A1IRE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL09 | C08 | sing | 1.74Å | 1.79Å | |
| C08 | C10 | doub | 1.35Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.36Å | 1.36Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
| O14 | C13 | doub | 1.22Å | 1.19Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C13 | N15 | sing | 1.35Å | 1.45Å | |
| C13 | C12 | sing | 1.42Å | 1.53Å | |
| N11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| N11 | C05 | sing | 1.37Å | 1.30Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | N04 | doub | 1.33Å | 1.36Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | N04 | sing | 1.32Å | 1.32Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.51Å | 1.53Å | |
| C23 | C26 | sing | 1.54Å | 1.52Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.49Å | |
| C25 | C29 | sing | 1.53Å | 1.49Å | |
| C27 | N28 | sing | 1.48Å | 1.49Å | |
| C29 | N28 | sing | 1.48Å | 1.49Å | |
| N28 | S30 | sing | 1.66Å | 1.70Å | |
| F36 | C33 | sing | 1.40Å | 1.36Å | |
| C33 | F34 | sing | 1.40Å | 1.36Å | |
| C33 | S30 | sing | 1.81Å | 1.81Å | |
| C33 | F35 | sing | 1.40Å | 1.36Å | |
| S30 | O31 | doub | 1.42Å | 1.46Å | |
| S30 | O32 | doub | 1.42Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| N15 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL09 | C08 | C10 | 120.9° | 119.9° |
| CL09 | C08 | C07 | 119.3° | 120.0° |
| C10 | C08 | C07 | 119.8° | 120.1° |
| C08 | C10 | N11 | 120.7° | 120.6° |
| C08 | C10 | H1 | 119.7° | 119.7° |
| C08 | C07 | C06 | 117.9° | 119.6° |
| C08 | C07 | H5 | 121.1° | 120.2° |
| C10 | N11 | C12 | 130.2° | 132.4° |
| C10 | N11 | C05 | 121.0° | 120.7° |
| N11 | C10 | H1 | 119.7° | 119.7° |
| C07 | C06 | C05 | 119.6° | 119.4° |
| C07 | C06 | H4 | 120.2° | 120.3° |
| C06 | C07 | H5 | 121.1° | 120.2° |
| O14 | C13 | N15 | 119.2° | 120.0° |
| O14 | C13 | C12 | 120.4° | 120.0° |
| N15 | C16 | C17 | 106.9° | 109.5° |
| C16 | N15 | C13 | 120.7° | 120.0° |
| N15 | C16 | H9 | 110.1° | 109.4° |
| N15 | C16 | H10 | 110.1° | 109.5° |
| C16 | N15 | H24 | 119.6° | 120.0° |
| C16 | C17 | C22 | 119.8° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C16 | H9 | 110.1° | 109.5° |
| C17 | C16 | H10 | 110.1° | 109.5° |
| N15 | C13 | C12 | 120.4° | 120.0° |
| C13 | N15 | H24 | 119.7° | 120.0° |
| C13 | C12 | N11 | 126.9° | 126.7° |
| C13 | C12 | C03 | 126.7° | 126.8° |
| C12 | N11 | C05 | 108.7° | 106.9° |
| N11 | C12 | C03 | 106.4° | 106.4° |
| N11 | C05 | C06 | 121.1° | 119.5° |
| N11 | C05 | N04 | 108.9° | 108.6° |
| C06 | C05 | N04 | 130.0° | 131.8° |
| C05 | C06 | H4 | 120.2° | 120.2° |
| C12 | C03 | N04 | 106.9° | 108.2° |
