H4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C18 | sing | 1.43Å | 1.42Å | |
| N16 | C17 | doub | 1.30Å | 1.35Å | Aromatic |
| N16 | C15 | sing | 1.34Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.51Å | 1.44Å | |
| C17 | N13 | sing | 1.35Å | 1.31Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.36Å | Aromatic |
| N13 | C14 | sing | 1.37Å | 1.35Å | Aromatic |
| N13 | C12 | sing | 1.46Å | 1.48Å | |
| C12 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | N10 | doub | 1.30Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.37Å | Aromatic |
| N10 | O11 | sing | 1.21Å | 1.33Å | Aromatic |
| C8 | C7 | doub | 1.37Å | 1.39Å | Aromatic |
| O11 | C7 | sing | 1.34Å | 1.32Å | Aromatic |
| C7 | C5 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C21 | sing | 1.43Å | 1.31Å | |
| C21 | C22 | trip | 1.17Å | 1.16Å | |
| C22 | C23 | sing | 1.47Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.54Å | 1.50Å | |
| C24 | C26 | sing | 1.54Å | 1.52Å | |
| C25 | C28 | sing | 1.54Å | 1.52Å | |
| C26 | N27 | sing | 1.49Å | 1.49Å | |
| N27 | C28 | sing | 1.49Å | 1.48Å | |
| N27 | C31 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| O36 | C34 | doub | 1.21Å | 1.25Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C34 | O35 | sing | 1.34Å | 1.25Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| O35 | H10 | sing | 0.97Å | 0.95Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| O20 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C18 | C19 | 108.9° | 109.5° |
| O20 | C18 | C17 | 107.7° | 109.5° |
| O20 | C18 | H6 | 110.1° | 109.5° |
| C18 | O20 | H29 | 109.5° | 114.0° |
| C17 | N16 | C15 | 107.8° | 109.3° |
| N16 | C17 | C18 | 124.4° | 125.7° |
| N16 | C17 | N13 | 109.2° | 108.7° |
| N16 | C15 | C14 | 107.8° | 108.0° |
| N16 | C15 | H5 | 126.1° | 126.0° |
| C19 | C18 | C17 | 111.4° | 109.5° |
| C19 | C18 | H6 | 108.8° | 109.5° |
| C18 | C19 | H7 | 109.5° | 109.5° |
| C18 | C19 | H8 | 109.4° | 109.5° |
| C18 | C19 | H9 | 109.4° | 109.5° |
| C18 | C17 | N13 | 126.4° | 125.6° |
| C17 | C18 | H6 | 109.9° | 109.5° |
| C17 | N13 | C14 | 108.0° | 107.2° |
| C17 | N13 | C12 | 128.5° | 126.4° |
| C15 | C14 | N13 | 107.3° | 106.8° |
| C15 | C14 | H4 | 126.3° | 126.5° |
| C14 | C15 | H5 | 126.1° | 126.0° |
| C14 | N13 | C12 | 123.5° | 126.4° |
| N13 | C14 | H4 | 126.3° | 126.6° |
| N13 | C12 | C9 | 114.6° | 109.5° |
| N13 | C12 | H27 | 108.1° | 109.5° |
| N13 | C12 | H28 | 108.2° | 109.5° |
| C12 | C9 | N10 | 123.4° | 126.7° |
| C12 | C9 | C8 | 129.2° | 126.7° |
| C9 | C12 | H27 | 108.2° | 109.5° |
