YAA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | S37 | sing | 1.81Å | 1.82Å | |
| S37 | C36 | sing | 1.76Å | 1.81Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| N25 | C24 | sing | 1.39Å | 1.46Å | |
| N25 | C27 | sing | 1.40Å | 1.46Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | doub | 1.40Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.47Å | 1.55Å | |
| O26 | C18 | doub | 1.22Å | 1.18Å | |
| C18 | N17 | sing | 1.32Å | 1.46Å | |
| C36 | N35 | sing | 1.36Å | 1.33Å | Aromatic |
| C36 | N39 | doub | 1.31Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| N17 | C16 | sing | 1.39Å | 1.47Å | |
| N35 | C09 | sing | 1.38Å | 1.32Å | Aromatic |
| N39 | C08 | sing | 1.35Å | 1.31Å | Aromatic |
| C16 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.53Å | |
| C08 | C07 | sing | 1.48Å | 1.51Å | |
| C15 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.47Å | 1.53Å | |
| C11 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.44Å | |
| N13 | C12 | sing | 1.40Å | 1.45Å | |
| C10 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | O31 | doub | 1.22Å | 1.19Å | |
| O01 | C02 | doub | 1.21Å | 1.17Å | |
| C12 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C40 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | N04 | sing | 1.35Å | 1.45Å | |
| C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | N04 | sing | 1.39Å | 1.45Å | |
| C05 | N42 | doub | 1.32Å | 1.32Å | Aromatic |
| C41 | N42 | sing | 1.32Å | 1.31Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.08Å | 1.08Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.08Å | 1.08Å | |
| C41 | H20 | sing | 1.08Å | 1.08Å | |
| N04 | H21 | sing | 0.97Å | 1.00Å | |
| N13 | H22 | sing | 0.97Å | 1.00Å | |
| N17 | H23 | sing | 0.97Å | 1.00Å | |
| N25 | H24 | sing | 0.97Å | 1.00Å | |
| N35 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | S37 | C36 | 107.1° | 100.0° |
| S37 | C38 | H16 | 109.5° | 109.5° |
| S37 | C38 | H17 | 109.5° | 109.5° |
| S37 | C38 | H18 | 109.5° | 109.5° |
| S37 | C36 | N35 | 124.4° | 125.4° |
| S37 | C36 | N39 | 127.3° | 125.4° |
| C22 | C23 | C24 | 118.8° | 120.0° |
| C23 | C22 | C21 | 120.8° | 120.3° |
| C23 | C22 | H8 | 119.6° | 119.8° |
| C22 | C23 | H9 | 120.6° | 120.0° |
| C23 | C24 | N25 | 118.8° | 120.0° |
| C23 | C24 | C19 | 121.0° | 119.9° |
| C24 | C23 | H9 | 120.6° | 120.0° |
| C22 | C21 | C20 | 119.9° | 120.4° |
| C22 | C21 | H7 | 120.0° | 119.8° |
| C21 | C22 | H8 | 119.6° | 119.9° |
| C24 | N25 | C27 | 125.7° | 119.2° |
| N25 | C24 | C19 | 120.1° | 120.1° |