| C12 | C03 | C02 | 127.7° | 125.9° |
| C05 | N04 | C03 | 109.0° | 109.8° |
| C22 | C17 | C18 | 120.3° | 120.0° |
| C17 | C22 | C21 | 119.7° | 120.0° |
| C17 | C22 | H14 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C17 | C18 | H11 | 120.0° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C22 | C21 | H13 | 119.9° | 120.0° |
| C21 | C22 | H14 | 120.1° | 120.0° |
| N04 | C03 | C02 | 125.4° | 125.9° |
| C03 | C02 | C01 | 112.9° | 109.4° |
| C03 | C02 | H2 | 108.6° | 109.5° |
| C03 | C02 | H3 | 108.6° | 109.4° |
| C18 | C19 | C20 | 119.5° | 120.0° |
| C19 | C18 | H11 | 120.0° | 120.0° |
| C18 | C19 | H12 | 120.2° | 120.0° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C21 | C20 | C23 | 118.9° | 120.0° |
| C20 | C21 | H13 | 119.9° | 120.0° |
| C01 | C02 | H2 | 108.6° | 109.4° |
| C01 | C02 | H3 | 108.6° | 109.6° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.6° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C19 | C20 | C23 | 120.8° | 120.0° |
| C20 | C19 | H12 | 120.2° | 120.0° |
| C20 | C23 | C26 | 129.2° | 113.6° |
| C20 | C23 | C24 | 107.3° | 113.6° |
| C20 | C23 | H15 | 109.1° | 112.8° |
| C26 | C23 | C24 | 90.2° | 87.4° |
| C23 | C26 | C25 | 89.7° | 86.8° |
| C26 | C23 | H15 | 109.1° | 113.6° |
| C23 | C26 | H18 | 114.1° | 113.7° |
| C23 | C26 | H19 | 114.2° | 113.7° |
| C23 | C24 | C25 | 89.5° | 86.7° |
| C24 | C23 | H15 | 109.1° | 113.6° |
| C23 | C24 | H16 | 114.2° | 113.7° |
| C23 | C24 | H17 | 114.2° | 113.7° |
| C26 | C25 | C24 | 90.3° | 88.1° |
| C26 | C25 | C27 | 97.9° | 121.3° |
| C26 | C25 | C29 | 168.9° | 121.3° |
| C25 | C26 | H18 | 114.1° | 113.7° |
| C25 | C26 | H19 | 114.2° | 113.6° |
| C24 | C25 | C27 | 99.5° | 121.3° |
| C24 | C25 | C29 | 97.1° | 121.3° |
| C25 | C24 | H16 | 114.2° | 113.7° |
| C25 | C24 | H17 | 114.2° | 113.6° |
| C27 | C25 | C29 | 89.0° | 87.4° |
| C25 | C27 | N28 | 88.9° | 85.8° |
| C25 | C27 | H20 | 114.3° | 113.8° |
| C25 | C27 | H21 | 114.3° | 113.9° |
| C25 | C29 | N28 | 88.8° | 85.8° |
| C25 | C29 | H22 | 114.4° | 113.9° |
| C25 | C29 | H23 | 114.4° | 113.9° |
| C27 | N28 | C29 | 88.7° | 91.3° |
| C27 | N28 | S30 | 134.5° | 134.4° |
| N28 | C27 | H20 | 114.3° | 113.8° |
| N28 | C27 | H21 | 114.4° | 113.9° |
| C29 | N28 | S30 | 135.2° | 134.4° |
| N28 | C29 | H22 | 114.4° | 113.8° |
| N28 | C29 | H23 | 114.4° | 113.9° |
| N28 | S30 | C33 | 110.4° | 104.5° |
| N28 | S30 | O31 | 111.6° | 104.3° |
| N28 | S30 | O32 | 110.6° | 104.3° |
| F36 | C33 | F34 | 109.4° | 109.5° |
| F36 | C33 | S30 | 109.2° | 109.5° |
| F36 | C33 | F35 | 109.5° | 109.5° |
| F34 | C33 | S30 | 109.9° | 109.4° |
| F34 | C33 | F35 | 109.6° | 109.4° |
