QHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C23 | doub | 1.22Å | 1.25Å | |
| O3 | C23 | sing | 1.35Å | 1.25Å | |
| C23 | C21 | sing | 1.47Å | 1.49Å | |
| C21 | C22 | doub | 1.36Å | 1.40Å | Aromatic |
| C21 | N4 | sing | 1.38Å | 1.33Å | Aromatic |
| C24 | C22 | sing | 1.51Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C37 | C12 | sing | 1.51Å | 1.57Å | |
| C22 | C17 | sing | 1.42Å | 1.45Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| N4 | C16 | sing | 1.37Å | 1.35Å | Aromatic |
| C14 | N3 | sing | 1.46Å | 1.44Å | |
| C17 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.43Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | O4 | sing | 1.43Å | 1.43Å | |
| N3 | N2 | sing | 1.40Å | 1.32Å | Aromatic |
| O4 | C27 | sing | 1.36Å | 1.41Å | |
| C33 | C34 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | C13 | sing | 1.48Å | 1.58Å | |
| C15 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C11 | sing | 1.41Å | 1.44Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.42Å | Aromatic |
| C27 | C32 | doub | 1.37Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.42Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C35 | C36 | doub | 1.36Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| O1 | C10 | sing | 1.43Å | 1.43Å | |
| O1 | C8 | sing | 1.36Å | 1.43Å | |
| C29 | C36 | sing | 1.41Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.36Å | 1.41Å | Aromatic |
| C6 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.42Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.40Å | Aromatic |
| C5 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C1 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| O3 | H28 | sing | 0.97Å | 0.95Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C23 | O3 | 120.6° | 120.0° |
| O2 | C23 | C21 | 119.1° | 120.0° |
| O3 | C23 | C21 | 120.3° | 120.0° |
| C23 | O3 | H28 | 109.5° | 117.0° |
| C23 | C21 | C22 | 127.5° | 125.5° |
| C23 | C21 | N4 | 121.8° | 125.4° |
| C22 | C21 | N4 | 110.7° | 109.1° |
| C21 | C22 | C24 | 128.7° | 126.1° |
| C21 | C22 | C17 | 104.1° | 107.7° |
| C21 | N4 | C16 | 109.7° | 108.8° |
| C21 | N4 | H19 | 125.1° | 125.7° |
| C22 | C24 | C25 | 113.7° | 109.5° |
| C24 | C22 | C17 | 127.2° | 126.2° |
| C22 | C24 | H7 | 108.4° | 109.4° |
| C22 | C24 | H8 | 108.4° | 109.4° |
| C24 | C25 | C26 | 111.3° | 109.5° |
| C25 | C24 | H7 | 108.4° | 109.5° |
| C25 | C24 | H8 | 108.4° | 109.5° |
| C24 | C25 | H20 | 109.0° | 109.5° |
| C24 | C25 | H21 | 109.0° | 109.5° |
