TQA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N31 | C30 | doub | 1.32Å | 1.26Å | Aromatic |
| N31 | C32 | sing | 1.33Å | 1.29Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.36Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| N33 | C32 | sing | 1.39Å | 1.43Å | |
| N33 | C34 | sing | 1.35Å | 1.45Å | |
| C32 | C37 | doub | 1.39Å | 1.34Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.12Å | |
| O36 | C34 | doub | 1.21Å | 1.10Å | |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.36Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.48Å | |
| C37 | C28 | sing | 1.40Å | 1.34Å | Aromatic |
| C28 | C27 | sing | 1.47Å | 1.48Å | |
| C02 | C03 | sing | 1.48Å | 1.53Å | |
| C02 | N20 | sing | 1.35Å | 1.39Å | |
| C21 | N20 | sing | 1.40Å | 1.42Å | |
| C21 | C43 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C03 | doub | 1.40Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C25 | C43 | sing | 1.39Å | 1.36Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.52Å | |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.36Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | N06 | sing | 1.47Å | 1.43Å | |
| C18 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.32Å | Aromatic |
| C27 | N38 | sing | 1.38Å | 1.27Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C13 | doub | 1.40Å | 1.37Å | Aromatic |
| C26 | N42 | sing | 1.35Å | 1.28Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.48Å | |
| C04 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| N06 | C05 | sing | 1.47Å | 1.49Å | |
| N06 | C14 | sing | 1.34Å | 1.41Å | |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| N38 | C39 | sing | 1.36Å | 1.31Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.54Å | |
| C13 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| N42 | C39 | doub | 1.31Å | 1.30Å | Aromatic |
| C14 | O15 | doub | 1.22Å | 1.14Å | |
| C39 | S40 | sing | 1.76Å | 1.81Å | |
| S40 | C41 | sing | 1.81Å | 1.76Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.08Å | 1.08Å | |
| N20 | H26 | sing | 0.97Å | 1.00Å | |
| N33 | H27 | sing | 0.97Å | 1.00Å | |
| N38 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | N31 | C32 | 123.6° | 122.1° |
| N31 | C30 | C29 | 119.0° | 121.0° |
| N31 | C30 | H17 | 120.5° | 119.5° |
| N31 | C32 | N33 | 116.3° | 119.6° |
| N31 | C32 | C37 | 121.5° | 120.7° |
| C30 | C29 | C28 | 118.7° | 119.1° |
| C30 | C29 | H16 | 120.6° | 120.5° |
| C29 | C30 | H17 | 120.5° | 119.5° |
| C22 | C23 | C24 | 121.3° | 120.2° |
| C23 | C22 | C21 | 118.4° | 120.2° |
| C23 | C22 | H6 | 120.8° | 119.9° |
| C22 | C23 | H14 | 119.3° | 119.9° |
| C23 | C24 | C25 | 119.3° | 120.0° |
| C24 | C23 | H14 | 119.3° | 119.9° |
| C23 | C24 | H15 | 120.4° | 120.0° |
| C32 | N33 | C34 | 132.9° | 120.0° |