| C24 | N25 | H24 | 117.1° | 120.4° |
| N25 | C27 | C28 | 118.3° | 119.2° |
| N25 | C27 | C16 | 121.0° | 120.6° |
| C27 | N25 | H24 | 117.1° | 120.4° |
| C21 | C20 | C19 | 119.7° | 120.0° |
| C21 | C20 | H6 | 120.1° | 120.0° |
| C20 | C21 | H7 | 120.1° | 119.8° |
| C24 | C19 | C20 | 119.7° | 119.3° |
| C24 | C19 | C18 | 121.1° | 120.8° |
| C20 | C19 | C18 | 119.1° | 119.9° |
| C19 | C20 | H6 | 120.1° | 120.0° |
| C19 | C18 | O26 | 117.4° | 117.1° |
| C19 | C18 | N17 | 125.3° | 125.7° |
| O26 | C18 | N17 | 117.2° | 117.2° |
| C18 | N17 | C16 | 130.3° | 127.2° |
| C18 | N17 | H23 | 114.9° | 116.4° |
| N35 | C36 | N39 | 108.3° | 109.2° |
| C36 | N35 | C09 | 108.7° | 107.2° |
| C36 | N35 | H25 | 125.6° | 126.3° |
| C36 | N39 | C08 | 107.9° | 109.6° |
| C28 | C27 | C16 | 120.7° | 120.2° |
| C27 | C28 | C29 | 118.6° | 120.5° |
| C27 | C28 | H10 | 120.7° | 119.8° |
| C27 | C16 | N17 | 120.3° | 121.8° |
| C27 | C16 | C15 | 120.3° | 119.1° |
| C28 | C29 | C30 | 120.8° | 120.1° |
| C29 | C28 | H10 | 120.7° | 119.7° |
| C28 | C29 | H11 | 119.6° | 120.0° |
| N17 | C16 | C15 | 119.3° | 119.0° |
| C16 | N17 | H23 | 114.9° | 116.4° |
| N35 | C09 | C08 | 106.8° | 106.3° |
| N35 | C09 | C10 | 119.6° | 126.8° |
| C09 | N35 | H25 | 125.7° | 126.4° |
| N39 | C08 | C09 | 108.3° | 107.7° |
| N39 | C08 | C07 | 121.6° | 126.2° |
| C16 | C15 | C30 | 118.9° | 120.0° |
| C16 | C15 | C14 | 123.4° | 120.0° |
| C29 | C30 | C15 | 120.6° | 120.1° |
| C30 | C29 | H11 | 119.6° | 119.9° |
| C29 | C30 | H12 | 119.7° | 120.0° |
| C08 | C09 | C10 | 133.7° | 126.8° |
| C09 | C08 | C07 | 130.0° | 126.2° |
| C09 | C10 | C11 | 113.6° | 120.1° |
| C09 | C10 | C34 | 127.3° | 120.1° |
| C08 | C07 | C06 | 121.7° | 120.9° |
| C08 | C07 | C40 | 118.9° | 120.9° |
| C30 | C15 | C14 | 117.7° | 120.1° |
| C15 | C30 | H12 | 119.6° | 120.0° |
| C15 | C14 | N13 | 115.9° | 120.0° |
| C15 | C14 | O31 | 122.9° | 120.0° |
| C10 | C11 | C12 | 121.6° | 119.8° |
| C11 | C10 | C34 | 119.0° | 119.8° |
| C10 | C11 | H1 | 119.2° | 120.1° |
| C11 | C12 | N13 | 113.3° | 120.0° |
| C11 | C12 | C32 | 120.6° | 120.0° |
| C12 | C11 | H1 | 119.2° | 120.1° |
| C14 | N13 | C12 | 128.0° | 120.0° |
| N13 | C14 | O31 | 121.1° | 120.0° |
| C14 | N13 | H22 | 116.0° | 119.9° |
| N13 | C12 | C32 | 125.8° | 120.0° |
| C12 | N13 | H22 | 116.0° | 120.0° |
| C10 | C34 | C33 | 120.1° | 120.0° |
| C10 | C34 | H15 | 119.9° | 120.0° |
| O01 | C02 | C03 | 120.6° | 120.0° |
| O01 | C02 | N04 | 120.5° | 120.0° |
| C12 | C32 | C33 | 118.3° | 120.2° |
