UEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | S40 | sing | 1.81Å | 1.81Å | |
| S40 | C39 | sing | 1.76Å | 1.80Å | |
| O44 | C07 | doub | 1.21Å | 1.18Å | |
| O45 | C16 | sing | 1.36Å | 1.39Å | |
| C39 | N42 | doub | 1.31Å | 1.33Å | Aromatic |
| C39 | N38 | sing | 1.36Å | 1.32Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.54Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.52Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.52Å | |
| C07 | N06 | sing | 1.34Å | 1.49Å | |
| N42 | C26 | sing | 1.35Å | 1.31Å | Aromatic |
| N38 | C27 | sing | 1.38Å | 1.31Å | Aromatic |
| C08 | C13 | sing | 1.41Å | 1.48Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.52Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.52Å | Aromatic |
| C16 | C04 | sing | 1.38Å | 1.52Å | Aromatic |
| C05 | N06 | sing | 1.46Å | 1.43Å | |
| C05 | C04 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.38Å | 1.52Å | Aromatic |
| N06 | C14 | sing | 1.35Å | 1.48Å | |
| C04 | C03 | doub | 1.40Å | 1.50Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.50Å | |
| C27 | C28 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | sing | 1.48Å | 1.52Å | |
| C13 | C12 | doub | 1.38Å | 1.54Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.52Å | Aromatic |
| C43 | C25 | doub | 1.39Å | 1.50Å | Aromatic |
| C43 | C21 | sing | 1.39Å | 1.50Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.51Å | Aromatic |
| C14 | O15 | doub | 1.21Å | 1.18Å | |
| O36 | C34 | doub | 1.21Å | 1.19Å | |
| C25 | C24 | sing | 1.40Å | 1.51Å | Aromatic |
| C03 | C19 | sing | 1.40Å | 1.50Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.51Å | |
| N20 | C21 | sing | 1.40Å | 1.42Å | |
| N20 | C02 | sing | 1.35Å | 1.41Å | |
| C28 | C37 | doub | 1.40Å | 1.48Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.48Å | Aromatic |
| C37 | C32 | sing | 1.39Å | 1.50Å | Aromatic |
| C19 | F46 | sing | 1.35Å | 1.35Å | |
| C21 | C22 | doub | 1.39Å | 1.51Å | Aromatic |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | N33 | sing | 1.35Å | 1.45Å | |
| C24 | C23 | doub | 1.38Å | 1.52Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.51Å | Aromatic |
| C32 | N33 | sing | 1.40Å | 1.44Å | |
| C32 | N31 | doub | 1.32Å | 1.47Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.53Å | Aromatic |
| C30 | N31 | sing | 1.32Å | 1.48Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.08Å | 1.08Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.08Å | 1.08Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C41 | H19 | sing | 1.09Å | 1.10Å | |
| C41 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.08Å | 1.08Å | |
| N20 | H22 | sing | 0.97Å | 1.00Å | |
| N33 | H23 | sing | 0.97Å | 1.00Å | |
| N38 | H24 | sing | 0.97Å | 1.00Å | |
| O45 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | S40 | C39 | 102.9° | 100.0° |
