A1ARO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| F33 | C31 | sing | 1.40Å | 1.35Å | |
| F34 | C31 | sing | 1.40Å | 1.34Å | |
| C25 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C31 | F32 | sing | 1.40Å | 1.34Å | |
| C30 | N29 | sing | 1.46Å | 1.45Å | |
| C28 | N29 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| N29 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | N17 | sing | 1.40Å | 1.37Å | |
| C15 | C14 | sing | 1.46Å | 1.43Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | N21 | sing | 1.47Å | 1.47Å | |
| C24 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | N17 | sing | 1.46Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | doub | 1.36Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.43Å | 1.42Å | |
| C22 | N21 | sing | 1.47Å | 1.46Å | |
| N21 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | trip | 1.17Å | 1.19Å | |
| C11 | C10 | sing | 1.47Å | 1.48Å | |
| C10 | N09 | sing | 1.47Å | 1.46Å | |
| N09 | C08 | sing | 1.40Å | 1.36Å | |
| O02 | C03 | sing | 1.36Å | 1.38Å | |
| O02 | C01 | sing | 1.43Å | 1.44Å | |
| C08 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.36Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | S35 | sing | 1.76Å | 1.79Å | |
| C36 | S35 | sing | 1.81Å | 1.83Å | |
| S35 | O38 | doub | 1.42Å | 1.58Å | |
| S35 | O37 | doub | 1.42Å | 1.59Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.08Å | 1.08Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C07 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| N09 | H30 | sing | 0.97Å | 1.00Å | |
| N17 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 122.6° | 120.7° |
| C26 | C27 | C28 | 116.2° | 120.1° |
| C27 | C26 | H23 | 118.7° | 119.6° |
| C26 | C27 | H24 | 121.9° | 119.9° |
| C26 | C25 | C16 | 121.3° | 120.3° |
| C26 | C25 | H22 | 119.3° | 119.8° |
| C25 | C26 | H23 | 118.7° | 119.7° |
| C27 | C28 | N29 | 130.5° | 133.1° |
| C27 | C28 | C15 | 122.0° | 119.4° |
| C28 | C27 | H24 | 121.9° | 120.0° |
| F33 | C31 | F34 | 107.5° | 109.5° |
| F33 | C31 | C30 | 109.7° | 109.5° |
| F33 | C31 | F32 | 106.9° | 109.5° |
| F34 | C31 | C30 | 112.2° | 109.5° |
| F34 | C31 | F32 | 108.0° | 109.5° |
| C25 | C16 | C15 | 116.7° | 119.6° |
| C25 | C16 | N17 | 123.8° | 120.2° |
| C16 | C25 | H22 | 119.4° | 119.9° |
| C30 | C31 | F32 | 112.3° | 109.4° |
| C31 | C30 | N29 | 112.8° | 109.5° |
| C31 | C30 | H25 | 108.6° | 109.5° |
| C31 | C30 | H26 | 108.6° | 109.5° |
| C30 | N29 | C28 | 126.1° | 125.1° |
| C30 | N29 | C13 | 125.4° | 125.1° |
| N29 | C30 | H25 | 108.6° | 109.4° |
| N29 | C30 | H26 | 108.6° | 109.5° |
| N29 | C28 | C15 | 107.5° | 107.5° |
| C28 | N29 | C13 | 108.5° | 109.7° |
| C28 | C15 | C16 | 121.2° | 119.9° |
| C28 | C15 | C14 | 107.3° | 106.4° |
| N29 | C13 | C14 | 108.7° | 109.5° |