| N33 | C32 | C37 | 121.7° | 119.7° |
| C32 | N33 | H27 | 113.6° | 120.0° |
| N33 | C34 | O36 | 116.7° | 120.0° |
| N33 | C34 | C35 | 127.3° | 120.0° |
| C34 | N33 | H27 | 113.5° | 120.0° |
| C32 | C37 | C28 | 117.3° | 118.9° |
| C32 | C37 | H21 | 121.3° | 120.5° |
| O01 | C02 | C03 | 119.3° | 120.0° |
| O01 | C02 | N20 | 120.2° | 120.1° |
| O36 | C34 | C35 | 115.9° | 120.0° |
| C22 | C21 | N20 | 124.8° | 120.0° |
| C22 | C21 | C43 | 120.4° | 120.0° |
| C21 | C22 | H6 | 120.8° | 119.9° |
| C29 | C28 | C37 | 119.6° | 118.2° |
| C29 | C28 | C27 | 120.0° | 120.9° |
| C28 | C29 | H16 | 120.6° | 120.4° |
| C24 | C25 | C43 | 120.7° | 119.8° |
| C24 | C25 | C26 | 126.2° | 120.1° |
| C25 | C24 | H15 | 120.4° | 120.0° |
| C34 | C35 | H18 | 109.5° | 109.5° |
| C34 | C35 | H19 | 109.5° | 109.5° |
| C34 | C35 | H20 | 109.5° | 109.5° |
| C37 | C28 | C27 | 120.4° | 120.9° |
| C28 | C37 | H21 | 121.4° | 120.5° |
| C28 | C27 | C26 | 128.4° | 126.9° |
| C28 | C27 | N38 | 124.4° | 126.9° |
| C03 | C02 | N20 | 120.5° | 120.0° |
| C02 | C03 | C19 | 119.1° | 120.1° |
| C02 | C03 | C04 | 120.6° | 120.2° |
| C02 | N20 | C21 | 124.3° | 119.9° |
| C02 | N20 | H26 | 117.8° | 120.0° |
| N20 | C21 | C43 | 114.6° | 120.0° |
| C21 | N20 | H26 | 117.9° | 120.0° |
| C21 | C43 | C25 | 119.9° | 119.8° |
| C21 | C43 | H25 | 120.1° | 120.1° |
| C03 | C19 | C18 | 116.7° | 119.8° |
| C19 | C03 | C04 | 120.3° | 119.7° |
| C03 | C19 | H4 | 121.6° | 120.1° |
| C19 | C18 | C17 | 124.9° | 120.2° |
| C18 | C19 | H4 | 121.6° | 120.1° |
| C19 | C18 | H5 | 117.5° | 120.0° |
| C43 | C25 | C26 | 113.0° | 120.1° |
| C25 | C43 | H25 | 120.1° | 120.1° |
| C25 | C26 | C27 | 135.2° | 126.1° |
| C25 | C26 | N42 | 118.0° | 126.1° |
| C10 | C09 | C08 | 119.5° | 120.0° |
| C09 | C10 | C11 | 120.4° | 120.2° |
| C10 | C09 | H11 | 120.2° | 120.0° |
| C09 | C10 | H12 | 119.8° | 119.9° |
| C09 | C08 | C07 | 131.2° | 133.3° |
| C09 | C08 | C13 | 120.2° | 120.3° |
| C08 | C09 | H11 | 120.3° | 120.0° |
| C03 | C04 | C05 | 116.2° | 120.1° |
| C03 | C04 | C16 | 121.5° | 119.8° |
| C08 | C07 | N06 | 106.0° | 106.3° |
| C07 | C08 | C13 | 108.6° | 106.4° |
| C08 | C07 | H9 | 110.3° | 110.1° |
| C08 | C07 | H10 | 110.3° | 110.1° |
| C07 | N06 | C05 | 125.9° | 125.6° |
| C07 | N06 | C14 | 111.1° | 108.7° |
| N06 | C07 | H9 | 110.3° | 110.1° |
| N06 | C07 | H10 | 110.4° | 110.1° |
| C18 | C17 | C16 | 116.8° | 120.3° |
| C18 | C17 | H3 | 121.6° | 119.9° |
| C17 | C18 | H5 | 117.5° | 119.9° |
| C26 | C27 | N38 | 107.2° | 106.3° |
| C27 | C26 | N42 | 106.8° | 107.7° |
| C27 | N38 | C39 | 110.4° | 107.2° |
| C27 | N38 | H28 | 124.8° | 126.4° |
| C10 | C11 | C12 | 120.6° | 120.3° |
| C10 | C11 | H1 | 119.7° | 119.8° |
| C11 | C10 | H12 | 119.8° | 119.9° |
| C08 | C13 | C14 | 108.3° | 108.2° |
