.8° | 118.3° |
| C23 | C22 | H17 | 120.2° | 120.9° |
| N3 | C25 | C21 | 121.2° | 120.6° |
| N3 | C25 | N4 | 118.1° | 119.7° |
| C22 | C21 | C25 | 117.9° | 118.9° |
| C22 | C21 | C20 | 121.6° | 120.6° |
| C21 | C22 | H17 | 120.1° | 120.8° |
| C21 | C25 | N4 | 120.7° | 119.7° |
| C25 | C21 | C20 | 120.6° | 120.5° |
| C25 | N4 | H26 | 109.5° | 120.0° |
| C25 | N4 | H27 | 109.5° | 120.0° |
| C21 | C20 | O1 | 119.8° | 120.0° |
| C21 | C20 | N2 | 118.9° | 120.0° |
| O1 | C20 | N2 | 121.3° | 119.9° |
| C20 | N2 | C19 | 120.0° | 120.0° |
| C20 | N2 | H32 | 120.0° | 119.9° |
| N2 | C19 | C18 | 113.6° | 110.5° |
| N2 | C19 | C15 | 110.0° | 110.5° |
| N2 | C19 | H16 | 109.7° | 110.5° |
| C19 | N2 | H32 | 120.0° | 120.0° |
| C18 | C19 | C15 | 106.2° | 104.2° |
| C19 | C18 | C17 | 107.2° | 102.7° |
| C18 | C19 | H16 | 108.7° | 110.5° |
| C19 | C18 | H33 | 110.1° | 110.7° |
| C19 | C18 | H34 | 110.0° | 110.8° |
| C19 | C15 | C16 | 105.4° | 106.6° |
| C19 | C15 | O | 111.4° | 110.0° |
| C19 | C15 | H13 | 109.9° | 110.1° |
| C15 | C19 | H16 | 108.5° | 110.5° |
| C18 | C17 | C16 | 109.1° | 104.2° |
| C17 | C18 | H33 | 110.0° | 110.8° |
| C17 | C18 | H34 | 110.0° | 110.8° |
| C18 | C17 | H35 | 109.6° | 110.5° |
| C18 | C17 | H36 | 109.6° | 110.5° |
| C16 | C15 | O | 107.9° | 110.0° |
| C15 | C16 | C17 | 105.4° | 106.6° |
| C16 | C15 | H13 | 110.3° | 110.1° |
| C15 | C16 | H14 | 110.5° | 110.0° |
| C15 | C16 | H15 | 110.5° | 110.0° |
| C15 | O | C14 | 114.3° | 114.0° |
| O | C15 | H13 | 111.8° | 110.0° |
| C17 | C16 | H14 | 110.5° | 110.1° |
| C17 | C16 | H15 | 110.5° | 110.1° |
| C16 | C17 | H35 | 109.5° | 110.4° |
| C16 | C17 | H36 | 109.5° | 110.5° |
| O | C14 | C13 | 111.1° | 109.5° |
| O | C14 | H11 | 109.1° | 109.5° |
| O | C14 | H12 | 109.0° | 109.5° |
| C14 | C13 | C12 | 119.8° | 119.9° |
| C14 | C13 | C30 | 121.9° | 119.8° |
| C13 | C14 | H11 | 109.1° | 109.4° |
| C13 | C14 | H12 | 109.1° | 109.4° |
| C13 | C12 | C11 | 121.1° | 120.1° |
| C12 | C13 | C30 | 118.3° | 120.3° |
| C13 | C12 | H10 | 119.5° | 120.0° |
| C12 | C11 | C10 | 121.2° | 119.9° |
| C12 | C11 | H9 | 119.4° | 120.1° |
| C11 | C12 | H10 | 119.4° | 119.9° |
| C13 | C30 | C31 | 120.8° | 120.0° |
| C13 | C30 | H20 | 119.6° | 120.0° |
| C11 | C10 | C31 | 117.6° | 119.8° |
| C11 | C10 | C7 | 120.8° | 120.1° |
| C10 | C11 | H9 | 119.4° | 120.1° |
| C30 | C31 | C10 | 121.0° | 119.9° |
| C31 | C30 | H20 | 119.6° | 120.0° |
| C30 | C31 | H21 | 119.5° | 120.0° |
| C31 | C10 | C7 | 121.6° | 120.1° |