| C12 | C32 | H13 | 120.9° | 119.8° |
| C06 | C07 | C40 | 119.1° | 118.2° |
| C07 | C06 | C05 | 116.9° | 118.9° |
| C07 | C06 | H5 | 121.5° | 120.5° |
| C07 | C40 | C41 | 120.0° | 119.2° |
| C07 | C40 | H19 | 120.0° | 120.4° |
| C06 | C05 | N04 | 123.2° | 119.6° |
| C06 | C05 | N42 | 122.4° | 120.7° |
| C05 | C06 | H5 | 121.5° | 120.5° |
| C03 | C02 | N04 | 118.9° | 120.0° |
| C02 | C03 | H2 | 109.5° | 109.5° |
| C02 | C03 | H3 | 109.5° | 109.5° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | N04 | C05 | 125.0° | 120.0° |
| C02 | N04 | H21 | 117.5° | 120.0° |
| C34 | C33 | C32 | 120.4° | 120.2° |
| C34 | C33 | H14 | 119.8° | 119.9° |
| C33 | C34 | H15 | 120.0° | 120.1° |
| C40 | C41 | N42 | 120.1° | 121.0° |
| C41 | C40 | H19 | 120.0° | 120.4° |
| C40 | C41 | H20 | 120.0° | 119.5° |
| C33 | C32 | H13 | 120.9° | 119.9° |
| C32 | C33 | H14 | 119.8° | 119.9° |
| N04 | C05 | N42 | 114.4° | 119.6° |
| C05 | N04 | H21 | 117.5° | 120.0° |
| C05 | N42 | C41 | 121.3° | 122.0° |
| N42 | C41 | H20 | 119.9° | 119.5° |
| H2 | C03 | H3 | 109.5° | 109.4° |
| H2 | C03 | H4 | 109.4° | 109.5° |
| H3 | C03 | H4 | 109.4° | 109.5° |
| H16 | C38 | H17 | 109.5° | 109.4° |
| H16 | C38 | H18 | 109.4° | 109.5° |
| H17 | C38 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | S37 | C36 | N35 | 54.4° | 180.0° |
| C38 | S37 | C36 | N39 | 125.5° | 0.2° |
| S37 | C38 | H16 | H17 | 120.0° | 120.0° |
| S37 | C38 | H16 | H18 | 120.0° | 120.0° |
| S37 | C38 | H17 | H18 | 120.0° | 120.0° |
| S37 | C36 | N35 | N39 | 179.9° | 179.8° |
| S37 | C36 | N35 | C09 | 179.0° | 180.0° |
| S37 | C36 | N39 | C08 | 178.6° | 179.8° |
| C36 | S37 | C38 | H16 | 180.0° | 60.0° |
| C36 | S37 | C38 | H17 | 60.0° | 60.0° |
| C36 | S37 | C38 | H18 | 60.0° | 180.0° |
| S37 | C36 | N35 | H25 | 1.0° | 0.2° |
| C22 | C23 | C24 | H9 | 180.0° | 179.9° |
| C23 | C22 | C21 | H8 | 180.0° | 180.0° |
| C22 | C23 | C24 | N25 | 179.9° | 176.4° |
| C23 | C22 | C21 | C20 | 0.2° | 0.9° |
| C22 | C23 | C24 | C19 | 0.7° | 1.8° |
| C23 | C22 | C21 | H7 | 179.8° | 179.1° |
| C24 | C23 | C22 | C21 | 0.2° | 0.1° |
| C23 | C24 | N25 | C19 | 179.4° | 178.1° |
| C23 | C24 | N25 | C27 | 119.1° | 118.3° |
| C23 | C24 | C19 | C20 | 0.8° | 2.5° |
| C23 | C24 | C19 | C18 | 178.5° | 177.2° |
| C24 | C23 | C22 | H8 | 179.8° | 180.0° |
| C23 | C24 | N25 | H24 | 60.9° | 61.8° |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.2° |
| C22 | C21 | C20 | H6 | 179.9° | 179.9° |
| C21 | C22 | C23 | H9 | 179.8° | 179.9° |
| C24 | N25 | C27 | H24 | 180.0° | 179.9° |