| C9 | C12 | H28 | 108.1° | 109.5° |
| N10 | C9 | C8 | 107.4° | 106.6° |
| C9 | N10 | O11 | 108.5° | 111.9° |
| C9 | C8 | C7 | 106.8° | 103.9° |
| C9 | C8 | H26 | 126.6° | 128.0° |
| N10 | O11 | C7 | 110.6° | 111.5° |
| C8 | C7 | O11 | 106.6° | 106.1° |
| C8 | C7 | C5 | 130.9° | 126.9° |
| C7 | C8 | H26 | 126.6° | 128.1° |
| O11 | C7 | C5 | 122.5° | 126.9° |
| C7 | C5 | C6 | 120.9° | 120.0° |
| C7 | C5 | C4 | 118.4° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C5 | C6 | C1 | 120.3° | 120.0° |
| C5 | C6 | H25 | 119.8° | 120.0° |
| C5 | C4 | C3 | 118.5° | 120.0° |
| C5 | C4 | H3 | 120.8° | 120.0° |
| C6 | C1 | C2 | 120.8° | 120.0° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | H25 | 119.9° | 120.0° |
| C4 | C3 | C2 | 120.6° | 120.0° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | H3 | 120.7° | 120.0° |
| C1 | C2 | C3 | 119.1° | 120.0° |
| C1 | C2 | C21 | 120.1° | 120.0° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C3 | C2 | C21 | 120.8° | 120.0° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| C2 | C21 | C22 | 177.0° | 180.0° |
| C21 | C22 | C23 | 179.5° | 180.0° |
| C22 | C23 | C24 | 114.9° | 117.5° |
| C22 | C23 | C25 | 113.5° | 117.5° |
| C22 | C23 | H24 | 119.3° | 115.5° |
| C24 | C23 | C25 | 59.5° | 60.6° |
| C23 | C24 | C25 | 60.3° | 59.7° |
| C23 | C24 | C26 | 117.4° | 118.1° |
| C23 | C24 | H20 | 119.3° | 120.2° |
| C24 | C23 | H24 | 117.8° | 117.4° |
| C23 | C25 | C24 | 60.2° | 59.7° |
| C23 | C25 | C28 | 117.0° | 118.2° |
| C23 | C25 | H23 | 118.8° | 120.3° |
| C25 | C23 | H24 | 117.8° | 117.4° |
| C25 | C24 | C26 | 106.2° | 105.1° |
| C24 | C25 | C28 | 108.8° | 105.0° |
| C25 | C24 | H20 | 119.5° | 121.8° |
| C24 | C25 | H23 | 119.1° | 121.8° |
| C24 | C26 | N27 | 106.2° | 104.6° |
| C24 | C26 | H18 | 110.3° | 110.5° |
| C24 | C26 | H19 | 110.3° | 110.5° |
| C26 | C24 | H20 | 119.2° | 117.6° |
| C25 | C28 | N27 | 105.1° | 104.6° |
| C25 | C28 | H21 | 110.5° | 110.4° |
| C25 | C28 | H22 | 110.6° | 110.5° |
| C28 | C25 | H23 | 118.8° | 117.6° |
| C26 | N27 | C28 | 109.2° | 104.2° |
| C26 | N27 | C31 | 110.9° | 111.0° |
| N27 | C26 | H18 | 110.3° | 110.4° |
| N27 | C26 | H19 | 110.3° | 110.4° |
| C28 | N27 | C31 | 111.1° | 111.0° |
| N27 | C28 | H21 | 110.6° | 110.4° |
| N27 | C28 | H22 | 110.5° | 110.4° |
| N27 | C31 | C32 | 106.4° | 109.4° |
| N27 | C31 | H15 | 110.2° | 109.5° |
| N27 | C31 | H16 | 110.2° | 109.5° |
| C31 | C32 | C33 | 113.1° | 109.4° |
| C31 | C32 | H13 | 108.5° | 109.5° |
| C31 | C32 | H14 | 108.5° | 109.5° |
| C32 | C31 | H15 | 110.2° | 109.5° |