| C10 | C31 | H21 | 119.5° | 120.1° |
| C10 | C7 | C6 | 121.0° | 120.1° |
| C10 | C7 | C8 | 121.5° | 120.1° |
| C6 | C7 | C8 | 117.5° | 119.8° |
| C7 | C6 | C5 | 121.2° | 119.8° |
| C7 | C6 | H37 | 119.4° | 120.1° |
| C7 | C8 | C9 | 121.0° | 119.9° |
| C7 | C8 | H7 | 119.5° | 120.0° |
| C6 | C5 | C4 | 121.0° | 120.1° |
| C5 | C6 | H37 | 119.4° | 120.1° |
| C6 | C5 | H38 | 119.5° | 119.9° |
| C8 | C9 | C4 | 121.1° | 120.1° |
| C9 | C8 | H7 | 119.5° | 120.1° |
| C8 | C9 | H8 | 119.4° | 119.9° |
| C5 | C4 | C9 | 118.1° | 120.2° |
| C5 | C4 | C3 | 120.4° | 119.9° |
| C4 | C5 | H38 | 119.5° | 119.9° |
| C9 | C4 | C3 | 121.5° | 119.9° |
| C4 | C9 | H8 | 119.4° | 119.9° |
| C4 | C3 | N1 | 110.4° | 109.5° |
| C4 | C3 | H5 | 109.2° | 109.5° |
| C4 | C3 | H6 | 109.2° | 109.5° |
| C3 | N1 | C2 | 112.7° | 111.0° |
| C3 | N1 | C32 | 112.0° | 111.0° |
| N1 | C3 | H5 | 109.2° | 109.5° |
| N1 | C3 | H6 | 109.3° | 109.5° |
| C2 | N1 | C32 | 107.6° | 110.9° |
| N1 | C2 | C1 | 110.0° | 109.4° |
| N1 | C2 | H3 | 109.3° | 109.5° |
| N1 | C2 | H4 | 109.3° | 109.5° |
| N1 | C32 | C33 | 109.7° | 109.4° |
| N1 | C32 | H22 | 109.4° | 109.5° |
| N1 | C32 | H23 | 109.4° | 109.5° |
| C2 | C1 | N | 111.0° | 109.4° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C1 | C2 | H4 | 109.3° | 109.4° |
| C32 | C33 | N | 111.1° | 109.3° |
| C33 | C32 | H22 | 109.4° | 109.5° |
| C33 | C32 | H23 | 109.4° | 109.5° |
| C32 | C33 | H24 | 109.1° | 109.5° |
| C32 | C33 | H25 | 109.1° | 109.5° |
| C1 | N | C33 | 110.2° | 110.9° |
| C1 | N | C | 110.6° | 111.0° |
| N | C1 | H1 | 109.1° | 109.5° |
| N | C1 | H2 | 109.1° | 109.5° |
| C33 | N | C | 110.6° | 111.0° |
| N | C33 | H24 | 109.1° | 109.5° |
| N | C33 | H25 | 109.1° | 109.5° |
| N | C | H41 | 109.5° | 109.5° |
| N | C | H42 | 109.5° | 109.5° |
| N | C | H43 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 110.0° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.6° |
| H26 | N4 | H27 | 109.5° | 120.0° |
| H29 | C28 | H30 | 109.4° | 109.4° |
| H29 | C28 | H31 | 109.5° | 109.4° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 110.8° |
| H35 | C17 | H36 | 109.5° | 110.5° |
| H41 | C | H42 | 109.5° | 109.5° |
| H41 | C | H43 | 109.5° | 109.5° |
| H42 | C | H43 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | N6 | N5 | C29 | 180.0° | 179.7° |
| C28 | N6 | N5 | C27 | 180.0° | 179.7° |
| C28 | N6 | C29 | C26 | 180.0° | 180.0° |
| C28 | N6 | C29 | H28 | 0.0° | 0.0° |
| N6 | C28 | H29 | H30 | 120.0° | 120.0° |