| N25 | C24 | C19 | C20 | 179.8° | 175.7° |
| N25 | C24 | C19 | C18 | 2.1° | 4.7° |
| C24 | N25 | C27 | C28 | 118.1° | 117.6° |
| C24 | N25 | C27 | C16 | 61.1° | 60.5° |
| N25 | C24 | C23 | H9 | 0.1° | 3.7° |
| C27 | N25 | C24 | C19 | 60.3° | 59.8° |
| N25 | C27 | C28 | C16 | 179.1° | 178.2° |
| N25 | C27 | C28 | C29 | 179.6° | 176.9° |
| N25 | C27 | C16 | N17 | 1.3° | 5.7° |
| N25 | C27 | C16 | C15 | 179.4° | 176.2° |
| N25 | C27 | C28 | H10 | 0.4° | 3.1° |
| C21 | C20 | C19 | C24 | 0.3° | 1.5° |
| C21 | C20 | C19 | H6 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 178.1° | 178.2° |
| C20 | C21 | C22 | H8 | 179.8° | 179.0° |
| C24 | C19 | C20 | C18 | 177.8° | 179.7° |
| C24 | C19 | C18 | O26 | 147.0° | 140.9° |
| C24 | C19 | C18 | N17 | 32.6° | 39.1° |
| C24 | C19 | C20 | H6 | 179.7° | 178.5° |
| C19 | C24 | C23 | H9 | 179.3° | 178.2° |
| C19 | C24 | N25 | H24 | 119.7° | 120.1° |
| C20 | C19 | C18 | O26 | 30.8° | 38.8° |
| C20 | C19 | C18 | N17 | 149.6° | 141.2° |
| C19 | C20 | C21 | H7 | 179.9° | 179.8° |
| C19 | C18 | O26 | N17 | 179.6° | 180.0° |
| C19 | C18 | N17 | C16 | 0.2° | 1.1° |
| C18 | C19 | C20 | H6 | 1.9° | 1.9° |
| C19 | C18 | N17 | H23 | 179.8° | 179.0° |
| O26 | C18 | N17 | C16 | 179.8° | 179.0° |
| O26 | C18 | N17 | H23 | 0.2° | 1.0° |
| C18 | N17 | C16 | C27 | 32.2° | 40.8° |
| C18 | N17 | C16 | H23 | 180.0° | 180.0° |
| C18 | N17 | C16 | C15 | 148.5° | 141.1° |
| C36 | N35 | C09 | H25 | 180.0° | 179.7° |
| N35 | C36 | N39 | C08 | 1.5° | 0.4° |
| C36 | N35 | C09 | C08 | 0.3° | 0.0° |
| C36 | N35 | C09 | C10 | 179.4° | 180.0° |
| N39 | C36 | N35 | C09 | 1.1° | 0.2° |
| C36 | N39 | C08 | C09 | 1.3° | 0.4° |
| C36 | N39 | C08 | C07 | 177.2° | 179.9° |
| N39 | C36 | N35 | H25 | 179.0° | 180.0° |
| C27 | C28 | C29 | H10 | 180.0° | 180.0° |
| C28 | C27 | C16 | N17 | 179.6° | 176.1° |
| C28 | C27 | C16 | C15 | 0.4° | 1.9° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C27 | C28 | C29 | H11 | 180.0° | 180.0° |
| C28 | C27 | N25 | H24 | 62.0° | 62.4° |
| C16 | C27 | C28 | C29 | 0.5° | 1.3° |
| C27 | C16 | N17 | C15 | 179.3° | 178.1° |
| C27 | C16 | C15 | C30 | 0.3° | 1.3° |
| C27 | C16 | C15 | C14 | 178.6° | 179.0° |
| C16 | C27 | C28 | H10 | 179.5° | 178.7° |
| C27 | C16 | N17 | H23 | 147.8° | 139.3° |
| C16 | C27 | N25 | H24 | 118.9° | 119.4° |
| C28 | C29 | C30 | H11 | 180.0° | 179.9° |
| C28 | C29 | C30 | C15 | 0.6° | 0.7° |
| C28 | C29 | C30 | H12 | 179.4° | 179.6° |
| N17 | C16 | C15 | C30 | 179.0° | 176.9° |
| N17 | C16 | C15 | C14 | 0.7° | 2.9° |