| C08 | C13 | C12 | 120.9° | 119.4° |
| C26 | N42 | C39 | 110.5° | 109.6° |
| C05 | C04 | C16 | 122.3° | 120.1° |
| C04 | C05 | N06 | 107.8° | 109.5° |
| C04 | C05 | H7 | 109.9° | 109.5° |
| C04 | C05 | H8 | 109.9° | 109.5° |
| C04 | C16 | C17 | 119.7° | 120.1° |
| C04 | C16 | H2 | 120.2° | 119.9° |
| C05 | N06 | C14 | 123.0° | 125.6° |
| N06 | C05 | H7 | 109.9° | 109.5° |
| N06 | C05 | H8 | 109.9° | 109.5° |
| N06 | C14 | C13 | 106.0° | 110.3° |
| N06 | C14 | O15 | 126.2° | 124.9° |
| C17 | C16 | H2 | 120.2° | 120.0° |
| C16 | C17 | H3 | 121.6° | 119.8° |
| N38 | C39 | N42 | 105.2° | 109.2° |
| N38 | C39 | S40 | 130.2° | 125.4° |
| C39 | N38 | H28 | 124.8° | 126.4° |
| C14 | C13 | C12 | 130.8° | 132.4° |
| C13 | C14 | O15 | 127.8° | 124.8° |
| C13 | C12 | C11 | 118.2° | 119.8° |
| C13 | C12 | H13 | 120.9° | 120.1° |
| C12 | C11 | H1 | 119.7° | 119.8° |
| C11 | C12 | H13 | 120.9° | 120.1° |
| N42 | C39 | S40 | 124.6° | 125.4° |
| C39 | S40 | C41 | 110.1° | 100.0° |
| S40 | C41 | H22 | 109.5° | 109.5° |
| S40 | C41 | H23 | 109.5° | 109.5° |
| S40 | C41 | H24 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.5° | 109.4° |
| H9 | C07 | H10 | 109.5° | 110.1° |
| H18 | C35 | H19 | 109.5° | 109.4° |
| H18 | C35 | H20 | 109.5° | 109.5° |
| H19 | C35 | H20 | 109.4° | 109.4° |
| H22 | C41 | H23 | 109.5° | 109.5° |
| H22 | C41 | H24 | 109.5° | 109.4° |
| H23 | C41 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N31 | C30 | C29 | H17 | 180.0° | 180.0° |
| C30 | N31 | C32 | N33 | 179.9° | 179.7° |
| C30 | N31 | C32 | C37 | 7.3° | 0.3° |
| N31 | C30 | C29 | C28 | 1.9° | 0.0° |
| N31 | C30 | C29 | H16 | 178.1° | 179.9° |
| C32 | N31 | C30 | C29 | 5.2° | 0.3° |
| N31 | C32 | N33 | C37 | 172.5° | 180.0° |
| N31 | C32 | N33 | C34 | 175.9° | 5.5° |
| N31 | C32 | C37 | C28 | 5.7° | 0.0° |
| C32 | N31 | C30 | H17 | 174.8° | 179.6° |
| N31 | C32 | C37 | H21 | 174.3° | 180.0° |
| N31 | C32 | N33 | H27 | 4.1° | 174.6° |
| C30 | C29 | C28 | H16 | 180.0° | 179.9° |
| C30 | C29 | C28 | C37 | 0.7° | 0.3° |
| C30 | C29 | C28 | C27 | 176.5° | 180.0° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.9° | 0.0° |
| C23 | C22 | C21 | N20 | 177.8° | 180.0° |
| C23 | C22 | C21 | C43 | 3.4° | 0.3° |
| C22 | C23 | C24 | H15 | 179.1° | 180.0° |
| C24 | C23 | C22 | C21 | 1.4° | 0.0° |
| C23 | C24 | C25 | H15 | 180.0° | 179.9° |
| C23 | C24 | C25 | C43 | 1.1° | 0.3° |
| C23 | C24 | C25 | C26 | 177.3° | 180.0° |
| C24 | C23 | C22 | H6 | 178.6° | 180.0° |
| C32 | N33 | C34 | H27 | 180.0° | 179.9° |
| C32 | N33 | C34 | O36 | 174.3° | 4.5° |
| C32 | N33 | C34 | C35 | 10.1° | 175.5° |
| N33 | C32 | C37 | C28 | 177.9° | 180.0° |
| N33 | C32 | C37 | H21 | 2.1° | 0.0° |
| C34 | N33 | C32 | C37 | 3.4° | 174.5° |
| N33 | C34 | O36 | C35 | 176.1° | 180.0° |
