E3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.44Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.38Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | C29 | sing | 1.51Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | N25 | sing | 1.40Å | 1.40Å | |
| C26 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| N25 | C23 | sing | 1.35Å | 1.36Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | F31 | sing | 1.35Å | 1.35Å | |
| C7 | C23 | sing | 1.51Å | 1.51Å | |
| C7 | N9 | sing | 1.47Å | 1.49Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C23 | O24 | doub | 1.21Å | 1.21Å | |
| N9 | C10 | sing | 1.47Å | 1.49Å | |
| N9 | C14 | sing | 1.35Å | 1.37Å | |
| O15 | C14 | doub | 1.21Å | 1.21Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.51Å | 1.51Å | |
| N21 | O22 | sing | 1.21Å | 1.21Å | |
| N21 | C19 | sing | 1.35Å | 1.31Å | |
| O20 | C19 | doub | 1.22Å | 1.36Å | |
| O22 | C17 | sing | 1.34Å | 1.34Å | |
| C19 | C18 | sing | 1.42Å | 1.42Å | |
| C17 | C18 | doub | 1.36Å | 1.35Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| N21 | H16 | sing | 0.97Å | 1.00Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 120.8° | 117.0° |
| O2 | C1 | H8 | 109.5° | 109.4° |
| O2 | C1 | H9 | 109.5° | 109.5° |
| O2 | C1 | H10 | 109.5° | 109.4° |
| C34 | C33 | C36 | 105.4° | 109.4° |
| C34 | C33 | C29 | 113.2° | 109.5° |
| C34 | C33 | C35 | 107.2° | 109.5° |
| C33 | C34 | H20 | 109.5° | 109.4° |
| C33 | C34 | H21 | 109.5° | 109.4° |
| C33 | C34 | H22 | 109.5° | 109.5° |
| C5 | C4 | C3 | 120.5° | 119.6° |
| C4 | C5 | C6 | 120.7° | 120.6° |
| C5 | C4 | H1 | 119.7° | 120.2° |
| C4 | C5 | H2 | 119.7° | 119.7° |
| C4 | C3 | O2 | 121.3° | 120.1° |
| C4 | C3 | C13 | 118.5° | 119.7° |
| C3 | C4 | H1 | 119.7° | 120.2° |
| O2 | C3 | C13 | 120.3° | 120.2° |
| C27 | C28 | C29 | 121.3° | 120.1° |
| C28 | C27 | C26 | 121.0° | 120.0° |
| C27 | C28 | H7 | 119.4° | 120.0° |
| C28 | C27 | H18 | 119.5° | 120.0° |
| C28 | C29 | C33 | 119.9° | 119.9° |
| C28 | C29 | C30 | 117.5° | 120.1° |
| C29 | C28 | H7 | 119.3° | 120.0° |
| C27 | C26 | N25 | 118.1° | 120.1° |
| C27 | C26 | C32 | 118.1° | 119.8° |
| C26 | C27 | H18 | 119.5° | 120.0° |
| C5 | C6 | C7 | 119.7° | 117.7° |
| C5 | C6 | C12 | 119.0° | 119.9° |
| C6 | C5 | H2 | 119.6° | 119.7° |
| C3 | C13 | C12 | 120.8° | 120.5° |
| C3 | C13 | H6 | 119.6° | 119.7° |
| C36 | C33 | C29 | 109.0° | 109.5° |
| C36 | C33 | C35 | 107.6° | 109.4° |