| C32 | C31 | H16 | 110.2° | 109.5° |
| C32 | C33 | C34 | 110.6° | 109.5° |
| C32 | C33 | H11 | 109.2° | 109.5° |
| C32 | C33 | H12 | 109.2° | 109.5° |
| C33 | C32 | H13 | 108.6° | 109.5° |
| C33 | C32 | H14 | 108.6° | 109.5° |
| O36 | C34 | C33 | 118.7° | 120.0° |
| O36 | C34 | O35 | 121.9° | 120.0° |
| C33 | C34 | O35 | 119.4° | 120.0° |
| C34 | C33 | H11 | 109.2° | 109.5° |
| C34 | C33 | H12 | 109.2° | 109.5° |
| C34 | O35 | H10 | 109.5° | 117.0° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H7 | C19 | H9 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H11 | C33 | H12 | 109.5° | 109.5° |
| H13 | C32 | H14 | 109.5° | 109.4° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 110.3° |
| H21 | C28 | H22 | 109.5° | 110.3° |
| H27 | C12 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C18 | C17 | N16 | 21.8° | 45.2° |
| O20 | C18 | C19 | C17 | 118.7° | 120.0° |
| O20 | C18 | C19 | H6 | 120.0° | 120.0° |
| O20 | C18 | C17 | H6 | 120.0° | 120.0° |
| O20 | C18 | C17 | N13 | 158.7° | 135.0° |
| O20 | C18 | C19 | H7 | 180.0° | 180.0° |
| O20 | C18 | C19 | H8 | 60.0° | 60.0° |
| O20 | C18 | C19 | H9 | 60.0° | 60.0° |
| N16 | C17 | C18 | C19 | 97.6° | 74.8° |
| N16 | C17 | C18 | N13 | 179.5° | 179.8° |
| C17 | N16 | C15 | C14 | 0.2° | 0.2° |
| N16 | C17 | N13 | C14 | 0.5° | 0.2° |
| N16 | C17 | N13 | C12 | 179.6° | 180.0° |
| C17 | N16 | C15 | H5 | 179.8° | 179.8° |
| N16 | C17 | C18 | H6 | 141.8° | 165.2° |
| C15 | N16 | C17 | C18 | 179.9° | 179.8° |
| C15 | N16 | C17 | N13 | 0.5° | 0.0° |
| N16 | C15 | C14 | H5 | 180.0° | 180.0° |
| N16 | C15 | C14 | N13 | 0.1° | 0.3° |
| N16 | C15 | C14 | H4 | 179.9° | 180.0° |
| C19 | C18 | C17 | H6 | 120.7° | 120.0° |
| C19 | C18 | C17 | N13 | 81.9° | 105.0° |
| C18 | C19 | H7 | H8 | 120.0° | 120.0° |
| C18 | C19 | H7 | H9 | 120.0° | 120.0° |
| C18 | C19 | H8 | H9 | 120.0° | 120.0° |
| C19 | C18 | O20 | H29 | 180.0° | 60.0° |
| C18 | C17 | N13 | C14 | 179.9° | 180.0° |
| C18 | C17 | N13 | C12 | 0.9° | 0.2° |
| C17 | C18 | C19 | H7 | 61.3° | 60.0° |
| C17 | C18 | C19 | H8 | 178.7° | 180.0° |
| C17 | C18 | C19 | H9 | 58.7° | 60.0° |
| C17 | C18 | O20 | H29 | 59.1° | 60.0° |
| C17 | N13 | C14 | C15 | 0.4° | 0.3° |
| C17 | N13 | C14 | C12 | 179.1° | 179.8° |
| C17 | N13 | C12 | C9 | 102.1° | 85.0° |
| C17 | N13 | C14 | H4 | 179.7° | 180.0° |
| N13 | C17 | C18 | H6 | 38.7° | 15.0° |
| C17 | N13 | C12 | H27 | 137.1° | 35.0° |
| C17 | N13 | C12 | H28 | 18.6° | 155.0° |
| C15 | C14 | N13 | H4 | 180.0° | 179.7° |
| C15 | C14 | N13 | C12 | 179.5° | 179.9° |
| C14 | N13 | C12 | C9 | 79.0° | 95.2° |