| N35 | C09 | C08 | N39 | 0.7° | 0.2° |
| N35 | C09 | C08 | C10 | 179.0° | 180.0° |
| N35 | C09 | C08 | C07 | 176.1° | 180.0° |
| N35 | C09 | C10 | C11 | 44.4° | 47.5° |
| N35 | C09 | C10 | C34 | 132.8° | 132.2° |
| N39 | C08 | C09 | C07 | 175.4° | 179.8° |
| N39 | C08 | C09 | C10 | 178.3° | 179.8° |
| N39 | C08 | C07 | C06 | 28.3° | 36.5° |
| N39 | C08 | C07 | C40 | 146.5° | 143.5° |
| C16 | C15 | C30 | C29 | 0.8° | 0.0° |
| C16 | C15 | C30 | C14 | 178.4° | 179.7° |
| C16 | C15 | C14 | N13 | 84.2° | 179.7° |
| C16 | C15 | C14 | O31 | 97.9° | 0.3° |
| C16 | C15 | C30 | H12 | 179.2° | 179.8° |
| C15 | C16 | N17 | H23 | 31.5° | 38.8° |
| C29 | C30 | C15 | H12 | 180.0° | 179.7° |
| C29 | C30 | C15 | C14 | 179.2° | 179.7° |
| C30 | C29 | C28 | H10 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 134.5° | 132.5° |
| C08 | C09 | C10 | C34 | 48.3° | 47.8° |
| C09 | C08 | C07 | C06 | 156.8° | 143.3° |
| C09 | C08 | C07 | C40 | 28.3° | 36.8° |
| C08 | C09 | N35 | H25 | 179.8° | 179.7° |
| C10 | C09 | C08 | C07 | 2.9° | 0.0° |
| C09 | C10 | C11 | C34 | 177.4° | 179.7° |
| C09 | C10 | C11 | C12 | 177.4° | 179.7° |
| C09 | C10 | C34 | C33 | 179.4° | 179.7° |
| C09 | C10 | C11 | H1 | 2.6° | 0.3° |
| C09 | C10 | C34 | H15 | 0.6° | 0.3° |
| C10 | C09 | N35 | H25 | 0.6° | 0.3° |
| C08 | C07 | C06 | C40 | 174.8° | 180.0° |
| C08 | C07 | C06 | C05 | 177.2° | 180.0° |
| C08 | C07 | C40 | C41 | 177.8° | 180.0° |
| C08 | C07 | C06 | H5 | 2.8° | 0.1° |
| C08 | C07 | C40 | H19 | 2.1° | 0.0° |
| C30 | C15 | C14 | N13 | 94.2° | 0.0° |
| C30 | C15 | C14 | O31 | 83.7° | 180.0° |
| C15 | C30 | C29 | H11 | 179.4° | 179.4° |
| C15 | C14 | N13 | O31 | 177.9° | 180.0° |
| C15 | C14 | N13 | C12 | 176.2° | 174.8° |
| C14 | C15 | C30 | H12 | 0.8° | 0.0° |
| C15 | C14 | N13 | H22 | 3.8° | 5.2° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 177.3° | 180.0° |
| C10 | C11 | C12 | C32 | 2.9° | 0.0° |
| C11 | C10 | C34 | C33 | 2.4° | 0.0° |
| C11 | C10 | C34 | H15 | 177.6° | 180.0° |
| C11 | C12 | N13 | C14 | 179.3° | 34.4° |
| C11 | C12 | N13 | C32 | 174.0° | 179.9° |
| C12 | C11 | C10 | C34 | 0.0° | 0.0° |
| C11 | C12 | C32 | C33 | 3.3° | 0.0° |
| C11 | C12 | C32 | H13 | 176.7° | 180.0° |
| C11 | C12 | N13 | H22 | 0.7° | 145.6° |
| C14 | N13 | C12 | H22 | 180.0° | 180.0° |
| C14 | N13 | C12 | C32 | 6.7° | 145.5° |
| C12 | N13 | C14 | O31 | 1.7° | 5.2° |
| N13 | C12 | C32 | C33 | 176.9° | 180.0° |
| N13 | C12 | C11 | H1 | 2.7° | 0.1° |
| N13 | C12 | C32 | H13 | 3.1° | 0.1° |
| C10 | C34 | C33 | H15 | 180.0° | 180.0° |