| N33 | C34 | C35 | H18 | 175.7° | 0.0° |
| N33 | C34 | C35 | H19 | 55.6° | 120.0° |
| N33 | C34 | C35 | H20 | 64.3° | 120.0° |
| C32 | C37 | C28 | C29 | 2.6° | 0.3° |
| C32 | C37 | C28 | H21 | 180.0° | 180.0° |
| C32 | C37 | C28 | C27 | 174.6° | 180.0° |
| C37 | C32 | N33 | H27 | 176.7° | 5.4° |
| O01 | C02 | C03 | N20 | 178.2° | 179.9° |
| O01 | C02 | N20 | C21 | 2.0° | 5.0° |
| O01 | C02 | C03 | C19 | 69.2° | 174.5° |
| O01 | C02 | C03 | C04 | 111.6° | 5.2° |
| O01 | C02 | N20 | H26 | 177.9° | 175.0° |
| O36 | C34 | C35 | H18 | 0.0° | 180.0° |
| O36 | C34 | C35 | H19 | 120.0° | 60.0° |
| O36 | C34 | C35 | H20 | 120.0° | 60.0° |
| O36 | C34 | N33 | H27 | 5.7° | 175.4° |
| C22 | C21 | N20 | C02 | 19.3° | 31.5° |
| C22 | C21 | N20 | C43 | 174.7° | 179.7° |
| C22 | C21 | C43 | C25 | 3.2° | 0.5° |
| C21 | C22 | C23 | H14 | 178.6° | 180.0° |
| C22 | C21 | C43 | H25 | 176.8° | 179.7° |
| C22 | C21 | N20 | H26 | 160.7° | 148.5° |
| C29 | C28 | C37 | C27 | 177.2° | 179.7° |
| C29 | C28 | C27 | C26 | 26.0° | 46.8° |
| C29 | C28 | C27 | N38 | 151.8° | 133.2° |
| C28 | C29 | C30 | H17 | 178.1° | 179.9° |
| C29 | C28 | C37 | H21 | 177.4° | 179.7° |
| C24 | C25 | C43 | C21 | 0.9° | 0.6° |
| C24 | C25 | C43 | C26 | 176.7° | 179.7° |
| C24 | C25 | C26 | C27 | 52.5° | 139.0° |
| C24 | C25 | C26 | N42 | 127.4° | 40.6° |
| C25 | C24 | C23 | H14 | 179.1° | 180.0° |
| C24 | C25 | C43 | H25 | 179.1° | 179.7° |
| C34 | C35 | H18 | H19 | 120.0° | 120.0° |
| C34 | C35 | H18 | H20 | 120.0° | 120.1° |
| C34 | C35 | H19 | H20 | 120.0° | 120.1° |
| C35 | C34 | N33 | H27 | 169.9° | 4.6° |
| C37 | C28 | C27 | C26 | 156.8° | 133.5° |
| C37 | C28 | C27 | N38 | 25.4° | 46.5° |
| C37 | C28 | C29 | H16 | 179.2° | 179.8° |
| C28 | C27 | C26 | C25 | 1.7° | 0.1° |
| C28 | C27 | C26 | N38 | 178.1° | 180.0° |
| C28 | C27 | C26 | N42 | 178.5° | 179.7° |
| C28 | C27 | N38 | C39 | 178.1° | 180.0° |
| C27 | C28 | C29 | H16 | 3.5° | 0.1° |
| C27 | C28 | C37 | H21 | 5.4° | 0.0° |
| C28 | C27 | N38 | H28 | 1.9° | 0.0° |
| C03 | C02 | N20 | C21 | 176.1° | 175.1° |
| C02 | C03 | C19 | C04 | 179.2° | 179.7° |
| C02 | C03 | C19 | C18 | 178.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.2° |
| C02 | C03 | C04 | C16 | 179.9° | 179.7° |
| C02 | C03 | C19 | H4 | 1.3° | 0.3° |
| C03 | C02 | N20 | H26 | 3.9° | 4.9° |
| C02 | N20 | C21 | H26 | 180.0° | 180.0° |
| C02 | N20 | C21 | C43 | 155.3° | 148.7° |
| N20 | C02 | C03 | C19 | 109.0° | 5.6° |
| N20 | C02 | C03 | C04 | 70.2° | 174.7° |
| N20 | C21 | C43 | C25 | 178.2° | 179.7° |
| N20 | C21 | C22 | H6 | 2.2° | 0.1° |
| N20 | C21 | C43 | H25 | 1.8° | 0.0° |
| C21 | C43 | C25 | H25 | 180.0° | 179.8° |
| C21 | C43 | C25 | C26 | 175.7° | 179.8° |
| C43 | C21 | C22 | H6 | 176.6° | 179.8° |