| N29 | C13 | C12 | 123.9° | 125.2° |
| C15 | C16 | N17 | 119.5° | 120.2° |
| C16 | C15 | C14 | 131.5° | 133.8° |
| C16 | N17 | C18 | 124.9° | 120.0° |
| C16 | N17 | H31 | 105.5° | 120.0° |
| C15 | C14 | C13 | 108.0° | 107.0° |
| C15 | C14 | H19 | 126.0° | 126.5° |
| C24 | C23 | N21 | 112.8° | 109.5° |
| C23 | C24 | C18 | 109.4° | 109.3° |
| C24 | C23 | H11 | 108.6° | 109.5° |
| C24 | C23 | H12 | 108.6° | 109.5° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.4° |
| C23 | N21 | C22 | 114.5° | 111.0° |
| C23 | N21 | C20 | 112.5° | 111.2° |
| N21 | C23 | H11 | 108.7° | 109.4° |
| N21 | C23 | H12 | 108.6° | 109.5° |
| C24 | C18 | N17 | 112.2° | 109.5° |
| C24 | C18 | C19 | 109.4° | 109.2° |
| C24 | C18 | H3 | 108.1° | 109.6° |
| C18 | C24 | H20 | 109.5° | 109.5° |
| C18 | C24 | H21 | 109.5° | 109.5° |
| N17 | C18 | C19 | 109.8° | 109.5° |
| N17 | C18 | H3 | 109.2° | 109.6° |
| C18 | N17 | H31 | 105.5° | 120.0° |
| C18 | C19 | C20 | 109.7° | 109.3° |
| C19 | C18 | H3 | 108.1° | 109.5° |
| C18 | C19 | H4 | 109.4° | 109.5° |
| C18 | C19 | H5 | 109.4° | 109.6° |
| C14 | C13 | C12 | 127.3° | 125.3° |
| C13 | C14 | H19 | 126.0° | 126.6° |
| C13 | C12 | C11 | 178.6° | 180.0° |
| C22 | N21 | C20 | 114.9° | 111.0° |
| N21 | C22 | H8 | 109.5° | 109.5° |
| N21 | C22 | H9 | 109.4° | 109.4° |
| N21 | C22 | H10 | 109.5° | 109.5° |
| N21 | C20 | C19 | 113.6° | 109.5° |
| N21 | C20 | H6 | 108.4° | 109.5° |
| N21 | C20 | H7 | 108.4° | 109.5° |
| C20 | C19 | H4 | 109.4° | 109.5° |
| C20 | C19 | H5 | 109.4° | 109.5° |
| C19 | C20 | H6 | 108.4° | 109.5° |
| C19 | C20 | H7 | 108.4° | 109.4° |
| C12 | C11 | C10 | 178.0° | 180.0° |
| C11 | C10 | N09 | 110.1° | 109.5° |
| C11 | C10 | H1 | 109.3° | 109.5° |
| C11 | C10 | H2 | 109.3° | 109.5° |
| C10 | N09 | C08 | 128.7° | 120.0° |
| N09 | C10 | H1 | 109.3° | 109.4° |
| N09 | C10 | H2 | 109.3° | 109.5° |
| C10 | N09 | H30 | 104.5° | 120.0° |
| N09 | C08 | C03 | 122.6° | 120.1° |
| N09 | C08 | C07 | 119.7° | 120.1° |
| C08 | N09 | H30 | 104.5° | 120.0° |
| C03 | O02 | C01 | 120.2° | 117.0° |
| O02 | C03 | C08 | 115.9° | 120.1° |
| O02 | C03 | C04 | 123.4° | 120.1° |
| O02 | C01 | H13 | 109.5° | 109.5° |
| O02 | C01 | H14 | 109.5° | 109.5° |
| O02 | C01 | H15 | 109.5° | 109.5° |
| C03 | C08 | C07 | 117.8° | 119.8° |
| C08 | C03 | C04 | 120.7° | 119.8° |
| C08 | C07 | C06 | 121.4° | 120.0° |
| C08 | C07 | H18 | 119.3° | 120.0° |
| C03 | C04 | C05 | 120.3° | 120.0° |
| C03 | C04 | H16 | 119.8° | 119.9° |
| C07 | C06 | C05 | 118.4° | 120.1° |
| C07 | C06 | H17 | 120.8° | 120.0° |
| C06 | C07 | H18 | 119.3° | 120.0° |
| C04 | C05 | C06 | 121.4° | 120.2° |
| C04 | C05 | S35 | 117.9° | 119.9° |
| C05 | C04 | H16 | 119.9° | 120.0° |
| C06 | C05 | S35 | 120.7° | 119.9° |