| S40 | C41 | H18 | 109.5° | 109.5° |
| S40 | C41 | H19 | 109.4° | 109.5° |
| S40 | C41 | H20 | 109.5° | 109.5° |
| S40 | C39 | N42 | 123.4° | 125.4° |
| S40 | C39 | N38 | 126.5° | 125.4° |
| O44 | C07 | C08 | 126.2° | 125.7° |
| O44 | C07 | N06 | 126.5° | 125.7° |
| O45 | C16 | C17 | 119.6° | 119.9° |
| O45 | C16 | C04 | 120.6° | 120.0° |
| C16 | O45 | H26 | 109.5° | 114.0° |
| N42 | C39 | N38 | 110.1° | 109.2° |
| C39 | N42 | C26 | 106.7° | 109.6° |
| C39 | N38 | C27 | 106.5° | 107.2° |
| C39 | N38 | H24 | 126.8° | 126.4° |
| C08 | C09 | C10 | 119.0° | 119.8° |
| C09 | C08 | C07 | 130.9° | 134.3° |
| C09 | C08 | C13 | 121.0° | 119.8° |
| C08 | C09 | H17 | 120.5° | 120.1° |
| C09 | C10 | C11 | 120.1° | 120.4° |
| C09 | C10 | H1 | 120.0° | 119.8° |
| C10 | C09 | H17 | 120.5° | 120.1° |
| C08 | C07 | N06 | 107.3° | 108.6° |
| C07 | C08 | C13 | 108.0° | 105.9° |
| C07 | N06 | C05 | 125.7° | 124.5° |
| C07 | N06 | C14 | 109.3° | 111.1° |
| N42 | C26 | C27 | 108.4° | 107.7° |
| N42 | C26 | C25 | 121.2° | 126.2° |
| N38 | C27 | C26 | 108.4° | 106.3° |
| N38 | C27 | C28 | 122.6° | 126.9° |
| C27 | N38 | H24 | 126.8° | 126.4° |
| C08 | C13 | C14 | 107.9° | 105.9° |
| C08 | C13 | C12 | 120.3° | 119.9° |
| C10 | C11 | C12 | 120.4° | 120.4° |
| C11 | C10 | H1 | 120.0° | 119.7° |
| C10 | C11 | H2 | 119.8° | 119.7° |
| C17 | C16 | C04 | 119.8° | 120.1° |
| C16 | C17 | C18 | 121.0° | 120.3° |
| C16 | C17 | H4 | 119.5° | 119.8° |
| C16 | C04 | C05 | 123.6° | 120.0° |
| C16 | C04 | C03 | 118.1° | 119.8° |
| N06 | C05 | C04 | 108.3° | 109.5° |
| C05 | N06 | C14 | 124.9° | 124.4° |
| N06 | C05 | H15 | 109.7° | 109.5° |
| N06 | C05 | H16 | 109.8° | 109.5° |
| C05 | C04 | C03 | 118.3° | 120.1° |
| C04 | C05 | H15 | 109.8° | 109.5° |
| C04 | C05 | H16 | 109.7° | 109.4° |
| C17 | C18 | C19 | 118.5° | 120.2° |
| C18 | C17 | H4 | 119.5° | 119.9° |
| C17 | C18 | H5 | 120.7° | 119.9° |
| N06 | C14 | C13 | 107.3° | 108.6° |
| N06 | C14 | O15 | 124.7° | 125.7° |
| C04 | C03 | C19 | 122.6° | 119.7° |
| C04 | C03 | C02 | 122.1° | 120.1° |
| C27 | C26 | C25 | 130.4° | 126.2° |
| C26 | C27 | C28 | 128.9° | 126.8° |
| C26 | C25 | C43 | 111.7° | 120.1° |
| C26 | C25 | C24 | 125.5° | 120.1° |
| C27 | C28 | C37 | 117.9° | 121.0° |
| C27 | C28 | C29 | 119.8° | 120.9° |
| C14 | C13 | C12 | 131.7° | 134.3° |
| C13 | C14 | O15 | 127.9° | 125.7° |
| C13 | C12 | C11 | 119.2° | 119.7° |
| C13 | C12 | H3 | 120.4° | 120.2° |
| C12 | C11 | H2 | 119.8° | 119.8° |
| C11 | C12 | H3 | 120.4° | 120.1° |
| C25 | C43 | C21 | 118.3° | 119.8° |
| C43 | C25 | C24 | 122.8° | 119.8° |
| C25 | C43 | H21 | 120.8° | 120.1° |
| C43 | C21 | N20 | 113.3° | 120.1° |
| C43 | C21 | C22 | 121.4° | 119.9° |
| C21 | C43 | H21 | 120.8° | 120.0° |
| C18 | C19 | C03 | 119.8° | 119.9° |
| C18 | C19 | F46 | 124.4° | 120.1° |