| N6 | C28 | H29 | H31 | 120.0° | 120.0° |
| N6 | C28 | H30 | H31 | 120.0° | 120.1° |
| N6 | N5 | C27 | C26 | 0.0° | 0.3° |
| N5 | N6 | C29 | C26 | 0.0° | 0.3° |
| N6 | N5 | C27 | H19 | 180.0° | 179.8° |
| N5 | N6 | C29 | H28 | 179.9° | 179.8° |
| N5 | N6 | C28 | H29 | 0.0° | 89.7° |
| N5 | N6 | C28 | H30 | 120.0° | 30.3° |
| N5 | N6 | C28 | H31 | 120.0° | 150.3° |
| C27 | N5 | N6 | C29 | 0.0° | 0.0° |
| N5 | C27 | C26 | H19 | 180.0° | 179.5° |
| N5 | C27 | C26 | C29 | 0.0° | 0.5° |
| N5 | C27 | C26 | C23 | 180.0° | 179.6° |
| N6 | C29 | C26 | C27 | 0.0° | 0.5° |
| N6 | C29 | C26 | H28 | 180.0° | 179.9° |
| N6 | C29 | C26 | C23 | 180.0° | 179.6° |
| C29 | N6 | C28 | H29 | 180.0° | 90.0° |
| C29 | N6 | C28 | H30 | 60.0° | 150.0° |
| C29 | N6 | C28 | H31 | 60.0° | 30.0° |
| C27 | C26 | C29 | C23 | 180.0° | 179.9° |
| C27 | C26 | C23 | C24 | 14.7° | 179.9° |
| C27 | C26 | C23 | C22 | 158.0° | 0.2° |
| C27 | C26 | C29 | H28 | 180.0° | 179.6° |
| C29 | C26 | C23 | C24 | 165.4° | 0.0° |
| C29 | C26 | C23 | C22 | 22.0° | 179.7° |
| C29 | C26 | C27 | H19 | 180.0° | 180.0° |
| C26 | C23 | C24 | C22 | 172.9° | 179.7° |
| C26 | C23 | C24 | N3 | 172.8° | 180.0° |
| C26 | C23 | C22 | C21 | 172.8° | 179.7° |
| C26 | C23 | C22 | H17 | 7.2° | 0.3° |
| C26 | C23 | C24 | H18 | 7.2° | 0.3° |
| C23 | C26 | C27 | H19 | 0.0° | 0.1° |
| C23 | C26 | C29 | H28 | 0.0° | 0.3° |
| C23 | C24 | N3 | H18 | 180.0° | 179.7° |
| C23 | C24 | N3 | C25 | 0.0° | 0.3° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C24 | C23 | C22 | H17 | 180.0° | 180.0° |
| N3 | C24 | C23 | C22 | 0.0° | 0.3° |
| C24 | N3 | C25 | C21 | 0.0° | 0.0° |
| C24 | N3 | C25 | N4 | 180.0° | 180.0° |
| C23 | C22 | C21 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | C25 | 0.0° | 0.3° |
| C23 | C22 | C21 | C20 | 180.0° | 180.0° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| N3 | C25 | C21 | C22 | 0.0° | 0.3° |
| N3 | C25 | C21 | N4 | 180.0° | 180.0° |
| N3 | C25 | C21 | C20 | 180.0° | 180.0° |
| C25 | N3 | C24 | H18 | 180.0° | 180.0° |
| N3 | C25 | N4 | H26 | 0.0° | 174.5° |
| N3 | C25 | N4 | H27 | 120.0° | 5.6° |
| C22 | C21 | C25 | C20 | 180.0° | 179.7° |
| C22 | C21 | C25 | N4 | 180.0° | 179.7° |
| C22 | C21 | C20 | O1 | 157.0° | 174.1° |
| C22 | C21 | C20 | N2 | 23.0° | 5.9° |
| C25 | C21 | C20 | O1 | 22.9° | 6.2° |
| C25 | C21 | C20 | N2 | 157.0° | 173.8° |
| C25 | C21 | C22 | H17 | 180.0° | 179.7° |
| C21 | C25 | N4 | H26 | 179.9° | 5.5° |
| C21 | C25 | N4 | H27 | 60.1° | 174.5° |