| C33 | C36 | H26 | 109.5° | 109.5° |
| C33 | C36 | H27 | 109.5° | 109.4° |
| C33 | C36 | H28 | 109.5° | 109.4° |
| C29 | C33 | C35 | 113.9° | 109.5° |
| C33 | C29 | C30 | 122.5° | 119.9° |
| C33 | C35 | H23 | 109.5° | 109.5° |
| C33 | C35 | H24 | 109.5° | 109.4° |
| C33 | C35 | H25 | 109.5° | 109.5° |
| C29 | C30 | C32 | 121.1° | 120.0° |
| C29 | C30 | F31 | 122.1° | 120.0° |
| N25 | C26 | C32 | 123.3° | 120.1° |
| C26 | N25 | C23 | 127.8° | 120.0° |
| C26 | N25 | H17 | 116.1° | 120.0° |
| C26 | C32 | C30 | 120.9° | 119.9° |
| C26 | C32 | H19 | 119.6° | 120.1° |
| N25 | C23 | C7 | 118.2° | 120.0° |
| N25 | C23 | O24 | 123.2° | 120.0° |
| C23 | N25 | H17 | 116.1° | 120.0° |
| C7 | C6 | C12 | 121.3° | 122.3° |
| C6 | C7 | C23 | 101.1° | 109.4° |
| C6 | C7 | N9 | 112.1° | 109.6° |
| C6 | C7 | H3 | 109.7° | 109.4° |
| C6 | C12 | C13 | 120.5° | 119.6° |
| C6 | C12 | C11 | 121.4° | 122.8° |
| C13 | C12 | C11 | 118.1° | 117.6° |
| C12 | C13 | H6 | 119.6° | 119.7° |
| C32 | C30 | F31 | 116.8° | 120.0° |
| C30 | C32 | H19 | 119.6° | 120.0° |
| C23 | C7 | N9 | 113.4° | 109.5° |
| C7 | C23 | O24 | 118.6° | 120.0° |
| C23 | C7 | H3 | 109.9° | 109.4° |
| C7 | N9 | C10 | 119.8° | 117.4° |
| C7 | N9 | C14 | 119.7° | 121.3° |
| N9 | C7 | H3 | 110.2° | 109.4° |
| C12 | C11 | C10 | 106.7° | 110.9° |
| C12 | C11 | H11 | 110.2° | 109.2° |
| C12 | C11 | H12 | 110.2° | 109.2° |
| C10 | N9 | C14 | 120.5° | 121.3° |
| N9 | C10 | C11 | 113.2° | 107.8° |
| N9 | C10 | H4 | 108.5° | 109.8° |
| N9 | C10 | H5 | 108.5° | 109.8° |
| N9 | C14 | O15 | 120.0° | 120.0° |
| N9 | C14 | C16 | 123.2° | 120.0° |
| O15 | C14 | C16 | 116.8° | 120.0° |
| C11 | C10 | H4 | 108.6° | 109.8° |
| C11 | C10 | H5 | 108.6° | 109.8° |
| C10 | C11 | H11 | 110.1° | 109.2° |
| C10 | C11 | H12 | 110.2° | 109.2° |
| C14 | C16 | C17 | 104.8° | 109.4° |
| C14 | C16 | H13 | 110.6° | 109.5° |
| C14 | C16 | H14 | 110.6° | 109.4° |
| O22 | N21 | C19 | 111.7° | 110.6° |
| N21 | O22 | C17 | 111.6° | 112.2° |
| O22 | N21 | H16 | 124.2° | 124.7° |
| N21 | C19 | O20 | 127.1° | 127.2° |
| N21 | C19 | C18 | 106.0° | 105.6° |
| C19 | N21 | H16 | 124.2° | 124.7° |
| O20 | C19 | C18 | 126.9° | 127.2° |
| O22 | C17 | C18 | 106.7° | 107.4° |
| O22 | C17 | C16 | 126.4° | 126.3° |
| C19 | C18 | C17 | 104.1° | 104.2° |
| C19 | C18 | H15 | 128.0° | 127.9° |
| C18 | C17 | C16 | 126.9° | 126.3° |
| C17 | C18 | H15 | 127.9° | 127.9° |
| C17 | C16 | H13 | 110.6° | 109.5° |