| N13 | C14 | C15 | H5 | 179.9° | 179.7° |
| C14 | N13 | C12 | H27 | 41.8° | 144.8° |
| C14 | N13 | C12 | H28 | 160.3° | 24.8° |
| N13 | C12 | C9 | H27 | 120.7° | 120.0° |
| N13 | C12 | C9 | H28 | 120.8° | 120.0° |
| N13 | C12 | C9 | N10 | 134.7° | 55.0° |
| N13 | C12 | C9 | C8 | 47.0° | 125.3° |
| C12 | N13 | C14 | H4 | 0.6° | 0.2° |
| N13 | C12 | H27 | H28 | 117.6° | 120.0° |
| C12 | C9 | N10 | C8 | 178.6° | 179.7° |
| C12 | C9 | N10 | O11 | 179.3° | 180.0° |
| C12 | C9 | C8 | C7 | 179.8° | 179.9° |
| C12 | C9 | C8 | H26 | 0.2° | 0.2° |
| C9 | C12 | H27 | H28 | 117.7° | 120.0° |
| N10 | C9 | C8 | C7 | 1.3° | 0.4° |
| C9 | N10 | O11 | C7 | 2.2° | 0.0° |
| N10 | C9 | C8 | H26 | 178.7° | 180.0° |
| N10 | C9 | C12 | H27 | 104.5° | 65.0° |
| N10 | C9 | C12 | H28 | 14.0° | 175.0° |
| C8 | C9 | N10 | O11 | 2.1° | 0.2° |
| C9 | C8 | C7 | H26 | 180.0° | 179.6° |
| C9 | C8 | C7 | O11 | 0.0° | 0.4° |
| C9 | C8 | C7 | C5 | 178.7° | 179.9° |
| C8 | C9 | C12 | H27 | 73.8° | 114.7° |
| C8 | C9 | C12 | H28 | 167.7° | 5.3° |
| N10 | O11 | C7 | C8 | 1.4° | 0.3° |
| N10 | O11 | C7 | C5 | 177.5° | 180.0° |
| C8 | C7 | O11 | C5 | 178.9° | 179.7° |
| C8 | C7 | C5 | C6 | 2.2° | 179.7° |
| C8 | C7 | C5 | C4 | 177.4° | 0.9° |
| O11 | C7 | C5 | C6 | 179.2° | 0.0° |
| O11 | C7 | C5 | C4 | 1.2° | 179.5° |
| O11 | C7 | C8 | H26 | 180.0° | 180.0° |
| C7 | C5 | C6 | C4 | 179.6° | 179.5° |
| C7 | C5 | C6 | C1 | 180.0° | 180.0° |
| C7 | C5 | C4 | C3 | 179.0° | 179.8° |
| C7 | C5 | C4 | H3 | 1.1° | 0.4° |
| C7 | C5 | C6 | H25 | 0.0° | 0.5° |
| C5 | C7 | C8 | H26 | 1.2° | 0.2° |
| C5 | C6 | C1 | H25 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.7° | 0.3° |
| C5 | C6 | C1 | C2 | 0.7° | 0.5° |
| C5 | C6 | C1 | H1 | 179.3° | 179.8° |
| C6 | C5 | C4 | H3 | 179.3° | 179.8° |
| C4 | C5 | C6 | C1 | 0.4° | 0.5° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.4° | 0.1° |
| C5 | C4 | C3 | H2 | 178.6° | 180.0° |
| C4 | C5 | C6 | H25 | 179.6° | 179.9° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.0° | 0.2° |
| C6 | C1 | C2 | C21 | 178.7° | 179.8° |
| C4 | C3 | C2 | C1 | 1.1° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C21 | 179.7° | 180.0° |
| C1 | C2 | C3 | C21 | 178.7° | 180.0° |
| C1 | C2 | C21 | C22 | 154.9° | 108.3° |
| C1 | C2 | C3 | H2 | 178.9° | 180.0° |
| C2 | C1 | C6 | H25 | 179.3° | 180.0° |
| C3 | C2 | C21 | C22 | 23.8° | 71.7° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 178.6° | 179.9° |
| C2 | C21 | C22 | C23 | 155.3° | 127.4° |
| C21 | C2 | C1 | H1 | 1.3° | 0.1° |
| C21 | C2 | C3 | H2 | 0.3° | 0.1° |