| N4 | C25 | C21 | C20 | 0.1° | 0.0° |
| C25 | N4 | H26 | H27 | 120.0° | 180.0° |
| C21 | C20 | O1 | N2 | 179.9° | 180.0° |
| C21 | C20 | N2 | C19 | 173.3° | 180.0° |
| C20 | C21 | C22 | H17 | 0.0° | 0.0° |
| C21 | C20 | N2 | H32 | 6.7° | 0.0° |
| O1 | C20 | N2 | C19 | 6.6° | 0.0° |
| O1 | C20 | N2 | H32 | 173.4° | 179.9° |
| C20 | N2 | C19 | H32 | 180.0° | 180.0° |
| C20 | N2 | C19 | C18 | 170.1° | 86.5° |
| C20 | N2 | C19 | C15 | 71.1° | 158.8° |
| C20 | N2 | C19 | H16 | 48.2° | 36.1° |
| N2 | C19 | C18 | C15 | 120.9° | 118.6° |
| N2 | C19 | C18 | H16 | 122.5° | 122.7° |
| N2 | C19 | C15 | H16 | 120.0° | 122.7° |
| N2 | C19 | C18 | C17 | 110.7° | 156.6° |
| N2 | C19 | C15 | C16 | 100.5° | 142.3° |
| N2 | C19 | C15 | O | 142.7° | 98.5° |
| N2 | C19 | C15 | H13 | 18.2° | 22.9° |
| N2 | C19 | C18 | H33 | 129.7° | 85.1° |
| N2 | C19 | C18 | H34 | 8.9° | 38.3° |
| C18 | C19 | C15 | H16 | 116.7° | 118.7° |
| C19 | C18 | C17 | H33 | 119.7° | 118.3° |
| C19 | C18 | C17 | H34 | 119.6° | 118.3° |
| C18 | C19 | C15 | C16 | 22.7° | 23.6° |
| C18 | C19 | C15 | O | 94.0° | 142.9° |
| C19 | C18 | C17 | C16 | 6.3° | 38.0° |
| C18 | C19 | C15 | H13 | 141.5° | 95.7° |
| C18 | C19 | N2 | H32 | 9.9° | 93.5° |
| C19 | C18 | H33 | H34 | 121.1° | 123.3° |
| C19 | C18 | C17 | H35 | 113.6° | 156.6° |
| C19 | C18 | C17 | H36 | 126.2° | 80.7° |
| C15 | C19 | C18 | C17 | 10.2° | 38.0° |
| C19 | C15 | C16 | O | 119.1° | 119.2° |
| C19 | C15 | C16 | H13 | 118.5° | 119.4° |
| C19 | C15 | O | H13 | 123.4° | 121.5° |
| C19 | C15 | C16 | C17 | 26.3° | 0.0° |
| C19 | C15 | O | C14 | 85.5° | 151.4° |
| C19 | C15 | C16 | H14 | 93.0° | 119.4° |
| C19 | C15 | C16 | H15 | 145.7° | 119.3° |
| C15 | C19 | N2 | H32 | 108.9° | 21.2° |
| C15 | C19 | C18 | H33 | 109.4° | 156.3° |
| C15 | C19 | C18 | H34 | 129.9° | 80.4° |
| C18 | C17 | C16 | C15 | 20.6° | 23.6° |
| C18 | C17 | C16 | H35 | 120.0° | 118.6° |
| C18 | C17 | C16 | H36 | 120.0° | 118.7° |
| C18 | C17 | C16 | H14 | 98.8° | 95.6° |
| C18 | C17 | C16 | H15 | 140.0° | 142.9° |
| C17 | C18 | C19 | H16 | 126.8° | 80.7° |
| C17 | C18 | H33 | H34 | 121.0° | 123.4° |
| C18 | C17 | H35 | H36 | 120.2° | 122.6° |
| C16 | C15 | O | H13 | 121.4° | 121.4° |
| C15 | C16 | C17 | H14 | 119.4° | 119.3° |
| C15 | C16 | C17 | H15 | 119.4° | 119.3° |
| C16 | C15 | O | C14 | 159.3° | 91.5° |
| C15 | C16 | H14 | H15 | 121.9° | 121.4° |
| C16 | C15 | C19 | H16 | 139.4° | 95.0° |
| C15 | C16 | C17 | H35 | 99.4° | 142.3° |