| C43 | C21 | N20 | H26 | 24.7° | 31.3° |
| C03 | C19 | C18 | H4 | 180.0° | 179.8° |
| C03 | C19 | C18 | C17 | 1.3° | 0.3° |
| C19 | C03 | C04 | C05 | 179.7° | 179.9° |
| C19 | C03 | C04 | C16 | 0.9° | 0.0° |
| C03 | C19 | C18 | H5 | 178.7° | 179.7° |
| C18 | C19 | C03 | C04 | 0.5° | 0.3° |
| C19 | C18 | C17 | H5 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.0° |
| C19 | C18 | C17 | H3 | 179.5° | 180.0° |
| C43 | C25 | C26 | C27 | 131.1° | 41.3° |
| C43 | C25 | C26 | N42 | 49.1° | 139.1° |
| C43 | C25 | C24 | H15 | 178.9° | 179.7° |
| C25 | C26 | C27 | N42 | 179.8° | 179.7° |
| C25 | C26 | C27 | N38 | 179.8° | 180.0° |
| C25 | C26 | N42 | C39 | 179.5° | 179.8° |
| C26 | C25 | C24 | H15 | 2.7° | 0.1° |
| C26 | C25 | C43 | H25 | 4.3° | 0.0° |
| C10 | C09 | C08 | H11 | 180.0° | 179.5° |
| C10 | C09 | C08 | C07 | 179.1° | 179.9° |
| C09 | C10 | C11 | H12 | 180.0° | 180.0° |
| C10 | C09 | C08 | C13 | 1.4° | 0.8° |
| C09 | C10 | C11 | C12 | 1.0° | 0.0° |
| C09 | C10 | C11 | H1 | 179.0° | 179.7° |
| C09 | C08 | C07 | C13 | 179.5° | 179.3° |
| C09 | C08 | C07 | N06 | 179.9° | 179.3° |
| C08 | C09 | C10 | C11 | 0.6° | 0.5° |
| C09 | C08 | C13 | C14 | 179.4° | 179.4° |
| C09 | C08 | C13 | C12 | 0.7° | 0.6° |
| C09 | C08 | C07 | H9 | 60.7° | 61.5° |
| C09 | C08 | C07 | H10 | 60.4° | 60.1° |
| C08 | C09 | C10 | H12 | 179.3° | 179.4° |
| C03 | C04 | C05 | C16 | 179.3° | 179.9° |
| C03 | C04 | C05 | N06 | 133.1° | 175.1° |
| C03 | C04 | C16 | C17 | 1.8° | 0.3° |
| C03 | C04 | C16 | H2 | 178.2° | 180.0° |
| C04 | C03 | C19 | H4 | 179.5° | 180.0° |
| C03 | C04 | C05 | H7 | 13.4° | 64.9° |
| C03 | C04 | C05 | H8 | 107.2° | 55.1° |
| C08 | C07 | N06 | H9 | 119.4° | 119.2° |
| C08 | C07 | N06 | H10 | 119.4° | 119.3° |
| C08 | C07 | N06 | C05 | 179.4° | 180.0° |
| C08 | C07 | N06 | C14 | 1.3° | 0.0° |
| C07 | C08 | C13 | C14 | 0.1° | 0.0° |
| C07 | C08 | C13 | C12 | 179.8° | 180.0° |
| C08 | C07 | H9 | H10 | 121.6° | 121.6° |
| C07 | C08 | C09 | H11 | 0.9° | 0.4° |
| N06 | C07 | C08 | C13 | 0.7° | 0.0° |
| C07 | N06 | C05 | C04 | 45.9° | 94.7° |
| C07 | N06 | C05 | C14 | 177.9° | 180.0° |
| C07 | N06 | C14 | C13 | 1.3° | 0.0° |
| C07 | N06 | C14 | O15 | 180.0° | 180.0° |
| C07 | N06 | C05 | H7 | 73.8° | 25.4° |
| C07 | N06 | C05 | H8 | 165.7° | 145.3° |
| N06 | C07 | H9 | H10 | 121.6° | 121.6° |
| C18 | C17 | C16 | C04 | 1.0° | 0.3° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C18 | C17 | C16 | H2 | 179.0° | 179.9° |
| C17 | C18 | C19 | H4 | 178.8° | 180.0° |
| C26 | C27 | N38 | C39 | 0.1° | 0.0° |
| C27 | C26 | N42 | C39 | 0.6° | 0.5° |
| C26 | C27 | N38 | H28 | 179.9° | 179.9° |
| N38 | C27 | C26 | N42 | 0.3° | 0.3° |
| C27 | N38 | C39 | H28 | 180.0° | 179.9° |
| C27 | N38 | C39 | N42 | 0.5° | 0.3° |
| C27 | N38 | C39 | S40 | 177.8° | 180.0° |