| C05 | C06 | H17 | 120.8° | 119.9° |
| C05 | S35 | C36 | 103.1° | 104.5° |
| C05 | S35 | O38 | 108.6° | 104.2° |
| C05 | S35 | O37 | 107.7° | 104.3° |
| C36 | S35 | O38 | 107.7° | 110.6° |
| C36 | S35 | O37 | 107.6° | 110.6° |
| S35 | C36 | H27 | 109.5° | 109.5° |
| S35 | C36 | H28 | 109.4° | 109.5° |
| S35 | C36 | H29 | 109.5° | 109.5° |
| O38 | S35 | O37 | 120.8° | 121.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.4° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.6° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C36 | H28 | 109.5° | 109.5° |
| H27 | C36 | H29 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H23 | 180.0° | 179.7° |
| C26 | C27 | C28 | H24 | 180.0° | 179.7° |
| C27 | C26 | C25 | C16 | 0.7° | 0.0° |
| C26 | C27 | C28 | N29 | 179.7° | 179.9° |
| C26 | C27 | C28 | C15 | 0.5° | 0.6° |
| C27 | C26 | C25 | H22 | 179.3° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.3° |
| C26 | C25 | C16 | H22 | 180.0° | 180.0° |
| C26 | C25 | C16 | C15 | 1.2° | 0.0° |
| C26 | C25 | C16 | N17 | 179.8° | 180.0° |
| C25 | C26 | C27 | H24 | 179.8° | 180.0° |
| C27 | C28 | N29 | C30 | 0.0° | 0.1° |
| C27 | C28 | N29 | C15 | 179.8° | 179.4° |
| C27 | C28 | N29 | C13 | 178.9° | 179.3° |
| C27 | C28 | C15 | C16 | 0.0° | 0.6° |
| C27 | C28 | C15 | C14 | 179.9° | 179.6° |
| C28 | C27 | C26 | H23 | 179.8° | 180.0° |
| F33 | C31 | F34 | C30 | 120.6° | 120.0° |
| F33 | C31 | F34 | F32 | 115.1° | 120.0° |
| F33 | C31 | C30 | F32 | 118.7° | 120.0° |
| F33 | C31 | C30 | N29 | 60.7° | 180.0° |
| F33 | C31 | C30 | H25 | 178.8° | 60.1° |
| F33 | C31 | C30 | H26 | 59.8° | 59.9° |
| F34 | C31 | C30 | F32 | 121.9° | 120.0° |
| F34 | C31 | C30 | N29 | 179.9° | 60.0° |
| F34 | C31 | C30 | H25 | 59.5° | 60.0° |
| F34 | C31 | C30 | H26 | 59.6° | 180.0° |
| C25 | C16 | C15 | C28 | 0.9° | 0.3° |
| C25 | C16 | C15 | N17 | 178.6° | 180.0° |
| C25 | C16 | C15 | C14 | 179.3° | 180.0° |
| C25 | C16 | N17 | C18 | 16.2° | 0.0° |
| C16 | C25 | C26 | H23 | 179.3° | 179.7° |
| C25 | C16 | N17 | H31 | 138.3° | 180.0° |
| C31 | C30 | N29 | H25 | 120.5° | 120.0° |
| C31 | C30 | N29 | H26 | 120.5° | 120.1° |
| C31 | C30 | N29 | C28 | 81.7° | 89.9° |
| C31 | C30 | N29 | C13 | 99.5° | 90.8° |
| C31 | C30 | H25 | H26 | 118.5° | 120.1° |
| F32 | C31 | C30 | N29 | 58.0° | 60.0° |
| F32 | C31 | C30 | H25 | 62.4° | 180.0° |
| F32 | C31 | C30 | H26 | 178.5° | 60.0° |
| C30 | N29 | C28 | C13 | 178.9° | 179.4° |
| C30 | N29 | C28 | C15 | 179.8° | 179.5° |
| C30 | N29 | C13 | C14 | 179.5° | 179.7° |
| C30 | N29 | C13 | C12 | 2.0° | 0.7° |
| N29 | C30 | H25 | H26 | 118.5° | 120.0° |
| N29 | C28 | C15 | C16 | 179.8° | 179.9° |
| N29 | C28 | C15 | C14 | 0.1° | 0.1° |
| C28 | N29 | C13 | C14 | 1.6° | 0.3° |
| C28 | N29 | C13 | C12 | 179.0° | 179.9° |