| C19 | C18 | H5 | 120.8° | 119.9° |
| O36 | C34 | C35 | 120.9° | 120.0° |
| O36 | C34 | N33 | 122.4° | 120.0° |
| C25 | C24 | C23 | 118.2° | 120.0° |
| C25 | C24 | H8 | 120.9° | 120.0° |
| C19 | C03 | C02 | 115.2° | 120.2° |
| C03 | C19 | F46 | 115.8° | 120.0° |
| C03 | C02 | N20 | 109.7° | 120.0° |
| C03 | C02 | O01 | 125.3° | 120.0° |
| C21 | N20 | C02 | 124.1° | 120.0° |
| N20 | C21 | C22 | 125.3° | 120.0° |
| C21 | N20 | H22 | 118.0° | 120.0° |
| N20 | C02 | O01 | 124.8° | 120.0° |
| C02 | N20 | H22 | 117.9° | 120.0° |
| C37 | C28 | C29 | 122.2° | 118.1° |
| C28 | C37 | C32 | 119.5° | 118.9° |
| C28 | C37 | H14 | 120.2° | 120.5° |
| C28 | C29 | C30 | 117.1° | 119.1° |
| C28 | C29 | H9 | 121.5° | 120.4° |
| C37 | C32 | N33 | 124.2° | 119.6° |
| C37 | C32 | N31 | 119.2° | 120.8° |
| C32 | C37 | H14 | 120.2° | 120.5° |
| C21 | C22 | C23 | 119.2° | 120.2° |
| C21 | C22 | H6 | 120.4° | 119.9° |
| C35 | C34 | N33 | 116.6° | 120.0° |
| C34 | C35 | H11 | 109.5° | 109.5° |
| C34 | C35 | H12 | 109.5° | 109.5° |
| C34 | C35 | H13 | 109.5° | 109.5° |
| C34 | N33 | C32 | 125.9° | 120.0° |
| C34 | N33 | H23 | 117.0° | 120.1° |
| C24 | C23 | C22 | 120.1° | 120.2° |
| C24 | C23 | H7 | 120.0° | 119.9° |
| C23 | C24 | H8 | 120.9° | 120.0° |
| C29 | C30 | N31 | 120.9° | 121.0° |
| C30 | C29 | H9 | 121.4° | 120.5° |
| C29 | C30 | H10 | 119.5° | 119.5° |
| N33 | C32 | N31 | 116.6° | 119.6° |
| C32 | N33 | H23 | 117.0° | 120.0° |
| C32 | N31 | C30 | 120.9° | 122.0° |
| C23 | C22 | H6 | 120.4° | 119.9° |
| C22 | C23 | H7 | 120.0° | 119.9° |
| N31 | C30 | H10 | 119.5° | 119.5° |
| H11 | C35 | H12 | 109.5° | 109.4° |
| H11 | C35 | H13 | 109.4° | 109.4° |
| H12 | C35 | H13 | 109.4° | 109.5° |
| H15 | C05 | H16 | 109.5° | 109.4° |
| H18 | C41 | H19 | 109.5° | 109.5° |
| H18 | C41 | H20 | 109.5° | 109.4° |
| H19 | C41 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | S40 | C39 | N42 | 73.4° | 0.0° |
| C41 | S40 | C39 | N38 | 105.2° | 179.5° |
| S40 | C41 | H18 | H19 | 120.0° | 120.0° |
| S40 | C41 | H18 | H20 | 120.0° | 120.0° |
| S40 | C41 | H19 | H20 | 120.0° | 120.1° |
| S40 | C39 | N42 | N38 | 178.7° | 179.5° |
| S40 | C39 | N42 | C26 | 179.5° | 180.0° |
| S40 | C39 | N38 | C27 | 179.5° | 179.8° |
| C39 | S40 | C41 | H18 | 180.0° | 60.0° |
| C39 | S40 | C41 | H19 | 60.0° | 59.9° |
| C39 | S40 | C41 | H20 | 60.0° | 180.0° |
| S40 | C39 | N38 | H24 | 0.6° | 0.5° |
| O44 | C07 | C08 | C09 | 0.1° | 0.4° |
| O44 | C07 | C08 | N06 | 180.0° | 180.0° |
| O44 | C07 | C08 | C13 | 179.6° | 180.0° |
| O44 | C07 | N06 | C05 | 0.2° | 0.0° |
| O44 | C07 | N06 | C14 | 180.0° | 180.0° |
| O45 | C16 | C17 | C04 | 179.3° | 179.7° |
| O45 | C16 | C04 | C05 | 0.2° | 0.3° |
| O45 | C16 | C17 | C18 | 179.6° | 179.7° |
| O45 | C16 | C04 | C03 | 179.2° | 179.7° |
| O45 | C16 | C17 | H4 | 0.4° | 0.3° |