| S30 | C33 | F35 | 109.1° | 109.5° |
| C33 | S30 | O31 | 111.5° | 110.5° |
| C33 | S30 | O32 | 110.8° | 110.5° |
| O31 | S30 | O32 | 101.7° | 121.0° |
| H2 | C02 | H3 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 112.9° |
| H18 | C26 | H19 | 109.5° | 113.0° |
| H20 | C27 | H21 | 109.5° | 113.1° |
| H22 | C29 | H23 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL09 | C08 | C10 | C07 | 180.0° | 180.0° |
| CL09 | C08 | C10 | N11 | 180.0° | 180.0° |
| CL09 | C08 | C07 | C06 | 180.0° | 179.4° |
| CL09 | C08 | C10 | H1 | 0.0° | 0.2° |
| CL09 | C08 | C07 | H5 | 0.1° | 0.3° |
| C08 | C10 | N11 | H1 | 180.0° | 179.8° |
| C10 | C08 | C07 | C06 | 0.0° | 0.6° |
| C08 | C10 | N11 | C12 | 179.7° | 179.7° |
| C08 | C10 | N11 | C05 | 0.1° | 0.2° |
| C10 | C08 | C07 | H5 | 180.0° | 179.7° |
| C07 | C08 | C10 | N11 | 0.1° | 0.0° |
| C08 | C07 | C06 | H5 | 180.0° | 179.1° |
| C08 | C07 | C06 | C05 | 0.1° | 0.9° |
| C07 | C08 | C10 | H1 | 179.9° | 179.7° |
| C08 | C07 | C06 | H4 | 179.9° | 179.8° |
| C10 | N11 | C12 | C13 | 0.8° | 0.1° |
| C10 | N11 | C12 | C05 | 179.7° | 179.9° |
| C10 | N11 | C05 | C06 | 0.1° | 0.0° |
| C10 | N11 | C12 | C03 | 179.9° | 180.0° |
| C10 | N11 | C05 | N04 | 180.0° | 180.0° |
| C07 | C06 | C05 | N11 | 0.0° | 0.6° |
| C07 | C06 | C05 | H4 | 180.0° | 179.4° |
| C07 | C06 | C05 | N04 | 179.9° | 179.4° |
| O14 | C13 | N15 | C16 | 0.4° | 5.2° |
| O14 | C13 | N15 | C12 | 179.5° | 179.9° |
| O14 | C13 | C12 | N11 | 22.7° | 99.4° |
| O14 | C13 | C12 | C03 | 156.5° | 80.6° |
| O14 | C13 | N15 | H24 | 179.6° | 174.8° |
| N15 | C16 | C17 | H9 | 119.6° | 120.0° |
| N15 | C16 | C17 | H10 | 119.6° | 120.0° |
| C16 | N15 | C13 | H24 | 180.0° | 180.0° |
| C16 | N15 | C13 | C12 | 179.1° | 174.9° |
| N15 | C16 | C17 | C22 | 118.7° | 90.0° |
| N15 | C16 | C17 | C18 | 60.4° | 89.8° |
| N15 | C16 | H9 | H10 | 121.2° | 120.0° |
| C17 | C16 | N15 | C13 | 101.7° | 180.0° |
| C16 | C17 | C22 | C18 | 179.1° | 179.8° |
| C16 | C17 | C22 | C21 | 179.7° | 179.8° |
| C16 | C17 | C18 | C19 | 179.7° | 180.0° |
| C17 | C16 | H9 | H10 | 121.2° | 120.0° |
| C16 | C17 | C18 | H11 | 0.4° | 0.0° |
| C16 | C17 | C22 | H14 | 0.4° | 0.0° |
| C17 | C16 | N15 | H24 | 78.3° | 0.0° |
| N15 | C13 | C12 | N11 | 157.8° | 80.7° |
| N15 | C13 | C12 | C03 | 23.0° | 99.4° |
| C13 | N15 | C16 | H9 | 138.7° | 60.0° |
| C13 | N15 | C16 | H10 | 17.9° | 60.0° |
| C13 | C12 | N11 | C03 | 179.3° | 180.0° |
| C13 | C12 | N11 | C05 | 179.6° | 180.0° |
| C13 | C12 | C03 | N04 | 179.4° | 180.0° |
| C13 | C12 | C03 | C02 | 0.3° | 0.0° |
| C12 | C13 | N15 | H24 | 0.9° | 5.1° |
| C12 | N11 | C05 | C06 | 179.8° | 180.0° |