| N29 | C28 | C27 | H24 | 0.3° | 0.3° |
| C28 | N29 | C30 | H25 | 157.8° | 30.1° |
| C28 | N29 | C30 | H26 | 38.7° | 150.0° |
| C15 | C28 | N29 | C13 | 0.9° | 0.1° |
| C28 | C15 | C16 | C14 | 179.8° | 179.8° |
| C28 | C15 | C16 | N17 | 179.5° | 179.7° |
| C28 | C15 | C14 | C13 | 1.0° | 0.3° |
| C28 | C15 | C14 | H19 | 178.9° | 179.6° |
| C15 | C28 | C27 | H24 | 179.5° | 179.7° |
| N29 | C13 | C14 | C15 | 1.6° | 0.3° |
| N29 | C13 | C14 | C12 | 177.4° | 179.6° |
| N29 | C13 | C12 | C11 | 122.8° | 137.2° |
| N29 | C13 | C14 | H19 | 178.4° | 179.6° |
| C13 | N29 | C30 | H25 | 21.0° | 149.3° |
| C13 | N29 | C30 | H26 | 140.0° | 29.3° |
| C15 | C16 | N17 | C18 | 162.3° | 180.0° |
| C16 | C15 | C14 | C13 | 178.8° | 180.0° |
| C16 | C15 | C14 | H19 | 1.2° | 0.1° |
| C15 | C16 | C25 | H22 | 178.7° | 180.0° |
| C15 | C16 | N17 | H31 | 40.2° | 0.0° |
| N17 | C16 | C15 | C14 | 0.6° | 0.1° |
| C16 | N17 | C18 | C24 | 75.8° | 85.3° |
| C16 | N17 | C18 | H31 | 122.1° | 179.9° |
| C16 | N17 | C18 | C19 | 162.3° | 155.0° |
| C16 | N17 | C18 | H3 | 44.1° | 34.9° |
| N17 | C16 | C25 | H22 | 0.2° | 0.0° |
| C15 | C14 | C13 | H19 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 179.0° | 180.0° |
| C24 | C23 | N21 | H11 | 120.5° | 120.0° |
| C24 | C23 | N21 | H12 | 120.5° | 120.0° |
| C23 | C24 | C18 | H20 | 120.0° | 119.9° |
| C23 | C24 | C18 | H21 | 120.0° | 119.9° |
| C23 | C24 | C18 | N17 | 179.6° | 177.5° |
| C23 | C24 | C18 | C19 | 58.3° | 57.6° |
| C24 | C23 | N21 | C22 | 172.7° | 174.2° |
| C24 | C23 | N21 | C20 | 53.7° | 61.7° |
| C23 | C24 | C18 | H3 | 59.2° | 62.3° |
| C24 | C23 | H11 | H12 | 118.5° | 120.0° |
| C23 | C24 | H20 | H21 | 120.0° | 120.0° |
| N21 | C23 | C24 | C18 | 57.0° | 59.2° |
| C23 | N21 | C22 | C20 | 132.5° | 124.2° |
| C23 | N21 | C20 | C19 | 52.2° | 61.7° |
| C23 | N21 | C20 | H6 | 68.4° | 178.2° |
| C23 | N21 | C20 | H7 | 172.9° | 58.2° |
| C23 | N21 | C22 | H8 | 180.0° | 60.0° |
| C23 | N21 | C22 | H9 | 60.0° | 180.0° |
| C23 | N21 | C22 | H10 | 60.0° | 60.0° |
| N21 | C23 | H11 | H12 | 118.5° | 120.0° |
| N21 | C23 | C24 | H20 | 62.9° | 179.1° |
| N21 | C23 | C24 | H21 | 177.0° | 60.8° |
| C24 | C18 | N17 | C19 | 121.9° | 119.7° |
| C24 | C18 | N17 | H3 | 119.8° | 120.2° |
| C24 | C18 | C19 | H3 | 117.5° | 119.9° |
| C24 | C18 | C19 | C20 | 56.6° | 57.6° |
| C24 | C18 | C19 | H4 | 63.4° | 62.3° |
| C24 | C18 | C19 | H5 | 176.6° | 177.6° |
| C18 | C24 | C23 | H11 | 63.4° | 60.8° |
| C18 | C24 | C23 | H12 | 177.5° | 179.2° |
| C18 | C24 | H20 | H21 | 120.0° | 120.2° |
| C24 | C18 | N17 | H31 | 46.3° | 94.7° |
| N17 | C18 | C19 | H3 | 119.0° | 120.1° |
| N17 | C18 | C19 | C20 | 179.9° | 177.5° |
| N17 | C18 | C19 | H4 | 60.1° | 57.6° |
| N17 | C18 | C19 | H5 | 59.9° | 62.5° |
| N17 | C18 | C24 | H20 | 60.3° | 62.5° |