| C37 | C12 | N3 | 126.2° | 126.2° |
| C37 | C12 | C13 | 126.9° | 126.2° |
| C12 | C37 | H30 | 109.5° | 109.5° |
| C12 | C37 | H31 | 109.5° | 109.5° |
| C12 | C37 | H32 | 109.5° | 109.5° |
| C22 | C17 | C16 | 106.5° | 107.0° |
| C22 | C17 | C18 | 133.4° | 133.3° |
| C25 | C26 | O4 | 105.3° | 109.4° |
| C25 | C26 | H9 | 110.5° | 109.5° |
| C25 | C26 | H10 | 110.5° | 109.5° |
| C26 | C25 | H20 | 109.0° | 109.4° |
| C26 | C25 | H21 | 109.0° | 109.4° |
| N4 | C16 | C17 | 108.9° | 107.5° |
| N4 | C16 | C15 | 130.5° | 133.2° |
| C16 | N4 | H19 | 125.1° | 125.6° |
| C14 | N3 | C12 | 124.4° | 125.9° |
| C14 | N3 | N2 | 125.5° | 125.9° |
| N3 | C14 | H14 | 109.5° | 109.5° |
| N3 | C14 | H15 | 109.5° | 109.5° |
| N3 | C14 | H16 | 109.5° | 109.5° |
| C16 | C17 | C18 | 120.1° | 119.7° |
| C17 | C16 | C15 | 120.6° | 119.4° |
| C17 | C18 | C19 | 118.7° | 120.1° |
| C17 | C18 | H17 | 120.6° | 120.0° |
| N3 | C12 | C13 | 106.9° | 107.6° |
| C12 | N3 | N2 | 110.1° | 108.2° |
| C12 | C13 | C15 | 126.4° | 126.2° |
| C12 | C13 | C11 | 105.0° | 107.6° |
| C16 | C15 | C13 | 120.5° | 120.2° |
| C16 | C15 | C20 | 119.4° | 119.6° |
| C26 | O4 | C27 | 116.2° | 117.0° |
| O4 | C26 | H9 | 110.5° | 109.5° |
| O4 | C26 | H10 | 110.5° | 109.5° |
| N3 | N2 | C11 | 111.9° | 108.5° |
| O4 | C27 | C28 | 118.4° | 120.2° |
| O4 | C27 | C32 | 120.6° | 120.3° |
| C34 | C33 | C28 | 118.7° | 119.7° |
| C33 | C34 | C35 | 121.0° | 120.9° |
| C34 | C33 | H25 | 120.7° | 120.1° |
| C33 | C34 | H26 | 119.5° | 119.5° |
| C33 | C28 | C27 | 119.3° | 121.3° |
| C33 | C28 | C29 | 120.4° | 119.4° |
| C28 | C33 | H25 | 120.7° | 120.2° |
| C18 | C19 | C20 | 121.5° | 120.7° |
| C19 | C18 | H17 | 120.6° | 120.0° |
| C18 | C19 | H18 | 119.2° | 119.6° |
| C13 | C15 | C20 | 120.1° | 120.2° |
| C15 | C13 | C11 | 128.5° | 126.2° |
| C15 | C20 | C19 | 119.6° | 120.5° |
| C15 | C20 | H6 | 120.2° | 119.7° |
| C13 | C11 | N2 | 106.1° | 108.1° |
| C13 | C11 | C10 | 126.7° | 125.9° |
| C34 | C35 | C36 | 119.7° | 121.0° |
| C35 | C34 | H26 | 119.5° | 119.5° |
| C34 | C35 | H27 | 120.2° | 119.5° |
| N2 | C11 | C10 | 127.2° | 126.0° |
| C28 | C27 | C32 | 121.0° | 119.5° |
| C27 | C28 | C29 | 120.3° | 119.3° |
| C27 | C32 | C31 | 118.5° | 120.9° |
| C27 | C32 | H24 | 120.8° | 119.5° |
| C19 | C20 | H6 | 120.2° | 119.8° |
| C20 | C19 | H18 | 119.2° | 119.6° |
| C28 | C29 | C36 | 120.7° | 119.3° |
| C28 | C29 | C30 | 119.2° | 119.4° |
| C11 | C10 | O1 | 105.0° | 109.5° |
| C11 | C10 | H4 | 110.6° | 109.5° |