| C17 | C16 | H14 | 110.6° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.8° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.2° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H20 | C34 | H21 | 109.5° | 109.4° |
| H20 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H25 | 109.4° | 109.5° |
| H24 | C35 | H25 | 109.4° | 109.5° |
| H26 | C36 | H27 | 109.5° | 109.5° |
| H26 | C36 | H28 | 109.4° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 84.6° | 0.1° |
| C1 | O2 | C3 | C13 | 96.3° | 180.0° |
| O2 | C1 | H8 | H9 | 120.0° | 120.0° |
| O2 | C1 | H8 | H10 | 120.0° | 119.9° |
| O2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C34 | C33 | C29 | C28 | 0.8° | 120.0° |
| C34 | C33 | C36 | C29 | 121.9° | 120.1° |
| C34 | C33 | C36 | C35 | 114.2° | 120.0° |
| C34 | C33 | C29 | C35 | 122.9° | 120.0° |
| C34 | C33 | C29 | C30 | 177.8° | 59.7° |
| C33 | C34 | H20 | H21 | 120.0° | 119.9° |
| C33 | C34 | H20 | H22 | 120.0° | 120.0° |
| C33 | C34 | H21 | H22 | 120.0° | 120.1° |
| C34 | C33 | C35 | H23 | 180.0° | 59.9° |
| C34 | C33 | C35 | H24 | 60.0° | 60.0° |
| C34 | C33 | C35 | H25 | 60.0° | 179.9° |
| C34 | C33 | C36 | H26 | 180.0° | 60.1° |
| C34 | C33 | C36 | H27 | 60.0° | 60.0° |
| C34 | C33 | C36 | H28 | 60.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | O2 | 179.9° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C13 | 0.8° | 0.3° |
| C4 | C5 | C6 | C7 | 178.8° | 179.4° |
| C4 | C5 | C6 | C12 | 0.9° | 0.2° |
| C4 | C3 | O2 | C13 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | C3 | C13 | C12 | 0.5° | 0.1° |
| C3 | C4 | C5 | H2 | 179.9° | 179.8° |
| C4 | C3 | C13 | H6 | 179.5° | 179.9° |
| O2 | C3 | C13 | C12 | 179.5° | 179.9° |
| O2 | C3 | C4 | H1 | 0.1° | 0.5° |
| O2 | C3 | C13 | H6 | 0.5° | 0.1° |
| C3 | O2 | C1 | H8 | 180.0° | 60.0° |
| C3 | O2 | C1 | H9 | 60.0° | 60.0° |
| C3 | O2 | C1 | H10 | 60.0° | 180.0° |
| C27 | C28 | C29 | H7 | 180.0° | 179.9° |
| C28 | C27 | C26 | H18 | 180.0° | 179.9° |
| C27 | C28 | C29 | C33 | 178.9° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.2° |
| C28 | C27 | C26 | N25 | 175.5° | 179.9° |
| C28 | C27 | C26 | C32 | 3.4° | 0.4° |
| C29 | C28 | C27 | C26 | 1.7° | 0.1° |
| C28 | C29 | C33 | C36 | 117.8° | 0.0° |
| C28 | C29 | C33 | C30 | 178.6° | 179.7° |
| C28 | C29 | C33 | C35 | 122.0° | 120.0° |
| C28 | C29 | C30 | C32 | 0.3° | 0.2° |
| C28 | C29 | C30 | F31 | 179.6° | 180.0° |