| N17 | C18 | C24 | H21 | 59.7° | 57.7° |
| C18 | C19 | C20 | N21 | 53.9° | 59.1° |
| C18 | C19 | C20 | H4 | 120.0° | 119.9° |
| C18 | C19 | C20 | H5 | 120.0° | 120.0° |
| C18 | C19 | H4 | H5 | 119.9° | 120.1° |
| C18 | C19 | C20 | H6 | 66.7° | 179.2° |
| C18 | C19 | C20 | H7 | 174.5° | 60.9° |
| C19 | C18 | C24 | H20 | 61.7° | 177.6° |
| C19 | C18 | C24 | H21 | 178.2° | 62.2° |
| C19 | C18 | N17 | H31 | 75.5° | 25.0° |
| C14 | C13 | C12 | C11 | 54.2° | 42.4° |
| C13 | C12 | C11 | C10 | 30.4° | 103.9° |
| C12 | C13 | C14 | H19 | 1.0° | 0.1° |
| C22 | N21 | C20 | C19 | 174.3° | 174.2° |
| C22 | N21 | C20 | H6 | 65.1° | 54.2° |
| C22 | N21 | C20 | H7 | 53.7° | 65.9° |
| N21 | C22 | H8 | H9 | 120.0° | 120.0° |
| N21 | C22 | H8 | H10 | 120.1° | 120.0° |
| N21 | C22 | H9 | H10 | 120.0° | 120.0° |
| C22 | N21 | C23 | H11 | 66.8° | 65.8° |
| C22 | N21 | C23 | H12 | 52.2° | 54.1° |
| N21 | C20 | C19 | H6 | 120.6° | 120.1° |
| N21 | C20 | C19 | H7 | 120.6° | 120.0° |
| N21 | C20 | C19 | H4 | 66.1° | 60.8° |
| N21 | C20 | C19 | H5 | 173.9° | 179.2° |
| N21 | C20 | H6 | H7 | 118.1° | 120.0° |
| C20 | N21 | C22 | H8 | 47.5° | 175.8° |
| C20 | N21 | C22 | H9 | 72.5° | 55.8° |
| C20 | N21 | C22 | H10 | 167.6° | 64.2° |
| C20 | N21 | C23 | H11 | 66.8° | 58.3° |
| C20 | N21 | C23 | H12 | 174.1° | 178.2° |
| C20 | C19 | C18 | H3 | 60.9° | 62.3° |
| C20 | C19 | H4 | H5 | 119.9° | 120.1° |
| C19 | C20 | H6 | H7 | 118.2° | 119.9° |
| C12 | C11 | C10 | N09 | 162.3° | 118.5° |
| C12 | C11 | C10 | H1 | 42.2° | 121.5° |
| C12 | C11 | C10 | H2 | 77.6° | 1.5° |
| C11 | C10 | N09 | H1 | 120.1° | 120.0° |
| C11 | C10 | N09 | H2 | 120.1° | 120.0° |
| C11 | C10 | N09 | C08 | 78.6° | 180.0° |
| C11 | C10 | H1 | H2 | 119.7° | 120.0° |
| C11 | C10 | N09 | H30 | 158.9° | 0.0° |
| C10 | N09 | C08 | H30 | 122.5° | 180.0° |
| C10 | N09 | C08 | C03 | 178.5° | 180.0° |
| C10 | N09 | C08 | C07 | 3.1° | 0.0° |
| N09 | C10 | H1 | H2 | 119.7° | 120.0° |
| N09 | C08 | C03 | O02 | 1.5° | 0.2° |
| N09 | C08 | C03 | C07 | 178.4° | 179.9° |
| N09 | C08 | C03 | C04 | 179.1° | 180.0° |
| N09 | C08 | C07 | C06 | 178.8° | 179.9° |
| C08 | N09 | C10 | H1 | 41.5° | 60.0° |
| C08 | N09 | C10 | H2 | 161.3° | 60.0° |
| N09 | C08 | C07 | H18 | 1.1° | 0.1° |
| O02 | C03 | C08 | C04 | 179.4° | 179.8° |
| O02 | C03 | C08 | C07 | 179.9° | 179.7° |
| O02 | C03 | C04 | C05 | 179.9° | 179.8° |
| C03 | O02 | C01 | H13 | 180.0° | 60.0° |
| C03 | O02 | C01 | H14 | 60.0° | 60.0° |
| C03 | O02 | C01 | H15 | 60.0° | 180.0° |
| O02 | C03 | C04 | H16 | 0.1° | 0.2° |
| C01 | O02 | C03 | C08 | 164.1° | 179.8° |
| C01 | O02 | C03 | C04 | 15.3° | 0.0° |
| O02 | C01 | H13 | H14 | 120.0° | 120.0° |
| O02 | C01 | H13 | H15 | 120.0° | 120.0° |