| N42 | C39 | N38 | C27 | 0.8° | 0.3° |
| C39 | N42 | C26 | C27 | 0.4° | 0.4° |
| C39 | N42 | C26 | C25 | 178.7° | 179.8° |
| N42 | C39 | N38 | H24 | 179.3° | 180.0° |
| N38 | C39 | N42 | C26 | 0.7° | 0.5° |
| C39 | N38 | C27 | H24 | 180.0° | 179.6° |
| C39 | N38 | C27 | C26 | 0.5° | 0.1° |
| C39 | N38 | C27 | C28 | 178.1° | 180.0° |
| C08 | C09 | C10 | H17 | 180.0° | 179.8° |
| C09 | C08 | C07 | C13 | 179.7° | 179.7° |
| C09 | C08 | C07 | N06 | 179.8° | 179.7° |
| C08 | C09 | C10 | C11 | 0.2° | 0.5° |
| C09 | C08 | C13 | C14 | 179.5° | 179.7° |
| C09 | C08 | C13 | C12 | 0.5° | 0.3° |
| C08 | C09 | C10 | H1 | 179.8° | 179.7° |
| C10 | C09 | C08 | C07 | 179.8° | 179.8° |
| C10 | C09 | C08 | C13 | 0.1° | 0.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.2° | 0.2° |
| C09 | C10 | C11 | H2 | 179.8° | 179.7° |
| C08 | C07 | N06 | C05 | 179.7° | 180.0° |
| C08 | C07 | N06 | C14 | 0.0° | 0.0° |
| C07 | C08 | C13 | C14 | 0.7° | 0.0° |
| C07 | C08 | C13 | C12 | 179.8° | 180.0° |
| C07 | C08 | C09 | H17 | 0.2° | 0.0° |
| N06 | C07 | C08 | C13 | 0.4° | 0.0° |
| C07 | N06 | C05 | C14 | 179.7° | 180.0° |
| C07 | N06 | C05 | C04 | 121.4° | 97.8° |
| C07 | N06 | C14 | C13 | 0.4° | 0.0° |
| C07 | N06 | C14 | O15 | 179.1° | 180.0° |
| C07 | N06 | C05 | H15 | 1.6° | 22.3° |
| C07 | N06 | C05 | H16 | 118.8° | 142.3° |
| N42 | C26 | C27 | N38 | 0.1° | 0.2° |
| N42 | C26 | C27 | C25 | 178.1° | 179.8° |
| N42 | C26 | C27 | C28 | 177.5° | 179.7° |
| N42 | C26 | C25 | C43 | 57.3° | 35.3° |
| N42 | C26 | C25 | C24 | 121.9° | 144.7° |
| N38 | C27 | C26 | C28 | 177.4° | 179.9° |
| N38 | C27 | C26 | C25 | 178.0° | 180.0° |
| N38 | C27 | C28 | C37 | 29.4° | 45.0° |
| N38 | C27 | C28 | C29 | 147.3° | 135.3° |
| C08 | C13 | C14 | N06 | 0.7° | 0.0° |
| C08 | C13 | C14 | C12 | 178.9° | 180.0° |
| C08 | C13 | C12 | C11 | 0.4° | 0.0° |
| C08 | C13 | C14 | O15 | 179.3° | 180.0° |
| C08 | C13 | C12 | H3 | 179.6° | 180.0° |
| C13 | C08 | C09 | H17 | 179.8° | 179.7° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C11 | C10 | C09 | H17 | 179.8° | 179.7° |
| C17 | C16 | C04 | C05 | 179.1° | 179.9° |
| C16 | C17 | C18 | H4 | 180.0° | 180.0° |
| C17 | C16 | C04 | C03 | 1.6° | 0.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H5 | 179.9° | 179.9° |
| C17 | C16 | O45 | H26 | 180.0° | 90.1° |
| C16 | C04 | C05 | N06 | 57.4° | 77.9° |
| C16 | C04 | C05 | C03 | 179.4° | 179.9° |
| C04 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C04 | C03 | C19 | 2.6° | 0.1° |
| C16 | C04 | C03 | C02 | 178.8° | 180.0° |
| C04 | C16 | C17 | H4 | 179.7° | 180.0° |
| C16 | C04 | C05 | H15 | 62.4° | 42.2° |
| C16 | C04 | C05 | H16 | 177.2° | 162.1° |
| C04 | C16 | O45 | H26 | 0.7° | 90.3° |
| N06 | C05 | C04 | H15 | 119.8° | 120.0° |
| N06 | C05 | C04 | H16 | 119.8° | 120.0° |
| N06 | C05 | C04 | C03 | 122.0° | 102.1° |