| C11 | C10 | H5 | 110.6° | 109.4° |
| C35 | C36 | C29 | 119.6° | 119.7° |
| C36 | C35 | H27 | 120.2° | 119.6° |
| C35 | C36 | H29 | 120.2° | 120.2° |
| C32 | C31 | C30 | 120.7° | 121.1° |
| C32 | C31 | H23 | 119.6° | 119.5° |
| C31 | C32 | H24 | 120.8° | 119.5° |
| C10 | O1 | C8 | 115.2° | 117.0° |
| O1 | C10 | H4 | 110.6° | 109.5° |
| O1 | C10 | H5 | 110.6° | 109.5° |
| O1 | C8 | C7 | 119.7° | 119.5° |
| O1 | C8 | C9 | 120.3° | 119.5° |
| C36 | C29 | C30 | 120.1° | 121.3° |
| C29 | C36 | H29 | 120.2° | 120.2° |
| C29 | C30 | C31 | 120.2° | 119.8° |
| C29 | C30 | H22 | 119.9° | 120.1° |
| C8 | C7 | C6 | 120.3° | 121.0° |
| C7 | C8 | C9 | 119.9° | 121.0° |
| C8 | C7 | H3 | 119.8° | 119.5° |
| C7 | C6 | C3 | 120.1° | 119.6° |
| C7 | C6 | H2 | 120.0° | 120.2° |
| C6 | C7 | H3 | 119.9° | 119.6° |
| C8 | C9 | C4 | 119.4° | 119.5° |
| C8 | C9 | H13 | 120.3° | 120.3° |
| C31 | C30 | H22 | 119.9° | 120.2° |
| C30 | C31 | H23 | 119.7° | 119.5° |
| C6 | C3 | C4 | 119.3° | 119.6° |
| C6 | C3 | C2 | 123.1° | 122.2° |
| C3 | C6 | H2 | 120.0° | 120.2° |
| C9 | C4 | C3 | 121.0° | 119.4° |
| C9 | C4 | C5 | 119.9° | 122.1° |
| C4 | C9 | H13 | 120.3° | 120.2° |
| C4 | C3 | C2 | 117.6° | 118.2° |
| C3 | C4 | C5 | 119.1° | 118.5° |
| C3 | C2 | C1 | 118.7° | 118.7° |
| C3 | C2 | H12 | 120.7° | 120.6° |
| C4 | C5 | N1 | 122.0° | 119.9° |
| C4 | C5 | H1 | 119.0° | 120.0° |
| C2 | C1 | N1 | 121.8° | 121.9° |
| C2 | C1 | H11 | 119.1° | 119.1° |
| C1 | C2 | H12 | 120.7° | 120.7° |
| C5 | N1 | C1 | 120.7° | 122.8° |
| N1 | C5 | H1 | 119.0° | 120.1° |
| N1 | C1 | H11 | 119.1° | 119.1° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.4° | 109.5° |
| H30 | C37 | H31 | 109.5° | 109.5° |
| H30 | C37 | H32 | 109.5° | 109.5° |
| H31 | C37 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C23 | O3 | C21 | 179.1° | 180.0° |
| O2 | C23 | C21 | C22 | 161.5° | 0.0° |
| O2 | C23 | C21 | N4 | 18.2° | 180.0° |
| O2 | C23 | O3 | H28 | 0.0° | 0.1° |
| O3 | C23 | C21 | C22 | 19.4° | 180.0° |
| O3 | C23 | C21 | N4 | 160.9° | 0.0° |
| C23 | C21 | C22 | N4 | 179.8° | 180.0° |
| C23 | C21 | C22 | C24 | 0.6° | 0.1° |
| C23 | C21 | C22 | C17 | 179.6° | 180.0° |
| C23 | C21 | N4 | C16 | 180.0° | 180.0° |
| C23 | C21 | N4 | H19 | 0.0° | 0.0° |
| C21 | C23 | O3 | H28 | 179.0° | 180.0° |
| C21 | C22 | C24 | C17 | 178.8° | 179.9° |
| C21 | C22 | C24 | C25 | 83.8° | 90.0° |
| C22 | C21 | N4 | C16 | 0.2° | 0.0° |
| C21 | C22 | C17 | C16 | 0.5° | 0.0° |
| C21 | C22 | C17 | C18 | 179.7° | 180.0° |