| C29 | C28 | C27 | H18 | 178.3° | 180.0° |
| C27 | C26 | N25 | C32 | 171.6° | 179.7° |
| C27 | C26 | N25 | C23 | 168.5° | 145.3° |
| C27 | C26 | C32 | C30 | 3.3° | 0.4° |
| C26 | C27 | C28 | H7 | 178.3° | 180.0° |
| C27 | C26 | N25 | H17 | 11.5° | 34.8° |
| C27 | C26 | C32 | H19 | 176.6° | 179.7° |
| C5 | C6 | C7 | C12 | 177.9° | 179.6° |
| C5 | C6 | C12 | C13 | 1.3° | 0.6° |
| C5 | C6 | C7 | C23 | 81.2° | 71.3° |
| C5 | C6 | C7 | N9 | 157.6° | 168.7° |
| C5 | C6 | C12 | C11 | 180.0° | 178.7° |
| C6 | C5 | C4 | H1 | 179.9° | 179.5° |
| C5 | C6 | C7 | H3 | 34.8° | 48.6° |
| C3 | C13 | C12 | C6 | 0.6° | 0.5° |
| C3 | C13 | C12 | H6 | 180.0° | 180.0° |
| C3 | C13 | C12 | C11 | 179.4° | 178.8° |
| C13 | C3 | C4 | H1 | 179.2° | 179.5° |
| C36 | C33 | C29 | C35 | 120.1° | 120.0° |
| C36 | C33 | C29 | C30 | 60.8° | 179.7° |
| C36 | C33 | C34 | H20 | 180.0° | 60.0° |
| C36 | C33 | C34 | H21 | 60.0° | 180.0° |
| C36 | C33 | C34 | H22 | 60.0° | 60.0° |
| C36 | C33 | C35 | H23 | 67.0° | 60.0° |
| C36 | C33 | C35 | H24 | 53.0° | 180.0° |
| C36 | C33 | C35 | H25 | 173.0° | 60.0° |
| C33 | C36 | H26 | H27 | 120.0° | 120.0° |
| C33 | C36 | H26 | H28 | 120.0° | 119.9° |
| C33 | C36 | H27 | H28 | 120.0° | 120.0° |
| C33 | C29 | C30 | C32 | 178.9° | 180.0° |
| C33 | C29 | C30 | F31 | 1.0° | 0.2° |
| C33 | C29 | C28 | H7 | 1.1° | 0.0° |
| C29 | C33 | C34 | H20 | 60.9° | 60.0° |
| C29 | C33 | C34 | H21 | 179.1° | 59.9° |
| C29 | C33 | C34 | H22 | 59.1° | 180.0° |
| C29 | C33 | C35 | H23 | 53.9° | 180.0° |
| C29 | C33 | C35 | H24 | 173.9° | 60.0° |
| C29 | C33 | C35 | H25 | 66.1° | 60.0° |
| C29 | C33 | C36 | H26 | 58.1° | 60.0° |
| C29 | C33 | C36 | H27 | 61.9° | 180.0° |
| C29 | C33 | C36 | H28 | 178.1° | 60.0° |
| C35 | C33 | C29 | C30 | 59.4° | 60.3° |
| C35 | C33 | C34 | H20 | 65.5° | 180.0° |
| C35 | C33 | C34 | H21 | 54.5° | 60.1° |
| C35 | C33 | C34 | H22 | 174.4° | 60.0° |
| C33 | C35 | H23 | H24 | 120.0° | 119.9° |
| C33 | C35 | H23 | H25 | 120.0° | 120.0° |
| C33 | C35 | H24 | H25 | 120.0° | 120.0° |
| C35 | C33 | C36 | H26 | 65.8° | 180.0° |
| C35 | C33 | C36 | H27 | 174.2° | 60.0° |
| C35 | C33 | C36 | H28 | 54.2° | 60.0° |
| C29 | C30 | C32 | C26 | 1.5° | 0.1° |
| C29 | C30 | C32 | F31 | 179.9° | 179.8° |
| C30 | C29 | C28 | H7 | 179.8° | 179.7° |
| C29 | C30 | C32 | H19 | 178.5° | 180.0° |
| C26 | N25 | C23 | H17 | 180.0° | 179.9° |
| N25 | C26 | C32 | C30 | 175.0° | 180.0° |