| C21 | C22 | C23 | C24 | 144.1° | 161.0° |
| C21 | C22 | C23 | C25 | 150.0° | 129.8° |
| C21 | C22 | C23 | H24 | 4.2° | 15.6° |
| C22 | C23 | C24 | C25 | 103.7° | 107.7° |
| C22 | C23 | C24 | H24 | 148.8° | 144.8° |
| C22 | C23 | C25 | H24 | 146.3° | 144.7° |
| C22 | C23 | C24 | C26 | 162.6° | 160.7° |
| C22 | C23 | C25 | C28 | 156.7° | 160.7° |
| C22 | C23 | C24 | H20 | 5.6° | 3.8° |
| C22 | C23 | C25 | H23 | 2.8° | 3.7° |
| C24 | C23 | C25 | H24 | 107.6° | 107.7° |
| C23 | C24 | C25 | C26 | 112.7° | 114.1° |
| C23 | C24 | C25 | H20 | 108.9° | 108.9° |
| C23 | C24 | C26 | H20 | 157.1° | 157.4° |
| C24 | C23 | C25 | C28 | 97.2° | 91.6° |
| C23 | C24 | C26 | N27 | 50.5° | 39.6° |
| C23 | C24 | C26 | H18 | 169.9° | 79.3° |
| C23 | C24 | C26 | H19 | 69.0° | 158.4° |
| C24 | C23 | C25 | H23 | 108.9° | 111.4° |
| C23 | C25 | C28 | H23 | 153.9° | 157.6° |
| C23 | C25 | C28 | N27 | 54.3° | 39.4° |
| C23 | C25 | C28 | H21 | 65.0° | 158.3° |
| C23 | C25 | C28 | H22 | 173.6° | 79.3° |
| C25 | C24 | C26 | H20 | 138.5° | 139.2° |
| C24 | C25 | C28 | H23 | 140.6° | 139.0° |
| C25 | C24 | C26 | N27 | 14.0° | 23.8° |
| C24 | C25 | C28 | N27 | 11.1° | 23.9° |
| C25 | C24 | C26 | H18 | 105.5° | 142.7° |
| C25 | C24 | C26 | H19 | 133.4° | 95.0° |
| C24 | C25 | C28 | H21 | 130.4° | 94.9° |
| C24 | C25 | C28 | H22 | 108.2° | 142.7° |
| C26 | C24 | C25 | C28 | 1.8° | 0.1° |
| C24 | C26 | N27 | H18 | 119.5° | 118.9° |
| C24 | C26 | N27 | H19 | 119.5° | 118.9° |
| C24 | C26 | N27 | C28 | 21.7° | 39.5° |
| C24 | C26 | N27 | C31 | 144.4° | 159.0° |
| C24 | C26 | H18 | H19 | 121.5° | 122.4° |
| C26 | C24 | C25 | H23 | 138.7° | 137.0° |
| C26 | C24 | C23 | H24 | 13.8° | 15.9° |
| C25 | C28 | N27 | C26 | 20.3° | 39.5° |
| C25 | C28 | N27 | H21 | 119.3° | 118.9° |
| C25 | C28 | N27 | H22 | 119.3° | 118.9° |
| C25 | C28 | N27 | C31 | 142.9° | 159.0° |
| C28 | C25 | C24 | H20 | 140.1° | 137.0° |
| C25 | C28 | H21 | H22 | 122.0° | 122.5° |
| C28 | C25 | C23 | H24 | 10.4° | 16.1° |
| C26 | N27 | C28 | C31 | 122.6° | 119.5° |
| C26 | N27 | C31 | C32 | 153.9° | 74.6° |
| C26 | N27 | C31 | H15 | 86.6° | 45.4° |
| C26 | N27 | C31 | H16 | 34.4° | 165.4° |
| N27 | C26 | H18 | H19 | 121.5° | 122.3° |
| N27 | C26 | C24 | H20 | 152.4° | 163.0° |
| C26 | N27 | C28 | H21 | 139.6° | 79.3° |
| C26 | N27 | C28 | H22 | 99.0° | 158.4° |
| C28 | N27 | C31 | C32 | 84.4° | 170.1° |
| C28 | N27 | C31 | H15 | 35.1° | 70.0° |
| C28 | N27 | C31 | H16 | 156.0° | 50.1° |
| C28 | N27 | C26 | H18 | 97.8° | 158.3° |
| C28 | N27 | C26 | H19 | 141.1° | 79.4° |