| C21 | C22 | C24 | H7 | 36.9° | 150.0° |
| C21 | C22 | C24 | H8 | 155.6° | 30.1° |
| C22 | C21 | N4 | H19 | 179.8° | 180.0° |
| N4 | C21 | C22 | C24 | 179.2° | 179.9° |
| N4 | C21 | C22 | C17 | 0.2° | 0.0° |
| C21 | N4 | C16 | H19 | 180.0° | 180.0° |
| C21 | N4 | C16 | C17 | 0.5° | 0.0° |
| C21 | N4 | C16 | C15 | 179.9° | 180.0° |
| C22 | C24 | C25 | H7 | 120.6° | 119.9° |
| C22 | C24 | C25 | H8 | 120.6° | 120.0° |
| C22 | C24 | C25 | C26 | 71.7° | 180.0° |
| C24 | C22 | C17 | C16 | 179.5° | 180.0° |
| C24 | C22 | C17 | C18 | 1.3° | 0.1° |
| C22 | C24 | H7 | H8 | 118.1° | 119.9° |
| C22 | C24 | C25 | H20 | 48.6° | 60.1° |
| C22 | C24 | C25 | H21 | 168.0° | 60.0° |
| C25 | C24 | C22 | C17 | 97.5° | 89.9° |
| C24 | C25 | C26 | H20 | 120.3° | 120.0° |
| C24 | C25 | C26 | H21 | 120.3° | 120.0° |
| C24 | C25 | C26 | O4 | 56.7° | 180.0° |
| C25 | C24 | H7 | H8 | 118.1° | 120.1° |
| C24 | C25 | C26 | H9 | 62.6° | 60.0° |
| C24 | C25 | C26 | H10 | 176.0° | 60.0° |
| C24 | C25 | H20 | H21 | 119.2° | 120.1° |
| C37 | C12 | N3 | C14 | 0.4° | 0.3° |
| C37 | C12 | N3 | C13 | 179.9° | 179.9° |
| C37 | C12 | N3 | N2 | 179.7° | 180.0° |
| C37 | C12 | C13 | C15 | 0.7° | 0.0° |
| C37 | C12 | C13 | C11 | 179.4° | 180.0° |
| C12 | C37 | H30 | H31 | 120.0° | 120.0° |
| C12 | C37 | H30 | H32 | 120.0° | 120.0° |
| C12 | C37 | H31 | H32 | 120.0° | 120.0° |
| C22 | C17 | C16 | N4 | 0.6° | 0.1° |
| C22 | C17 | C16 | C18 | 179.3° | 180.0° |
| C22 | C17 | C16 | C15 | 179.8° | 180.0° |
| C22 | C17 | C18 | C19 | 179.3° | 179.7° |
| C17 | C22 | C24 | H7 | 141.9° | 30.1° |
| C17 | C22 | C24 | H8 | 23.1° | 150.0° |
| C22 | C17 | C18 | H17 | 0.8° | 0.0° |
| C25 | C26 | O4 | H9 | 119.3° | 120.0° |
| C25 | C26 | O4 | H10 | 119.3° | 120.0° |
| C25 | C26 | O4 | C27 | 172.2° | 180.0° |
| C26 | C25 | C24 | H7 | 167.7° | 60.0° |
| C26 | C25 | C24 | H8 | 48.9° | 60.0° |
| C25 | C26 | H9 | H10 | 121.9° | 120.0° |
| C26 | C25 | H20 | H21 | 119.2° | 119.9° |
| N4 | C16 | C17 | C15 | 179.6° | 179.9° |
| N4 | C16 | C17 | C18 | 180.0° | 180.0° |
| N4 | C16 | C15 | C13 | 0.6° | 0.1° |
| N4 | C16 | C15 | C20 | 179.4° | 179.8° |
| C14 | N3 | C12 | N2 | 179.9° | 179.7° |
| C14 | N3 | C12 | C13 | 179.5° | 179.8° |
| C14 | N3 | N2 | C11 | 180.0° | 179.7° |
| N3 | C14 | H14 | H15 | 120.0° | 120.0° |
| N3 | C14 | H14 | H16 | 120.0° | 120.1° |
| N3 | C14 | H15 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | C15 | C13 | 178.9° | 180.0° |
| C17 | C16 | C15 | C20 | 0.1° | 0.3° |