| C12 | N11 | C05 | N04 | 0.3° | 0.0° |
| N11 | C12 | C03 | N04 | 0.1° | 0.0° |
| N11 | C12 | C03 | C02 | 179.6° | 180.0° |
| C12 | N11 | C10 | H1 | 0.3° | 0.1° |
| N11 | C05 | C06 | N04 | 179.9° | 180.0° |
| C05 | N11 | C12 | C03 | 0.3° | 0.0° |
| N11 | C05 | N04 | C03 | 0.2° | 0.0° |
| C05 | N11 | C10 | H1 | 179.9° | 180.0° |
| N11 | C05 | C06 | H4 | 180.0° | 180.0° |
| C06 | C05 | N04 | C03 | 179.9° | 180.0° |
| C05 | C06 | C07 | H5 | 179.9° | 180.0° |
| C12 | C03 | N04 | C05 | 0.0° | 0.0° |
| C12 | C03 | N04 | C02 | 179.8° | 180.0° |
| C12 | C03 | C02 | C01 | 164.9° | 90.0° |
| C12 | C03 | C02 | H2 | 74.6° | 30.0° |
| C12 | C03 | C02 | H3 | 44.4° | 150.0° |
| C05 | N04 | C03 | C02 | 179.8° | 180.0° |
| N04 | C05 | C06 | H4 | 0.1° | 0.1° |
| C17 | C22 | C21 | H14 | 180.0° | 179.8° |
| C22 | C17 | C18 | C19 | 0.6° | 0.2° |
| C17 | C22 | C21 | C20 | 0.5° | 0.5° |
| C22 | C17 | C16 | H9 | 121.7° | 150.0° |
| C22 | C17 | C16 | H10 | 0.9° | 30.0° |
| C22 | C17 | C18 | H11 | 179.5° | 179.8° |
| C17 | C22 | C21 | H13 | 179.5° | 179.8° |
| C18 | C17 | C22 | C21 | 0.6° | 0.5° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C18 | C17 | C16 | H9 | 59.2° | 30.2° |
| C18 | C17 | C16 | H10 | 180.0° | 150.2° |
| C17 | C18 | C19 | H12 | 179.5° | 179.9° |
| C18 | C17 | C22 | H14 | 179.5° | 179.7° |
| C22 | C21 | C20 | H13 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.4° | 0.2° |
| C22 | C21 | C20 | C23 | 179.9° | 179.8° |
| N04 | C03 | C02 | C01 | 14.8° | 90.0° |
| N04 | C03 | C02 | H2 | 105.7° | 150.0° |
| N04 | C03 | C02 | H3 | 135.4° | 30.0° |
| C03 | C02 | C01 | H2 | 120.5° | 120.0° |
| C03 | C02 | C01 | H3 | 120.5° | 120.0° |
| C03 | C02 | H2 | H3 | 118.4° | 120.0° |
| C03 | C02 | C01 | H6 | 180.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 60.0° |
| C03 | C02 | C01 | H8 | 60.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.0° |
| C18 | C19 | C20 | H12 | 180.0° | 179.9° |
| C18 | C19 | C20 | C23 | 179.9° | 179.9° |
| C21 | C20 | C19 | C23 | 179.4° | 179.9° |
| C21 | C20 | C23 | C26 | 95.2° | 60.0° |
| C21 | C20 | C23 | C24 | 159.8° | 37.8° |
| C21 | C20 | C19 | H12 | 179.6° | 179.9° |
| C20 | C21 | C22 | H14 | 179.5° | 179.7° |
| C21 | C20 | C23 | H15 | 41.7° | 169.0° |
| C01 | C02 | H2 | H3 | 118.4° | 120.1° |
| C02 | C01 | H6 | H7 | 120.0° | 120.1° |
| C02 | C01 | H6 | H8 | 120.0° | 119.9° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C19 | C20 | C23 | C26 | 84.2° | 120.0° |
| C19 | C20 | C23 | C24 | 20.8° | 142.2° |
| C20 | C19 | C18 | H11 | 179.5° | 180.0° |
| C19 | C20 | C21 | H13 | 179.6° | 180.0° |
| C19 | C20 | C23 | H15 | 138.9° | 11.1° |