| C10 | C34 | C33 | C32 | 1.9° | 0.0° |
| C34 | C10 | C11 | H1 | 180.0° | 180.0° |
| C10 | C34 | C33 | H14 | 178.0° | 180.0° |
| O31 | C14 | N13 | H22 | 178.3° | 174.8° |
| O01 | C02 | C03 | N04 | 179.2° | 179.9° |
| O01 | C02 | N04 | C05 | 1.5° | 5.1° |
| O01 | C02 | C03 | H2 | 0.0° | 89.9° |
| O01 | C02 | C03 | H3 | 120.0° | 30.0° |
| O01 | C02 | C03 | H4 | 120.0° | 150.0° |
| O01 | C02 | N04 | H21 | 178.5° | 174.9° |
| C12 | C32 | C33 | C34 | 0.9° | 0.0° |
| C12 | C32 | C33 | H13 | 180.0° | 179.9° |
| C32 | C12 | C11 | H1 | 177.1° | 180.0° |
| C12 | C32 | C33 | H14 | 179.1° | 179.9° |
| C32 | C12 | N13 | H22 | 173.4° | 34.4° |
| C07 | C06 | C05 | H5 | 180.0° | 179.9° |
| C06 | C07 | C40 | C41 | 2.8° | 0.1° |
| C07 | C06 | C05 | N04 | 178.1° | 179.9° |
| C07 | C06 | C05 | N42 | 0.7° | 0.2° |
| C06 | C07 | C40 | H19 | 177.1° | 180.0° |
| C40 | C07 | C06 | C05 | 2.4° | 0.1° |
| C07 | C40 | C41 | H19 | 180.0° | 179.9° |
| C07 | C40 | C41 | N42 | 1.6° | 0.2° |
| C40 | C07 | C06 | H5 | 177.6° | 179.9° |
| C07 | C40 | C41 | H20 | 178.4° | 180.0° |
| C06 | C05 | N04 | C02 | 6.0° | 174.7° |
| C06 | C05 | N04 | N42 | 178.9° | 179.7° |
| C06 | C05 | N42 | C41 | 0.6° | 0.5° |
| C06 | C05 | N04 | H21 | 174.0° | 5.3° |
| C03 | C02 | N04 | C05 | 177.8° | 174.8° |
| C02 | C03 | H2 | H3 | 120.0° | 120.0° |
| C02 | C03 | H2 | H4 | 120.0° | 120.0° |
| C02 | C03 | H3 | H4 | 120.0° | 120.0° |
| C03 | C02 | N04 | H21 | 2.2° | 5.2° |
| C02 | N04 | C05 | H21 | 180.0° | 180.0° |
| C02 | N04 | C05 | N42 | 172.9° | 5.6° |
| N04 | C02 | C03 | H2 | 179.3° | 90.0° |
| N04 | C02 | C03 | H3 | 59.2° | 150.1° |
| N04 | C02 | C03 | H4 | 60.7° | 30.1° |
| C34 | C33 | C32 | H14 | 180.0° | 180.0° |
| C34 | C33 | C32 | H13 | 179.1° | 179.9° |
| C40 | C41 | N42 | C05 | 0.1° | 0.5° |
| C40 | C41 | N42 | H20 | 180.0° | 179.8° |
| C32 | C33 | C34 | H15 | 178.0° | 180.0° |
| N04 | C05 | N42 | C41 | 179.5° | 179.8° |
| N04 | C05 | C06 | H5 | 2.0° | 0.1° |
| N42 | C05 | C06 | H5 | 179.2° | 179.7° |
| C05 | N42 | C41 | H20 | 179.9° | 179.7° |
| N42 | C05 | N04 | H21 | 7.1° | 174.4° |
| N42 | C41 | C40 | H19 | 178.4° | 179.7° |
| H2 | C03 | H3 | H4 | 120.0° | 120.0° |
| H6 | C20 | C21 | H7 | 0.2° | 0.2° |
| H7 | C21 | C22 | H8 | 0.2° | 1.0° |
| H8 | C22 | C23 | H9 | 0.2° | 0.1° |
| H10 | C28 | C29 | H11 | 0.0° | 0.0° |
| H11 | C29 | C30 | H12 | 0.6° | 0.4° |
| H13 | C32 | C33 | H14 | 0.9° | 0.0° |
| H14 | C33 | C34 | H15 | 2.0° | 0.1° |
| H16 | C38 | H17 | H18 | 120.0° | 120.0° |
| H19 | C40 | C41 | H20 | 1.6° | 0.1° |