| C16 | C17 | C18 | H17 | 179.9° | 179.9° |
| C17 | C16 | N4 | H19 | 179.4° | 180.0° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C17 | C18 | C19 | H17 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.7° | 0.3° |
| C17 | C18 | C19 | H18 | 179.3° | 180.0° |
| N3 | C12 | C13 | C15 | 179.5° | 180.0° |
| N3 | C12 | C13 | C11 | 0.7° | 0.1° |
| C12 | N3 | N2 | C11 | 0.1° | 0.0° |
| C12 | N3 | C14 | H14 | 179.9° | 90.3° |
| C12 | N3 | C14 | H15 | 60.1° | 29.7° |
| C12 | N3 | C14 | H16 | 59.9° | 149.6° |
| N3 | C12 | C37 | H30 | 90.1° | 90.0° |
| N3 | C12 | C37 | H31 | 149.9° | 150.0° |
| N3 | C12 | C37 | H32 | 30.0° | 30.1° |
| C12 | C13 | C15 | C16 | 64.0° | 89.7° |
| C13 | C12 | N3 | N2 | 0.4° | 0.1° |
| C12 | C13 | C15 | C11 | 178.5° | 180.0° |
| C12 | C13 | C15 | C20 | 114.8° | 90.0° |
| C12 | C13 | C11 | N2 | 0.8° | 0.0° |
| C12 | C13 | C11 | C10 | 179.7° | 179.9° |
| C13 | C12 | C37 | H30 | 90.1° | 89.9° |
| C13 | C12 | C37 | H31 | 29.9° | 30.1° |
| C13 | C12 | C37 | H32 | 149.9° | 150.0° |
| C16 | C15 | C13 | C20 | 178.8° | 179.7° |
| C16 | C15 | C13 | C11 | 117.5° | 90.3° |
| C16 | C15 | C20 | C19 | 0.9° | 0.3° |
| C16 | C15 | C20 | H6 | 179.1° | 179.7° |
| C15 | C16 | N4 | H19 | 0.1° | 0.0° |
| C26 | O4 | C27 | C28 | 172.3° | 180.0° |
| C26 | O4 | C27 | C32 | 8.6° | 0.0° |
| O4 | C26 | H9 | H10 | 121.9° | 120.0° |
| O4 | C26 | C25 | H20 | 177.0° | 60.0° |
| O4 | C26 | C25 | H21 | 63.6° | 60.0° |
| N3 | N2 | C11 | C13 | 0.5° | 0.0° |
| N3 | N2 | C11 | C10 | 179.5° | 180.0° |
| N2 | N3 | C14 | H14 | 0.0° | 90.1° |
| N2 | N3 | C14 | H15 | 120.0° | 149.9° |
| N2 | N3 | C14 | H16 | 120.0° | 30.0° |
| O4 | C27 | C28 | C33 | 0.2° | 0.3° |
| O4 | C27 | C28 | C32 | 179.1° | 180.0° |
| O4 | C27 | C28 | C29 | 179.9° | 180.0° |
| O4 | C27 | C32 | C31 | 179.8° | 180.0° |
| C27 | O4 | C26 | H9 | 68.4° | 60.0° |
| C27 | O4 | C26 | H10 | 52.9° | 60.0° |
| O4 | C27 | C32 | H24 | 0.3° | 0.0° |
| C34 | C33 | C28 | H25 | 180.0° | 180.0° |
| C33 | C34 | C35 | H26 | 180.0° | 180.0° |
| C34 | C33 | C28 | C27 | 179.4° | 179.7° |
| C34 | C33 | C28 | C29 | 0.3° | 0.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.3° |
| C33 | C34 | C35 | H27 | 179.7° | 180.0° |
| C28 | C33 | C34 | C35 | 0.4° | 0.0° |
| C33 | C28 | C27 | C29 | 179.8° | 179.7° |
| C33 | C28 | C27 | C32 | 179.3° | 179.7° |
| C33 | C28 | C29 | C36 | 0.2° | 0.3° |
| C33 | C28 | C29 | C30 | 179.9° | 179.7° |
| C28 | C33 | C34 | H26 | 179.6° | 179.9° |
| C18 | C19 | C20 | C15 | 1.2° | 0.1° |