| C15 | C16 | C17 | H36 | 140.5° | 95.1° |
| O | C15 | C16 | C17 | 92.8° | 119.2° |
| C15 | O | C14 | C13 | 166.9° | 180.0° |
| C15 | O | C14 | H11 | 72.9° | 60.0° |
| C15 | O | C14 | H12 | 46.6° | 60.0° |
| O | C15 | C16 | H14 | 147.9° | 121.4° |
| O | C15 | C16 | H15 | 26.6° | 0.1° |
| O | C15 | C19 | H16 | 22.7° | 24.2° |
| C17 | C16 | C15 | H13 | 144.8° | 119.4° |
| C17 | C16 | H14 | H15 | 121.8° | 121.5° |
| C16 | C17 | C18 | H33 | 126.0° | 156.3° |
| C16 | C17 | C18 | H34 | 113.3° | 80.3° |
| C16 | C17 | H35 | H36 | 120.1° | 122.6° |
| O | C14 | C13 | H11 | 120.2° | 120.0° |
| O | C14 | C13 | H12 | 120.2° | 120.1° |
| O | C14 | C13 | C12 | 58.0° | 90.0° |
| O | C14 | C13 | C30 | 121.9° | 89.9° |
| O | C14 | H11 | H12 | 119.2° | 120.1° |
| C14 | O | C15 | H13 | 37.9° | 29.9° |
| C14 | C13 | C12 | C30 | 179.9° | 179.9° |
| C14 | C13 | C12 | C11 | 180.0° | 179.9° |
| C14 | C13 | C30 | C31 | 180.0° | 179.9° |
| C14 | C13 | C12 | H10 | 0.0° | 0.1° |
| C13 | C14 | H11 | H12 | 119.3° | 119.9° |
| C14 | C13 | C30 | H20 | 0.0° | 0.2° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C30 | C31 | 0.1° | 0.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | H11 | 178.3° | 150.0° |
| C12 | C13 | C14 | H12 | 62.2° | 30.1° |
| C12 | C13 | C30 | H20 | 179.9° | 179.9° |
| C11 | C12 | C13 | C30 | 0.1° | 0.0° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | C31 | 0.1° | 0.1° |
| C12 | C11 | C10 | C7 | 180.0° | 179.7° |
| C13 | C30 | C31 | H20 | 180.0° | 179.9° |
| C13 | C30 | C31 | C10 | 0.1° | 0.0° |
| C30 | C13 | C12 | H10 | 179.9° | 180.0° |
| C30 | C13 | C14 | H11 | 1.7° | 30.1° |
| C30 | C13 | C14 | H12 | 117.9° | 150.0° |
| C13 | C30 | C31 | H21 | 179.9° | 179.8° |
| C11 | C10 | C31 | C30 | 0.1° | 0.0° |
| C11 | C10 | C31 | C7 | 179.9° | 179.7° |
| C11 | C10 | C7 | C6 | 18.8° | 0.3° |
| C11 | C10 | C7 | C8 | 161.3° | 180.0° |
| C10 | C11 | C12 | H10 | 179.9° | 180.0° |
| C11 | C10 | C31 | H21 | 179.9° | 179.7° |
| C30 | C31 | C10 | H21 | 180.0° | 179.8° |
| C30 | C31 | C10 | C7 | 180.0° | 179.7° |
| C31 | C10 | C7 | C6 | 161.3° | 180.0° |
| C31 | C10 | C7 | C8 | 18.7° | 0.3° |
| C31 | C10 | C11 | H9 | 180.0° | 180.0° |
| C10 | C31 | C30 | H20 | 179.9° | 179.9° |
| C10 | C7 | C6 | C8 | 180.0° | 179.7° |
| C10 | C7 | C6 | C5 | 180.0° | 179.7° |
| C10 | C7 | C8 | C9 | 180.0° | 179.7° |
| C10 | C7 | C8 | H7 | 0.0° | 0.3° |
| C7 | C10 | C11 | H9 | 0.0° | 0.3° |
| C7 | C10 | C31 | H21 | 0.0° | 0.1° |
| C10 | C7 | C6 | H37 | 0.0° | 0.3° |