| N27 | C28 | H21 | H22 | 122.0° | 122.3° |
| N27 | C28 | C25 | H23 | 151.8° | 163.0° |
| N27 | C31 | C32 | H15 | 119.5° | 120.0° |
| N27 | C31 | C32 | H16 | 119.5° | 120.0° |
| N27 | C31 | C32 | C33 | 163.2° | 180.0° |
| N27 | C31 | C32 | H13 | 76.3° | 60.0° |
| N27 | C31 | C32 | H14 | 42.6° | 60.0° |
| N27 | C31 | H15 | H16 | 121.4° | 120.0° |
| C31 | N27 | C26 | H18 | 24.9° | 82.2° |
| C31 | N27 | C26 | H19 | 96.1° | 40.1° |
| C31 | N27 | C28 | H21 | 97.8° | 40.2° |
| C31 | N27 | C28 | H22 | 23.6° | 82.1° |
| C31 | C32 | C33 | H13 | 120.5° | 120.0° |
| C31 | C32 | C33 | H14 | 120.5° | 120.1° |
| C31 | C32 | C33 | C34 | 89.0° | 180.0° |
| C31 | C32 | C33 | H11 | 150.8° | 60.0° |
| C31 | C32 | C33 | H12 | 31.1° | 60.0° |
| C31 | C32 | H13 | H14 | 118.3° | 120.1° |
| C32 | C31 | H15 | H16 | 121.4° | 120.0° |
| C32 | C33 | C34 | O36 | 60.0° | 0.0° |
| C32 | C33 | C34 | H11 | 120.2° | 120.0° |
| C32 | C33 | C34 | H12 | 120.1° | 120.0° |
| C32 | C33 | C34 | O35 | 119.7° | 180.0° |
| C32 | C33 | H11 | H12 | 119.5° | 120.0° |
| C33 | C32 | H13 | H14 | 118.4° | 120.0° |
| C33 | C32 | C31 | H15 | 43.7° | 60.0° |
| C33 | C32 | C31 | H16 | 77.3° | 60.0° |
| O36 | C34 | C33 | O35 | 179.7° | 180.0° |
| O36 | C34 | O35 | H10 | 0.0° | 0.0° |
| O36 | C34 | C33 | H11 | 60.2° | 120.0° |
| O36 | C34 | C33 | H12 | 179.9° | 120.0° |
| C33 | C34 | O35 | H10 | 179.7° | 180.0° |
| C34 | C33 | H11 | H12 | 119.5° | 120.0° |
| C34 | C33 | C32 | H13 | 31.5° | 60.0° |
| C34 | C33 | C32 | H14 | 150.4° | 60.0° |
| O35 | C34 | C33 | H11 | 120.1° | 60.0° |
| O35 | C34 | C33 | H12 | 0.5° | 60.0° |
| H1 | C1 | C6 | H25 | 0.8° | 0.2° |
| H2 | C3 | C4 | H3 | 1.4° | 0.1° |
| H4 | C14 | C15 | H5 | 0.0° | 0.0° |
| H6 | C18 | C19 | H7 | 60.0° | 60.0° |
| H6 | C18 | C19 | H8 | 60.0° | 60.0° |
| H6 | C18 | C19 | H9 | 180.0° | 180.0° |
| H6 | C18 | O20 | H29 | 60.8° | 180.0° |
| H7 | C19 | H8 | H9 | 120.0° | 120.0° |
| H11 | C33 | C32 | H13 | 88.7° | 180.0° |
| H11 | C33 | C32 | H14 | 30.2° | 60.0° |
| H12 | C33 | C32 | H13 | 151.6° | 60.0° |
| H12 | C33 | C32 | H14 | 89.4° | 179.9° |
| H13 | C32 | C31 | H15 | 164.2° | 180.0° |
| H13 | C32 | C31 | H16 | 43.2° | 60.0° |
| H14 | C32 | C31 | H15 | 76.9° | 60.0° |
| H14 | C32 | C31 | H16 | 162.1° | 180.0° |
| H18 | C26 | C24 | H20 | 33.0° | 78.1° |
| H19 | C26 | C24 | H20 | 88.1° | 44.2° |
| H20 | C24 | C25 | H23 | 0.4° | 0.1° |
| H20 | C24 | C23 | H24 | 143.2° | 140.9° |
| H21 | C28 | C25 | H23 | 88.9° | 44.1° |
| H22 | C28 | C25 | H23 | 32.5° | 78.3° |
| H23 | C25 | C23 | H24 | 143.5° | 140.9° |