| C18 | C19 | C20 | H18 | 180.0° | 179.7° |
| C18 | C19 | C20 | H6 | 178.8° | 180.0° |
| C15 | C13 | C11 | N2 | 179.5° | 180.0° |
| C13 | C15 | C20 | C19 | 179.7° | 180.0° |
| C15 | C13 | C11 | C10 | 1.5° | 0.0° |
| C13 | C15 | C20 | H6 | 0.4° | 0.0° |
| C20 | C15 | C13 | C11 | 63.7° | 90.0° |
| C15 | C20 | C19 | H6 | 180.0° | 180.0° |
| C15 | C20 | C19 | H18 | 178.8° | 179.7° |
| C13 | C11 | N2 | C10 | 179.0° | 180.0° |
| C13 | C11 | C10 | O1 | 94.4° | 90.0° |
| C13 | C11 | C10 | H4 | 24.9° | 30.0° |
| C13 | C11 | C10 | H5 | 146.3° | 150.0° |
| C34 | C35 | C36 | H27 | 180.0° | 179.7° |
| C34 | C35 | C36 | C29 | 0.2° | 0.6° |
| C35 | C34 | C33 | H25 | 179.6° | 180.0° |
| C34 | C35 | C36 | H29 | 179.8° | 180.0° |
| N2 | C11 | C10 | O1 | 84.3° | 90.0° |
| N2 | C11 | C10 | H4 | 156.3° | 150.0° |
| N2 | C11 | C10 | H5 | 34.9° | 29.9° |
| C28 | C27 | C32 | C31 | 1.2° | 0.0° |
| C27 | C28 | C29 | C36 | 179.6° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C32 | H24 | 178.8° | 180.0° |
| C27 | C28 | C33 | H25 | 0.6° | 0.3° |
| C32 | C27 | C28 | C29 | 1.0° | 0.0° |
| C27 | C32 | C31 | H24 | 180.0° | 180.0° |
| C27 | C32 | C31 | C30 | 0.5° | 0.1° |
| C27 | C32 | C31 | H23 | 179.5° | 180.0° |
| C20 | C19 | C18 | H17 | 179.3° | 180.0° |
| C28 | C29 | C36 | C35 | 0.1° | 0.6° |
| C28 | C29 | C36 | C30 | 179.7° | 179.9° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H22 | 179.5° | 180.0° |
| C29 | C28 | C33 | H25 | 179.7° | 180.0° |
| C28 | C29 | C36 | H29 | 179.9° | 180.0° |
| C11 | C10 | O1 | H4 | 119.3° | 120.1° |
| C11 | C10 | O1 | H5 | 119.3° | 119.9° |
| C11 | C10 | O1 | C8 | 166.7° | 179.9° |
| C11 | C10 | H4 | H5 | 122.0° | 120.0° |
| C35 | C36 | C29 | H29 | 180.0° | 179.4° |
| C35 | C36 | C29 | C30 | 179.8° | 179.4° |
| C36 | C35 | C34 | H26 | 179.7° | 179.6° |
| C32 | C31 | C30 | C29 | 0.3° | 0.0° |
| C32 | C31 | C30 | H23 | 180.0° | 179.9° |
| C32 | C31 | C30 | H22 | 179.7° | 180.0° |
| C10 | O1 | C8 | C7 | 163.2° | 0.1° |
| C10 | O1 | C8 | C9 | 17.3° | 179.9° |
| O1 | C10 | H4 | H5 | 122.1° | 120.0° |
| O1 | C8 | C7 | C9 | 179.5° | 179.8° |
| O1 | C8 | C7 | C6 | 179.7° | 180.0° |
| O1 | C8 | C9 | C4 | 179.8° | 179.9° |
| O1 | C8 | C7 | H3 | 0.3° | 0.2° |
| C8 | O1 | C10 | H4 | 47.4° | 60.0° |
| C8 | O1 | C10 | H5 | 74.1° | 60.0° |
| O1 | C8 | C9 | H13 | 0.2° | 0.2° |
| C36 | C29 | C30 | C31 | 179.8° | 180.0° |
| C36 | C29 | C30 | H22 | 0.2° | 0.0° |
| C29 | C36 | C35 | H27 | 179.8° | 179.7° |
| C29 | C30 | C31 | H22 | 180.0° | 180.0° |