| C7 | C6 | C5 | H37 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | H38 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 0.1° | 0.0° |
| C7 | C8 | C9 | H8 | 179.9° | 180.0° |
| C8 | C7 | C6 | H37 | 180.0° | 180.0° |
| C6 | C5 | C4 | H38 | 180.0° | 179.9° |
| C6 | C5 | C4 | C9 | 0.0° | 0.1° |
| C6 | C5 | C4 | C3 | 180.0° | 180.0° |
| C8 | C9 | C4 | C5 | 0.0° | 0.0° |
| C8 | C9 | C4 | H8 | 180.0° | 180.0° |
| C8 | C9 | C4 | C3 | 180.0° | 179.9° |
| C5 | C4 | C9 | C3 | 180.0° | 179.9° |
| C5 | C4 | C3 | N1 | 52.3° | 90.0° |
| C5 | C4 | C3 | H5 | 172.4° | 30.0° |
| C5 | C4 | C3 | H6 | 67.9° | 149.9° |
| C5 | C4 | C9 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | H37 | 180.0° | 180.0° |
| C9 | C4 | C3 | N1 | 127.8° | 90.0° |
| C9 | C4 | C3 | H5 | 7.6° | 150.0° |
| C9 | C4 | C3 | H6 | 112.1° | 30.0° |
| C4 | C9 | C8 | H7 | 180.0° | 180.0° |
| C9 | C4 | C5 | H38 | 180.0° | 180.0° |
| C4 | C3 | N1 | H5 | 120.1° | 120.0° |
| C4 | C3 | N1 | H6 | 120.1° | 120.1° |
| C4 | C3 | N1 | C2 | 170.5° | 170.0° |
| C4 | C3 | N1 | C32 | 68.0° | 66.2° |
| C4 | C3 | H5 | H6 | 119.6° | 120.0° |
| C3 | C4 | C9 | H8 | 0.0° | 0.1° |
| C3 | C4 | C5 | H38 | 0.0° | 0.1° |
| C3 | N1 | C2 | C32 | 123.9° | 123.9° |
| C3 | N1 | C2 | C1 | 175.3° | 176.8° |
| C3 | N1 | C32 | C33 | 172.6° | 176.8° |
| C3 | N1 | C2 | H3 | 64.7° | 56.8° |
| C3 | N1 | C2 | H4 | 55.2° | 63.3° |
| N1 | C3 | H5 | H6 | 119.6° | 120.0° |
| C3 | N1 | C32 | H22 | 52.5° | 63.2° |
| C3 | N1 | C32 | H23 | 67.4° | 56.8° |
| N1 | C2 | C1 | H3 | 120.1° | 120.0° |
| N1 | C2 | C1 | H4 | 120.1° | 119.9° |
| C2 | N1 | C32 | C33 | 63.1° | 59.3° |
| N1 | C2 | C1 | N | 57.1° | 58.4° |
| N1 | C2 | C1 | H1 | 177.4° | 178.4° |
| N1 | C2 | C1 | H2 | 63.1° | 61.6° |
| N1 | C2 | H3 | H4 | 119.7° | 120.1° |
| C2 | N1 | C3 | H5 | 69.4° | 70.0° |
| C2 | N1 | C3 | H6 | 50.4° | 49.9° |
| C2 | N1 | C32 | H22 | 176.9° | 60.7° |
| C2 | N1 | C32 | H23 | 56.9° | 179.3° |
| C32 | N1 | C2 | C1 | 60.8° | 59.3° |
| N1 | C32 | C33 | H22 | 120.0° | 120.0° |
| N1 | C32 | C33 | H23 | 120.0° | 120.0° |
| N1 | C32 | C33 | N | 61.3° | 58.4° |
| C32 | N1 | C2 | H3 | 59.3° | 179.3° |
| C32 | N1 | C2 | H4 | 179.1° | 60.6° |
| C32 | N1 | C3 | H5 | 52.1° | 53.8° |
| C32 | N1 | C3 | H6 | 171.9° | 173.7° |
| N1 | C32 | H22 | H23 | 119.9° | 120.0° |
| N1 | C32 | C33 | H24 | 58.9° | 61.5° |
| N1 | C32 | C33 | H25 | 178.4° | 178.3° |
| C2 | C1 | N | H1 | 120.2° | 120.0° |
| C2 | C1 | N | H2 | 120.3° | 120.0° |
| C2 | C1 | N | C33 | 53.5° | 59.3° |