| C20 | C23 | C26 | C24 | 112.8° | 114.6° |
| C20 | C23 | C26 | H15 | 136.9° | 130.7° |
| C20 | C23 | C24 | H15 | 118.1° | 130.7° |
| C20 | C23 | C26 | C25 | 116.0° | 139.3° |
| C20 | C23 | C24 | C25 | 134.8° | 139.3° |
| C23 | C20 | C19 | H12 | 0.1° | 0.0° |
| C23 | C20 | C21 | H13 | 0.1° | 0.1° |
| C20 | C23 | C24 | H16 | 108.8° | 106.2° |
| C20 | C23 | C24 | H17 | 18.3° | 24.9° |
| C20 | C23 | C26 | H18 | 0.5° | 24.8° |
| C20 | C23 | C26 | H19 | 127.4° | 106.3° |
| C26 | C23 | C24 | H15 | 110.4° | 114.6° |
| C23 | C26 | C25 | H18 | 116.5° | 114.5° |
| C23 | C26 | C25 | H19 | 116.5° | 114.5° |
| C26 | C23 | C24 | C25 | 3.2° | 24.6° |
| C23 | C26 | C25 | C27 | 96.4° | 101.2° |
| C23 | C26 | C25 | C29 | 135.9° | 150.9° |
| C26 | C23 | C24 | H16 | 119.7° | 139.1° |
| C26 | C23 | C24 | H17 | 113.2° | 89.8° |
| C23 | C26 | H18 | H19 | 129.4° | 131.5° |
| C23 | C24 | C25 | H16 | 116.4° | 114.5° |
| C23 | C24 | C25 | H17 | 116.4° | 114.5° |
| C23 | C24 | C25 | C27 | 94.8° | 101.3° |
| C23 | C24 | C25 | C29 | 175.1° | 150.9° |
| C23 | C24 | H16 | H17 | 129.5° | 131.5° |
| C24 | C23 | C26 | H18 | 113.2° | 89.8° |
| C24 | C23 | C26 | H19 | 119.8° | 139.1° |
| C26 | C25 | C24 | C27 | 98.0° | 126.1° |
| C26 | C25 | C24 | C29 | 171.8° | 126.1° |
| C26 | C25 | C27 | C29 | 171.3° | 125.5° |
| C26 | C25 | C27 | N28 | 155.0° | 102.5° |
| C26 | C25 | C29 | N28 | 112.1° | 102.5° |
| C25 | C26 | C23 | H15 | 107.1° | 90.1° |
| C26 | C25 | C24 | H16 | 119.7° | 139.3° |
| C26 | C25 | C24 | H17 | 113.2° | 89.7° |
| C25 | C26 | H18 | H19 | 129.4° | 131.4° |
| C26 | C25 | C27 | H20 | 38.6° | 11.7° |
| C26 | C25 | C27 | H21 | 88.7° | 143.3° |
| C26 | C25 | C29 | H22 | 131.6° | 143.3° |
| C26 | C25 | C29 | H23 | 4.2° | 11.8° |
| C24 | C25 | C27 | C29 | 97.1° | 125.5° |
| C24 | C25 | C27 | N28 | 113.4° | 148.6° |
| C24 | C25 | C29 | N28 | 115.7° | 148.5° |
| C25 | C24 | C23 | H15 | 107.2° | 90.0° |
| C25 | C24 | H16 | H17 | 129.5° | 131.4° |
| C24 | C25 | C26 | H18 | 113.3° | 89.7° |
| C24 | C25 | C26 | H19 | 119.8° | 139.3° |
| C24 | C25 | C27 | H20 | 130.3° | 97.3° |
| C24 | C25 | C27 | H21 | 3.0° | 34.3° |
| C24 | C25 | C29 | H22 | 0.6° | 34.4° |
| C24 | C25 | C29 | H23 | 128.0° | 97.2° |
| C25 | C27 | N28 | H20 | 116.3° | 114.2° |
| C25 | C27 | N28 | H21 | 116.3° | 114.2° |
| C27 | C25 | C29 | N28 | 16.3° | 23.0° |
| C25 | C27 | N28 | S30 | 150.7° | 156.1° |
| C27 | C25 | C24 | H16 | 21.7° | 13.2° |
| C27 | C25 | C24 | H17 | 148.8° | 144.3° |
| C27 | C25 | C26 | H18 | 147.1° | 144.3° |
| C27 | C25 | C26 | H19 | 20.1° | 13.3° |
| C25 | C27 | H20 | H21 | 129.8° | 131.9° |
| C27 | C25 | C29 | H22 | 100.0° | 91.1° |