| C29 | C30 | C31 | H23 | 179.7° | 179.9° |
| C30 | C29 | C36 | H29 | 0.2° | 0.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.8° |
| C8 | C7 | C6 | C3 | 0.3° | 0.1° |
| C7 | C8 | C9 | C4 | 0.7° | 0.2° |
| C8 | C7 | C6 | H2 | 179.7° | 180.0° |
| C7 | C8 | C9 | H13 | 179.3° | 180.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.2° |
| C7 | C6 | C3 | H2 | 180.0° | 179.9° |
| C7 | C6 | C3 | C4 | 0.4° | 0.1° |
| C7 | C6 | C3 | C2 | 180.0° | 180.0° |
| C8 | C9 | C4 | H13 | 180.0° | 179.8° |
| C8 | C9 | C4 | C3 | 0.1° | 0.2° |
| C8 | C9 | C4 | C5 | 179.6° | 179.9° |
| C9 | C8 | C7 | H3 | 179.2° | 180.0° |
| C30 | C31 | C32 | H24 | 179.4° | 180.0° |
| C6 | C3 | C4 | C9 | 0.5° | 0.1° |
| C6 | C3 | C4 | C2 | 179.6° | 179.9° |
| C6 | C3 | C4 | C5 | 179.9° | 180.0° |
| C6 | C3 | C2 | C1 | 179.7° | 179.9° |
| C3 | C6 | C7 | H3 | 179.8° | 179.9° |
| C6 | C3 | C2 | H12 | 0.3° | 0.1° |
| C9 | C4 | C3 | C5 | 179.7° | 179.9° |
| C9 | C4 | C3 | C2 | 179.9° | 180.0° |
| C9 | C4 | C5 | N1 | 179.7° | 180.0° |
| C9 | C4 | C5 | H1 | 0.3° | 0.1° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | N1 | 0.0° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C4 | C3 | C6 | H2 | 179.6° | 180.0° |
| C4 | C3 | C2 | H12 | 179.8° | 180.0° |
| C3 | C4 | C9 | H13 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 0.2° | 0.0° |
| C2 | C3 | C6 | H2 | 0.1° | 0.1° |
| C3 | C2 | C1 | H11 | 179.8° | 179.9° |
| C4 | C5 | N1 | H1 | 180.0° | 179.9° |
| C4 | C5 | N1 | C1 | 0.4° | 0.0° |
| C5 | C4 | C9 | H13 | 0.4° | 0.1° |
| C2 | C1 | N1 | C5 | 0.5° | 0.0° |
| C2 | C1 | N1 | H11 | 180.0° | 179.9° |
| C5 | N1 | C1 | H11 | 179.5° | 179.9° |
| C1 | N1 | C5 | H1 | 179.6° | 180.0° |
| N1 | C1 | C2 | H12 | 179.8° | 180.0° |
| H2 | C6 | C7 | H3 | 0.3° | 0.1° |
| H6 | C20 | C19 | H18 | 1.2° | 0.3° |
| H7 | C24 | C25 | H20 | 72.1° | 180.0° |
| H7 | C24 | C25 | H21 | 47.4° | 60.0° |
| H8 | C24 | C25 | H20 | 169.2° | 59.9° |
| H8 | C24 | C25 | H21 | 71.4° | 180.0° |
| H9 | C26 | C25 | H20 | 57.6° | 180.0° |
| H9 | C26 | C25 | H21 | 177.1° | 60.0° |
| H10 | C26 | C25 | H20 | 63.7° | 60.0° |
| H10 | C26 | C25 | H21 | 55.7° | 180.0° |
| H11 | C1 | C2 | H12 | 0.2° | 0.0° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C18 | C19 | H18 | 0.7° | 0.4° |
| H22 | C30 | C31 | H23 | 0.3° | 0.1° |
| H23 | C31 | C32 | H24 | 0.6° | 0.1° |
| H25 | C33 | C34 | H26 | 0.4° | 0.0° |
| H26 | C34 | C35 | H27 | 0.3° | 0.1° |
| H27 | C35 | C36 | H29 | 0.2° | 0.3° |
| H30 | C37 | H31 | H32 | 120.0° | 120.0° |