| C10 | C11 | C12 | C13 | 1.7° | 0.3° |
| C10 | C11 | C12 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | H11 | 179.4° | 180.0° |
| C10 | C11 | C12 | H13 | 178.3° | 179.7° |
| C08 | C13 | C14 | N06 | 0.9° | 0.0° |
| C08 | C13 | C14 | C12 | 179.9° | 180.0° |
| C08 | C13 | C12 | C11 | 0.9° | 0.0° |
| C08 | C13 | C14 | O15 | 179.5° | 180.0° |
| C13 | C08 | C07 | H9 | 118.8° | 119.2° |
| C13 | C08 | C07 | H10 | 120.1° | 119.2° |
| C13 | C08 | C09 | H11 | 178.5° | 179.7° |
| C08 | C13 | C12 | H13 | 179.1° | 180.0° |
| C26 | N42 | C39 | N38 | 0.7° | 0.5° |
| C26 | N42 | C39 | S40 | 177.8° | 179.8° |
| C04 | C05 | N06 | H7 | 119.7° | 120.1° |
| C04 | C05 | N06 | H8 | 119.8° | 120.0° |
| C04 | C05 | N06 | C14 | 136.2° | 85.3° |
| C05 | C04 | C16 | C17 | 178.9° | 179.8° |
| C05 | C04 | C16 | H2 | 1.1° | 0.0° |
| C04 | C05 | H7 | H8 | 120.8° | 120.0° |
| C16 | C04 | C05 | N06 | 46.2° | 5.0° |
| C04 | C16 | C17 | H2 | 180.0° | 179.8° |
| C04 | C16 | C17 | H3 | 179.0° | 179.8° |
| C16 | C04 | C05 | H7 | 166.0° | 115.1° |
| C16 | C04 | C05 | H8 | 73.5° | 125.0° |
| C05 | N06 | C14 | C13 | 179.5° | 180.0° |
| C05 | N06 | C14 | O15 | 1.8° | 0.0° |
| N06 | C05 | H7 | H8 | 120.7° | 120.0° |
| C05 | N06 | C07 | H9 | 59.9° | 60.8° |
| C05 | N06 | C07 | H10 | 61.2° | 60.7° |
| N06 | C14 | C13 | O15 | 178.7° | 180.0° |
| N06 | C14 | C13 | C12 | 179.0° | 180.0° |
| C14 | N06 | C05 | H7 | 104.1° | 154.7° |
| C14 | N06 | C05 | H8 | 16.4° | 34.7° |
| C14 | N06 | C07 | H9 | 118.2° | 119.2° |
| C14 | N06 | C07 | H10 | 120.7° | 119.2° |
| C16 | C17 | C18 | H5 | 179.5° | 180.0° |
| N38 | C39 | N42 | S40 | 178.4° | 179.7° |
| N38 | C39 | S40 | C41 | 4.5° | 180.0° |
| C14 | C13 | C12 | C11 | 179.0° | 180.0° |
| C14 | C13 | C12 | H13 | 1.0° | 0.0° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | O15 | 0.3° | 0.0° |
| C13 | C12 | C11 | H1 | 178.3° | 180.0° |
| C12 | C11 | C10 | H12 | 179.1° | 180.0° |
| N42 | C39 | S40 | C41 | 173.5° | 0.4° |
| N42 | C39 | N38 | H28 | 179.5° | 179.8° |
| C39 | S40 | C41 | H22 | 180.0° | 180.0° |
| C39 | S40 | C41 | H23 | 60.0° | 60.0° |
| C39 | S40 | C41 | H24 | 60.0° | 60.0° |
| S40 | C39 | N38 | H28 | 2.2° | 0.1° |
| S40 | C41 | H22 | H23 | 120.0° | 120.0° |
| S40 | C41 | H22 | H24 | 120.0° | 120.0° |
| S40 | C41 | H23 | H24 | 120.0° | 120.0° |
| H1 | C11 | C10 | H12 | 1.0° | 0.3° |
| H1 | C11 | C12 | H13 | 1.7° | 0.0° |
| H2 | C16 | C17 | H3 | 1.0° | 0.0° |
| H3 | C17 | C18 | H5 | 0.5° | 0.0° |
| H4 | C19 | C18 | H5 | 1.2° | 0.0° |
| H6 | C22 | C23 | H14 | 1.4° | 0.0° |
| H11 | C09 | C10 | H12 | 0.7° | 0.1° |
| H14 | C23 | C24 | H15 | 0.9° | 0.0° |
| H16 | C29 | C30 | H17 | 1.9° | 0.1° |
| H18 | C35 | H19 | H20 | 120.0° | 119.9° |
| H22 | C41 | H23 | H24 | 120.0° | 120.0° |