| C2 | C1 | N | C | 176.2° | 176.8° |
| C2 | C1 | H1 | H2 | 119.3° | 120.0° |
| C1 | C2 | H3 | H4 | 119.7° | 120.0° |
| C32 | C33 | N | C1 | 55.9° | 59.3° |
| C32 | C33 | N | H24 | 120.2° | 119.9° |
| C32 | C33 | N | H25 | 120.2° | 119.9° |
| C32 | C33 | N | C | 178.5° | 176.8° |
| C33 | C32 | H22 | H23 | 119.9° | 120.1° |
| C32 | C33 | H24 | H25 | 119.3° | 120.1° |
| C1 | N | C33 | C | 122.6° | 123.9° |
| N | C1 | H1 | H2 | 119.3° | 120.0° |
| N | C1 | C2 | H3 | 62.9° | 178.4° |
| N | C1 | C2 | H4 | 177.2° | 61.6° |
| C1 | N | C33 | H24 | 64.3° | 60.6° |
| C1 | N | C33 | H25 | 176.2° | 179.2° |
| C1 | N | C | H41 | 180.0° | 60.0° |
| C1 | N | C | H42 | 60.0° | 180.0° |
| C1 | N | C | H43 | 60.0° | 60.0° |
| C33 | N | C1 | H1 | 173.7° | 179.3° |
| C33 | N | C1 | H2 | 66.7° | 60.7° |
| N | C33 | C32 | H22 | 178.6° | 61.6° |
| N | C33 | C32 | H23 | 58.7° | 178.4° |
| N | C33 | H24 | H25 | 119.3° | 120.1° |
| C33 | N | C | H41 | 57.6° | 63.8° |
| C33 | N | C | H42 | 177.6° | 56.2° |
| C33 | N | C | H43 | 62.4° | 176.2° |
| C | N | C1 | H1 | 63.6° | 56.8° |
| C | N | C1 | H2 | 55.9° | 63.2° |
| C | N | C33 | H24 | 58.3° | 63.3° |
| C | N | C33 | H25 | 61.2° | 56.9° |
| N | C | H41 | H42 | 120.0° | 120.0° |
| N | C | H41 | H43 | 120.0° | 120.0° |
| N | C | H42 | H43 | 120.0° | 119.9° |
| H1 | C1 | C2 | H3 | 57.3° | 61.6° |
| H1 | C1 | C2 | H4 | 62.6° | 58.5° |
| H2 | C1 | C2 | H3 | 176.8° | 58.4° |
| H2 | C1 | C2 | H4 | 57.0° | 178.4° |
| H7 | C8 | C9 | H8 | 0.0° | 0.0° |
| H9 | C11 | C12 | H10 | 0.1° | 0.0° |
| H13 | C15 | C16 | H14 | 25.5° | 0.0° |
| H13 | C15 | C16 | H15 | 95.8° | 121.3° |
| H13 | C15 | C19 | H16 | 101.8° | 145.6° |
| H14 | C16 | C17 | H35 | 141.3° | 23.0° |
| H14 | C16 | C17 | H36 | 21.2° | 145.6° |
| H15 | C16 | C17 | H35 | 20.0° | 98.4° |
| H15 | C16 | C17 | H36 | 100.1° | 24.2° |
| H16 | C19 | N2 | H32 | 131.8° | 143.9° |
| H16 | C19 | C18 | H33 | 7.2° | 37.6° |
| H16 | C19 | C18 | H34 | 113.6° | 160.9° |
| H20 | C30 | C31 | H21 | 0.1° | 0.3° |
| H22 | C32 | C33 | H24 | 61.2° | 178.5° |
| H22 | C32 | C33 | H25 | 58.4° | 58.4° |
| H23 | C32 | C33 | H24 | 178.9° | 58.4° |
| H23 | C32 | C33 | H25 | 61.6° | 61.7° |
| H29 | C28 | H30 | H31 | 120.0° | 119.9° |
| H33 | C18 | C17 | H35 | 6.0° | 85.1° |
| H33 | C18 | C17 | H36 | 114.1° | 37.5° |
| H34 | C18 | C17 | H35 | 126.7° | 38.3° |
| H34 | C18 | C17 | H36 | 6.6° | 160.9° |
| H37 | C6 | C5 | H38 | 0.0° | 0.0° |
| H41 | C | H42 | H43 | 120.0° | 120.0° |