| C05 | N06 | C14 | C13 | 179.8° | 180.0° |
| C05 | N06 | C14 | O15 | 1.2° | 0.0° |
| N06 | C05 | H15 | H16 | 120.6° | 120.0° |
| C04 | C05 | N06 | C14 | 58.3° | 82.2° |
| C05 | C04 | C03 | C19 | 178.1° | 180.0° |
| C05 | C04 | C03 | C02 | 1.8° | 0.1° |
| C04 | C05 | H15 | H16 | 120.5° | 119.9° |
| C17 | C18 | C19 | H5 | 180.0° | 179.9° |
| C17 | C18 | C19 | C03 | 0.8° | 0.1° |
| C17 | C18 | C19 | F46 | 179.3° | 180.0° |
| N06 | C14 | C13 | O15 | 178.6° | 180.0° |
| N06 | C14 | C13 | C12 | 179.6° | 180.0° |
| C14 | N06 | C05 | H15 | 178.1° | 157.8° |
| C14 | N06 | C05 | H16 | 61.5° | 37.8° |
| C04 | C03 | C19 | C18 | 2.2° | 0.1° |
| C04 | C03 | C19 | C02 | 176.5° | 179.9° |
| C04 | C03 | C02 | N20 | 73.5° | 83.1° |
| C04 | C03 | C19 | F46 | 177.9° | 180.0° |
| C04 | C03 | C02 | O01 | 111.2° | 97.0° |
| C03 | C04 | C05 | H15 | 118.2° | 137.9° |
| C03 | C04 | C05 | H16 | 2.1° | 18.0° |
| C27 | C26 | C25 | C43 | 120.6° | 144.9° |
| C27 | C26 | C25 | C24 | 60.2° | 35.0° |
| C26 | C27 | C28 | C37 | 153.5° | 134.9° |
| C26 | C27 | C28 | C29 | 29.7° | 44.8° |
| C26 | C27 | N38 | H24 | 179.5° | 179.7° |
| C25 | C26 | C27 | C28 | 0.6° | 0.1° |
| C26 | C25 | C43 | C24 | 179.2° | 180.0° |
| C26 | C25 | C43 | C21 | 179.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.1° | 180.0° |
| C26 | C25 | C24 | H8 | 0.9° | 0.0° |
| C26 | C25 | C43 | H21 | 1.0° | 0.1° |
| C27 | C28 | C37 | C29 | 176.6° | 179.7° |
| C27 | C28 | C37 | C32 | 177.7° | 180.0° |
| C27 | C28 | C29 | C30 | 177.4° | 180.0° |
| C27 | C28 | C29 | H9 | 2.6° | 0.0° |
| C27 | C28 | C37 | H14 | 2.3° | 0.0° |
| C28 | C27 | N38 | H24 | 1.9° | 0.4° |
| C14 | C13 | C12 | C11 | 179.2° | 179.9° |
| C14 | C13 | C12 | H3 | 0.8° | 0.0° |
| C13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C12 | C13 | C14 | O15 | 1.8° | 0.0° |
| C13 | C12 | C11 | H2 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 179.7° | 180.0° |
| C25 | C43 | C21 | H21 | 180.0° | 180.0° |
| C25 | C43 | C21 | N20 | 179.4° | 179.8° |
| C25 | C43 | C21 | C22 | 0.1° | 0.0° |
| C43 | C25 | C24 | C23 | 0.1° | 0.0° |
| C43 | C25 | C24 | H8 | 179.9° | 180.0° |
| C21 | C43 | C25 | C24 | 0.2° | 0.0° |
| C43 | C21 | N20 | C22 | 179.3° | 179.8° |
| C43 | C21 | N20 | C02 | 170.3° | 35.8° |
| C43 | C21 | C22 | C23 | 0.2° | 0.1° |
| C43 | C21 | C22 | H6 | 179.8° | 180.0° |
| C43 | C21 | N20 | H22 | 9.7° | 144.2° |
| C18 | C19 | C03 | F46 | 179.9° | 179.9° |
| C18 | C19 | C03 | C02 | 178.6° | 180.0° |
| C19 | C18 | C17 | H4 | 179.9° | 180.0° |
| O36 | C34 | C35 | N33 | 178.3° | 179.9° |
| O36 | C34 | N33 | C32 | 2.6° | 5.7° |
| O36 | C34 | C35 | H11 | 0.0° | 90.0° |
| O36 | C34 | C35 | H12 | 120.0° | 29.9° |
| O36 | C34 | C35 | H13 | 120.0° | 150.0° |
| O36 | C34 | N33 | H23 | 177.3° | 174.4° |
| C25 | C24 | C23 | H8 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.1° |