| C26 | N25 | C23 | C7 | 172.4° | 175.3° |
| C26 | N25 | C23 | O24 | 6.6° | 4.7° |
| N25 | C26 | C27 | H18 | 4.5° | 0.1° |
| N25 | C26 | C32 | H19 | 5.0° | 0.0° |
| C32 | C26 | N25 | C23 | 3.1° | 35.1° |
| C26 | C32 | C30 | H19 | 180.0° | 179.9° |
| C26 | C32 | C30 | F31 | 178.6° | 179.7° |
| C32 | C26 | N25 | H17 | 176.9° | 144.9° |
| C32 | C26 | C27 | H18 | 176.5° | 179.7° |
| N25 | C23 | C7 | C6 | 87.9° | 60.0° |
| N25 | C23 | C7 | O24 | 179.1° | 180.0° |
| N25 | C23 | C7 | N9 | 151.8° | 179.8° |
| N25 | C23 | C7 | H3 | 27.9° | 59.9° |
| C7 | C6 | C12 | C13 | 179.1° | 179.0° |
| C6 | C7 | C23 | N9 | 120.3° | 120.2° |
| C6 | C7 | C23 | H3 | 115.9° | 119.9° |
| C6 | C7 | N9 | H3 | 122.5° | 120.1° |
| C7 | C6 | C12 | C11 | 2.1° | 1.7° |
| C6 | C7 | C23 | O24 | 91.1° | 120.0° |
| C6 | C7 | N9 | C10 | 4.0° | 44.5° |
| C6 | C7 | N9 | C14 | 175.1° | 135.6° |
| C7 | C6 | C5 | H2 | 1.2° | 0.7° |
| C6 | C12 | C13 | C11 | 178.8° | 179.3° |
| C12 | C6 | C7 | C23 | 96.7° | 108.3° |
| C12 | C6 | C7 | N9 | 24.5° | 11.8° |
| C6 | C12 | C11 | C10 | 37.8° | 20.4° |
| C12 | C6 | C5 | H2 | 179.1° | 179.7° |
| C12 | C6 | C7 | H3 | 147.3° | 131.8° |
| C6 | C12 | C13 | H6 | 179.4° | 179.5° |
| C6 | C12 | C11 | H11 | 157.4° | 140.7° |
| C6 | C12 | C11 | H12 | 81.7° | 100.0° |
| C13 | C12 | C11 | C10 | 141.0° | 160.3° |
| C13 | C12 | C11 | H11 | 21.4° | 40.0° |
| C13 | C12 | C11 | H12 | 99.5° | 79.3° |
| F31 | C30 | C32 | H19 | 1.4° | 0.2° |
| C23 | C7 | N9 | H3 | 123.7° | 119.9° |
| C23 | C7 | N9 | C10 | 109.8° | 75.5° |
| C23 | C7 | N9 | C14 | 71.1° | 104.4° |
| C7 | C23 | N25 | H17 | 7.6° | 4.8° |
| N9 | C7 | C23 | O24 | 29.2° | 0.2° |
| C7 | N9 | C10 | C14 | 179.1° | 179.9° |
| C7 | N9 | C14 | O15 | 0.2° | 0.0° |
| C7 | N9 | C10 | C11 | 36.8° | 64.3° |
| C7 | N9 | C14 | C16 | 178.7° | 180.0° |
| C7 | N9 | C10 | H4 | 157.3° | 55.3° |
| C7 | N9 | C10 | H5 | 83.8° | 176.1° |
| C12 | C11 | C10 | N9 | 55.6° | 47.5° |
| C12 | C11 | C10 | H11 | 119.6° | 120.3° |
| C12 | C11 | C10 | H12 | 119.6° | 120.4° |
| C12 | C11 | C10 | H4 | 176.1° | 72.1° |
| C12 | C11 | C10 | H5 | 65.0° | 167.2° |
| C11 | C12 | C13 | H6 | 0.6° | 1.2° |
| C12 | C11 | H11 | H12 | 121.3° | 119.3° |
| O24 | C23 | C7 | H3 | 153.0° | 120.1° |
| O24 | C23 | N25 | H17 | 173.4° | 175.3° |
| C10 | N9 | C14 | O15 | 179.4° | 179.9° |
| N9 | C10 | C11 | H4 | 120.5° | 119.6° |
| N9 | C10 | C11 | H5 | 120.6° | 119.6° |
| C10 | N9 | C14 | C16 | 0.4° | 0.0° |