| O02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C03 | C08 | C07 | C06 | 0.4° | 0.1° |
| C08 | C03 | C04 | C05 | 0.6° | 0.0° |
| C08 | C03 | C04 | H16 | 179.4° | 180.0° |
| C03 | C08 | C07 | H18 | 179.6° | 180.0° |
| C03 | C08 | N09 | H30 | 56.0° | 0.0° |
| C07 | C08 | C03 | C04 | 0.7° | 0.1° |
| C08 | C07 | C06 | H18 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 0.0° | 0.1° |
| C08 | C07 | C06 | H17 | 180.0° | 180.0° |
| C07 | C08 | N09 | H30 | 125.7° | 180.0° |
| C03 | C04 | C05 | H16 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | S35 | 179.3° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C07 | C06 | C05 | H17 | 180.0° | 180.0° |
| C07 | C06 | C05 | S35 | 179.6° | 180.0° |
| C04 | C05 | C06 | S35 | 179.5° | 180.0° |
| C04 | C05 | S35 | C36 | 57.6° | 89.9° |
| C04 | C05 | S35 | O38 | 171.6° | 26.1° |
| C04 | C05 | S35 | O37 | 55.9° | 154.0° |
| C04 | C05 | C06 | H17 | 179.8° | 180.0° |
| C06 | C05 | S35 | C36 | 121.9° | 90.0° |
| C06 | C05 | S35 | O38 | 7.8° | 153.9° |
| C06 | C05 | S35 | O37 | 124.6° | 26.1° |
| C06 | C05 | C04 | H16 | 179.9° | 180.0° |
| C05 | C06 | C07 | H18 | 180.0° | 179.9° |
| C05 | S35 | C36 | O38 | 114.7° | 111.6° |
| C05 | S35 | C36 | O37 | 113.6° | 111.6° |
| C05 | S35 | O38 | O37 | 125.0° | 116.7° |
| S35 | C05 | C04 | H16 | 0.6° | 0.0° |
| S35 | C05 | C06 | H17 | 0.4° | 0.0° |
| C05 | S35 | C36 | H27 | 180.0° | 60.0° |
| C05 | S35 | C36 | H28 | 60.0° | 180.0° |
| C05 | S35 | C36 | H29 | 60.0° | 60.0° |
| C36 | S35 | O38 | O37 | 124.0° | 131.6° |
| S35 | C36 | H27 | H28 | 120.0° | 120.0° |
| S35 | C36 | H27 | H29 | 120.0° | 120.0° |
| S35 | C36 | H28 | H29 | 120.0° | 120.0° |
| O38 | S35 | C36 | H27 | 65.3° | 171.6° |
| O38 | S35 | C36 | H28 | 174.7° | 68.4° |
| O38 | S35 | C36 | H29 | 54.7° | 51.6° |
| O37 | S35 | C36 | H27 | 66.4° | 51.6° |
| O37 | S35 | C36 | H28 | 53.6° | 68.4° |
| O37 | S35 | C36 | H29 | 173.6° | 171.6° |
| H1 | C10 | N09 | H30 | 81.0° | 120.0° |
| H2 | C10 | N09 | H30 | 38.8° | 120.0° |
| H3 | C18 | C19 | H4 | 179.1° | 177.8° |
| H3 | C18 | C19 | H5 | 59.1° | 57.7° |
| H3 | C18 | C24 | H20 | 179.2° | 57.7° |
| H3 | C18 | C24 | H21 | 60.8° | 177.9° |
| H3 | C18 | N17 | H31 | 166.2° | 145.1° |
| H4 | C19 | C20 | H6 | 173.3° | 59.3° |
| H4 | C19 | C20 | H7 | 54.5° | 179.2° |
| H5 | C19 | C20 | H6 | 53.3° | 60.8° |
| H5 | C19 | C20 | H7 | 65.5° | 59.2° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H11 | C23 | C24 | H20 | 176.6° | 59.2° |
| H11 | C23 | C24 | H21 | 56.5° | 179.3° |
| H12 | C23 | C24 | H20 | 57.5° | 60.8° |
| H12 | C23 | C24 | H21 | 62.5° | 59.3° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H17 | C06 | C07 | H18 | 0.0° | 0.1° |
| H22 | C25 | C26 | H23 | 0.7° | 0.3° |
| H23 | C26 | C27 | H24 | 0.2° | 0.3° |
| H27 | C36 | H28 | H29 | 120.0° | 120.0° |