| C25 | C24 | C23 | H7 | 179.8° | 180.0° |
| C24 | C25 | C43 | H21 | 179.8° | 180.0° |
| C19 | C03 | C02 | N20 | 103.0° | 96.9° |
| C19 | C03 | C02 | O01 | 72.3° | 83.1° |
| C03 | C19 | C18 | H5 | 179.2° | 180.0° |
| C03 | C02 | N20 | C21 | 178.2° | 175.5° |
| C03 | C02 | N20 | O01 | 175.3° | 179.9° |
| C02 | C03 | C19 | F46 | 1.4° | 0.0° |
| C03 | C02 | N20 | H22 | 1.8° | 4.5° |
| C21 | N20 | C02 | H22 | 180.0° | 180.0° |
| C21 | N20 | C02 | O01 | 2.9° | 4.5° |
| N20 | C21 | C22 | C23 | 179.1° | 179.7° |
| N20 | C21 | C22 | H6 | 0.9° | 0.2° |
| N20 | C21 | C43 | H21 | 0.6° | 0.2° |
| C02 | N20 | C21 | C22 | 9.0° | 144.4° |
| C28 | C37 | C32 | H14 | 180.0° | 180.0° |
| C37 | C28 | C29 | C30 | 0.8° | 0.3° |
| C28 | C37 | C32 | N33 | 179.4° | 179.7° |
| C28 | C37 | C32 | N31 | 0.5° | 0.0° |
| C37 | C28 | C29 | H9 | 179.1° | 179.7° |
| C29 | C28 | C37 | C32 | 1.0° | 0.3° |
| C28 | C29 | C30 | H9 | 180.0° | 180.0° |
| C28 | C29 | C30 | N31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H10 | 179.8° | 180.0° |
| C29 | C28 | C37 | H14 | 178.9° | 179.7° |
| C37 | C32 | N33 | C34 | 2.5° | 174.8° |
| C37 | C32 | N33 | N31 | 179.0° | 179.7° |
| C37 | C32 | N31 | C30 | 0.2° | 0.3° |
| C37 | C32 | N33 | H23 | 177.5° | 5.2° |
| F46 | C19 | C18 | H5 | 0.7° | 0.1° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C21 | C22 | C23 | H6 | 180.0° | 179.9° |
| C21 | C22 | C23 | H7 | 179.7° | 180.0° |
| C22 | C21 | C43 | H21 | 179.9° | 180.0° |
| C22 | C21 | N20 | H22 | 171.0° | 35.6° |
| O01 | C02 | N20 | H22 | 177.1° | 175.5° |
| C35 | C34 | N33 | C32 | 179.1° | 174.4° |
| C34 | C35 | H11 | H12 | 120.0° | 120.0° |
| C34 | C35 | H11 | H13 | 120.0° | 120.0° |
| C34 | C35 | H12 | H13 | 120.0° | 120.0° |
| C35 | C34 | N33 | H23 | 1.0° | 5.6° |
| C34 | N33 | C32 | H23 | 180.0° | 180.0° |
| C34 | N33 | C32 | N31 | 178.6° | 5.5° |
| N33 | C34 | C35 | H11 | 178.4° | 90.0° |
| N33 | C34 | C35 | H12 | 58.3° | 150.0° |
| N33 | C34 | C35 | H13 | 61.7° | 30.0° |
| C24 | C23 | C22 | H7 | 180.0° | 179.9° |
| C24 | C23 | C22 | H6 | 179.7° | 180.0° |
| C29 | C30 | N31 | C32 | 0.4° | 0.3° |
| C29 | C30 | N31 | H10 | 180.0° | 179.9° |
| N33 | C32 | N31 | C30 | 178.8° | 180.0° |
| N33 | C32 | C37 | H14 | 0.5° | 0.3° |
| C32 | N31 | C30 | H10 | 179.7° | 179.8° |
| N31 | C32 | C37 | H14 | 179.5° | 180.0° |
| N31 | C32 | N33 | H23 | 1.4° | 174.5° |
| C22 | C23 | C24 | H8 | 179.8° | 180.0° |
| N31 | C30 | C29 | H9 | 179.8° | 180.0° |
| H1 | C10 | C11 | H2 | 0.2° | 0.1° |
| H1 | C10 | C09 | H17 | 0.2° | 0.1° |
| H2 | C11 | C12 | H3 | 0.1° | 0.1° |
| H4 | C17 | C18 | H5 | 0.1° | 0.1° |
| H6 | C22 | C23 | H7 | 0.3° | 0.1° |
| H7 | C23 | C24 | H8 | 0.2° | 0.1° |
| H9 | C29 | C30 | H10 | 0.2° | 0.0° |
| H11 | C35 | H12 | H13 | 120.0° | 119.9° |
| H18 | C41 | H19 | H20 | 120.0° | 119.9° |