| C10 | N9 | C7 | H3 | 126.5° | 164.6° |
| N9 | C10 | H4 | H5 | 118.3° | 120.8° |
| N9 | C10 | C11 | H11 | 175.1° | 167.8° |
| N9 | C10 | C11 | H12 | 64.0° | 72.8° |
| N9 | C14 | O15 | C16 | 179.0° | 180.0° |
| C14 | N9 | C10 | C11 | 144.1° | 115.8° |
| N9 | C14 | C16 | C17 | 85.4° | 180.0° |
| C14 | N9 | C7 | H3 | 52.6° | 15.5° |
| C14 | N9 | C10 | H4 | 23.6° | 124.6° |
| C14 | N9 | C10 | H5 | 95.3° | 3.8° |
| N9 | C14 | C16 | H13 | 33.9° | 60.0° |
| N9 | C14 | C16 | H14 | 155.4° | 60.0° |
| O15 | C14 | C16 | C17 | 93.6° | 0.0° |
| O15 | C14 | C16 | H13 | 147.2° | 119.9° |
| O15 | C14 | C16 | H14 | 25.7° | 120.0° |
| C11 | C10 | H4 | H5 | 118.3° | 120.8° |
| C10 | C11 | H11 | H12 | 121.3° | 119.3° |
| C14 | C16 | C17 | O22 | 74.3° | 85.3° |
| C14 | C16 | C17 | C18 | 103.4° | 95.0° |
| C14 | C16 | C17 | H13 | 119.3° | 120.0° |
| C14 | C16 | C17 | H14 | 119.3° | 120.0° |
| C14 | C16 | H13 | H14 | 122.2° | 120.0° |
| O22 | N21 | C19 | H16 | 180.0° | 179.5° |
| O22 | N21 | C19 | O20 | 179.6° | 179.7° |
| O22 | N21 | C19 | C18 | 0.4° | 0.3° |
| N21 | O22 | C17 | C18 | 0.9° | 0.4° |
| N21 | O22 | C17 | C16 | 179.0° | 179.8° |
| N21 | C19 | O20 | C18 | 179.9° | 179.9° |
| C19 | N21 | O22 | C17 | 0.8° | 0.4° |
| N21 | C19 | C18 | C17 | 0.2° | 0.0° |
| N21 | C19 | C18 | H15 | 179.9° | 180.0° |
| O20 | C19 | C18 | C17 | 179.8° | 179.9° |
| O20 | C19 | C18 | H15 | 0.2° | 0.0° |
| O20 | C19 | N21 | H16 | 0.4° | 0.1° |
| O22 | C17 | C18 | C19 | 0.6° | 0.2° |
| O22 | C17 | C18 | C16 | 178.1° | 179.7° |
| O22 | C17 | C16 | H13 | 166.4° | 34.7° |
| O22 | C17 | C16 | H14 | 45.0° | 154.7° |
| O22 | C17 | C18 | H15 | 179.4° | 179.7° |
| C17 | O22 | N21 | H16 | 179.1° | 180.0° |
| C19 | C18 | C17 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 178.7° | 180.0° |
| C18 | C19 | N21 | H16 | 179.6° | 179.8° |
| C18 | C17 | C16 | H13 | 15.8° | 145.0° |
| C18 | C17 | C16 | H14 | 137.3° | 25.0° |
| C17 | C16 | H13 | H14 | 122.1° | 120.0° |
| C16 | C17 | C18 | H15 | 1.3° | 0.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.4° |
| H4 | C10 | C11 | H11 | 64.3° | 48.2° |
| H4 | C10 | C11 | H12 | 56.5° | 167.6° |
| H5 | C10 | C11 | H11 | 54.6° | 72.5° |
| H5 | C10 | C11 | H12 | 175.5° | 46.8° |
| H7 | C28 | C27 | H18 | 1.7° | 0.1° |
| H8 | C1 | H9 | H10 | 120.0° | 120.1° |
| H20 | C34 | H21 | H22 | 120.0° | 120.0° |
| H23 | C35 | H24 | H25 | 119.9° | 120.1° |
| H26 | C36 | H27 | H28 | 120.0° | 120.0° |