| C27 | C25 | C29 | H23 | 132.6° | 137.3° |
| C25 | C29 | N28 | H22 | 116.3° | 114.2° |
| C25 | C29 | N28 | H23 | 116.3° | 114.3° |
| C25 | C29 | N28 | S30 | 150.6° | 156.1° |
| C29 | C25 | C24 | H16 | 68.5° | 94.6° |
| C29 | C25 | C24 | H17 | 58.6° | 36.4° |
| C29 | C25 | C26 | H18 | 19.4° | 36.4° |
| C29 | C25 | C26 | H19 | 107.5° | 94.6° |
| C29 | C25 | C27 | H20 | 132.6° | 137.2° |
| C29 | C25 | C27 | H21 | 100.1° | 91.2° |
| C25 | C29 | H22 | H23 | 129.8° | 132.0° |
| C27 | N28 | C29 | S30 | 166.8° | 180.0° |
| C27 | N28 | S30 | C33 | 43.5° | 90.0° |
| C27 | N28 | S30 | O31 | 168.1° | 26.1° |
| C27 | N28 | S30 | O32 | 79.5° | 154.0° |
| N28 | C27 | H20 | H21 | 129.8° | 132.0° |
| C27 | N28 | C29 | H22 | 100.1° | 90.4° |
| C27 | N28 | C29 | H23 | 132.5° | 138.1° |
| C29 | N28 | S30 | C33 | 117.8° | 90.1° |
| C29 | N28 | S30 | O31 | 6.8° | 153.9° |
| C29 | N28 | S30 | O32 | 119.2° | 26.0° |
| C29 | N28 | C27 | H20 | 132.6° | 138.0° |
| C29 | N28 | C27 | H21 | 100.1° | 90.4° |
| N28 | C29 | H22 | H23 | 129.9° | 131.9° |
| N28 | S30 | C33 | F36 | 10.0° | 180.0° |
| N28 | S30 | C33 | F34 | 110.1° | 60.0° |
| N28 | S30 | C33 | O31 | 124.7° | 111.6° |
| N28 | S30 | C33 | O32 | 122.8° | 111.6° |
| N28 | S30 | C33 | F35 | 129.6° | 59.9° |
| N28 | S30 | O31 | O32 | 117.9° | 116.8° |
| S30 | N28 | C27 | H20 | 34.4° | 42.0° |
| S30 | N28 | C27 | H21 | 93.0° | 89.6° |
| S30 | N28 | C29 | H22 | 93.1° | 89.7° |
| S30 | N28 | C29 | H23 | 34.3° | 41.8° |
| F36 | C33 | F34 | S30 | 120.0° | 120.0° |
| F36 | C33 | F34 | F35 | 120.1° | 120.0° |
| F36 | C33 | S30 | F35 | 119.6° | 120.1° |
| F36 | C33 | S30 | O31 | 134.7° | 68.4° |
| F36 | C33 | S30 | O32 | 112.8° | 68.3° |
| F34 | C33 | S30 | F35 | 120.3° | 119.9° |
| F34 | C33 | S30 | O31 | 14.6° | 171.6° |
| F34 | C33 | S30 | O32 | 127.1° | 51.7° |
| C33 | S30 | O31 | O32 | 118.1° | 131.5° |
| F35 | C33 | S30 | O31 | 105.7° | 51.7° |
| F35 | C33 | S30 | O32 | 6.8° | 171.6° |
| H2 | C02 | C01 | H6 | 59.5° | 180.0° |
| H2 | C02 | C01 | H7 | 179.5° | 60.0° |
| H2 | C02 | C01 | H8 | 60.5° | 60.0° |
| H3 | C02 | C01 | H6 | 59.5° | 60.0° |
| H3 | C02 | C01 | H7 | 60.6° | 180.0° |
| H3 | C02 | C01 | H8 | 179.5° | 60.0° |
| H4 | C06 | C07 | H5 | 0.1° | 0.6° |
| H6 | C01 | H7 | H8 | 119.9° | 120.0° |
| H9 | C16 | N15 | H24 | 41.3° | 120.0° |
| H10 | C16 | N15 | H24 | 162.1° | 120.0° |
| H11 | C18 | C19 | H12 | 0.5° | 0.1° |
| H13 | C21 | C22 | H14 | 0.5° | 0.0° |
| H15 | C23 | C24 | H16 | 9.3° | 24.5° |
| H15 | C23 | C24 | H17 | 136.4° | 155.6° |
| H15 | C23 | C26 | H18 | 136.4° | 155.5° |
| H15 | C23 | C26 | H19 | 9.4° | 24.4° |
