2V1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.22Å | 1.21Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | N20 | sing | 1.47Å | 1.49Å | |
| C24 | O23 | sing | 1.43Å | 1.44Å | |
| C18 | N20 | sing | 1.35Å | 1.37Å | |
| C18 | C14 | sing | 1.47Å | 1.50Å | |
| N20 | C21 | sing | 1.47Å | 1.49Å | |
| O23 | C22 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| O43 | S40 | doub | 1.42Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| O42 | S40 | doub | 1.42Å | 1.42Å | |
| S40 | C37 | sing | 1.76Å | 1.78Å | |
| S40 | C41 | sing | 1.81Å | 1.82Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N10 | sing | 1.39Å | 1.40Å | |
| C35 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| N10 | C1 | sing | 1.39Å | 1.40Å | |
| O34 | C32 | doub | 1.22Å | 1.22Å | |
| C33 | C39 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.48Å | 1.48Å | |
| C38 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | N31 | sing | 1.35Å | 1.36Å | |
| C1 | N2 | doub | 1.32Å | 1.32Å | Aromatic |
| C1 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| N2 | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| N9 | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | N6 | sing | 1.37Å | 1.39Å | Aromatic |
| N31 | C27 | sing | 1.40Å | 1.41Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.35Å | 1.36Å | Aromatic |
| C3 | C17 | sing | 1.48Å | 1.49Å | |
| C3 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N6 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| N10 | H4 | sing | 0.97Å | 1.00Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| N31 | H21 | sing | 0.97Å | 1.00Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.08Å | 1.08Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | N20 | 117.5° | 119.9° |
| O19 | C18 | C14 | 117.9° | 120.0° |
| C24 | C25 | N20 | 109.1° | 108.6° |
| C25 | C24 | O23 | 110.2° | 109.3° |
| C25 | C24 | H13 | 109.3° | 109.6° |
| C25 | C24 | H14 | 109.3° | 109.5° |
| C24 | C25 | H15 | 109.6° | 109.7° |
| C24 | C25 | H16 | 109.6° | 109.7° |
| C25 | N20 | C18 | 120.5° | 121.0° |
| C25 | N20 | C21 | 116.0° | 118.0° |
| N20 | C25 | H15 | 109.5° | 109.7° |
| N20 | C25 | H16 | 109.5° | 109.3° |
| C24 | O23 | C22 | 116.8° | 114.1° |
| O23 | C24 | H13 | 109.3° | 109.5° |
| O23 | C24 | H14 | 109.3° | 109.5° |
| N20 | C18 | C14 | 124.5° | 120.0° |
| C18 | N20 | C21 | 123.5° | 121.0° |
| C18 | C14 | C13 | 120.1° | 120.1° |
| C18 | C14 | C15 | 121.6° | 120.1° |
| N20 | C21 | C22 | 109.1° | 108.4° |
| N20 | C21 | H9 | 109.6° | 109.6° |
| N20 | C21 | H10 | 109.6° | 109.7° |
| O23 | C22 | C21 | 109.3° | 109.2° |
| O23 | C22 | H11 | 109.5° | 109.5° |
| O23 | C22 | H12 | 109.5° | 109.6° |
| C14 | C13 | C12 | 120.6° | 120.0° |
| C13 | C14 | C15 | 118.3° | 119.8° |
| C14 | C13 | H6 | 119.7° | 120.0° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C13 | C12 | H5 | 119.8° | 120.0° |
| C12 | C13 | H6 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.8° | 119.9° |
| C14 | C15 | H7 | 119.6° | 120.0° |
| O43 | S40 | O42 | 119.8° | 121.0° |
| O43 | S40 | C37 | 104.1° | 104.3° |
| O43 | S40 | C41 | 110.0° | 110.5° |
| C22 | C21 | H9 | 109.5° | 109.7° |
| C22 | C21 | H10 | 109.6° | 109.7° |
| C21 | C22 | H11 | 109.5° | 109.5° |
| C21 | C22 | H12 | 109.5° | 109.5° |
| C12 | C11 | C16 | 119.4° | 120.2° |
| C12 | C11 | N10 | 118.8° | 119.9° |
| C11 | C12 | H5 | 119.7° | 120.0° |
| C15 | C16 | C11 | 120.5° | 120.1° |
| C16 | C15 | H7 | 119.6° | 120.1° |
| C15 | C16 | H8 | 119.8° | 120.0° |
| O42 | S40 | C37 | 103.7° | 104.3° |
| O42 | S40 | C41 | 110.1° | 110.5° |
| C37 | S40 | C41 | 108.1° | 104.4° |
| S40 | C37 | C36 | 119.9° | 119.8° |
| S40 | C37 | C38 | 120.1° | 119.8° |
| S40 | C41 | H26 | 109.5° | 109.4° |
| S40 | C41 | H27 | 109.4° | 109.5° |
| S40 | C41 | H28 | 109.5° | 109.5° |
| C35 | C36 | C37 | 120.1° | 120.1° |
| C36 | C35 | C33 | 119.6° | 119.9° |
| C36 | C35 | H22 | 120.2° | 120.1° |
| C35 | C36 | H23 | 119.9° | 119.9° |
| C36 | C37 | C38 | 120.0° | 120.3° |
| C37 | C36 | H23 | 120.0° | 119.9° |
| C16 | C11 | N10 | 121.7° | 119.9° |
| C11 | C16 | H8 | 119.8° | 120.0° |
| C11 | N10 | C1 | 126.0° | 120.0° |
| C11 | N10 | H4 | 117.0° | 120.0° |
| C35 | C33 | C39 | 120.1° | 119.7° |
| C35 | C33 | C32 | 121.2° | 120.1° |
| C33 | C35 | H22 | 120.2° | 120.1° |
| C37 | C38 | C39 | 120.5° | 120.1° |
| C37 | C38 | H24 | 119.7° | 119.9° |
| N10 | C1 | N2 | 121.3° | 120.1° |
| N10 | C1 | C5 | 119.7° | 120.2° |
| C1 | N10 | H4 | 117.0° | 120.0° |
| O34 | C32 | C33 | 119.5° | 119.9° |
| O34 | C32 | N31 | 123.3° | 120.0° |
| C39 | C33 | C32 | 118.6° | 120.2° |
| C33 | C39 | C38 | 119.7° | 119.9° |
| C33 | C39 | H25 | 120.2° | 120.0° |
| C33 | C32 | N31 | 117.2° | 120.0° |
| C39 | C38 | H24 | 119.8° | 120.0° |
| C38 | C39 | H25 | 120.2° | 120.1° |
| C32 | N31 | C27 | 128.4° | 120.0° |
| C32 | N31 | H21 | 115.8° | 120.0° |
| N2 | C1 | C5 | 119.1° | 119.7° |
| C1 | N2 | C3 | 122.2° | 121.1° |
| C1 | C5 | N9 | 133.5° | 133.0° |
| C1 | C5 | N6 | 119.2° | 118.9° |
| N2 | C3 | C17 | 119.2° | 119.4° |
| N2 | C3 | C4 | 120.5° | 121.1° |
| C5 | N9 | C8 | 109.7° | 109.1° |
| N9 | C5 | N6 | 107.2° | 108.0° |
| N9 | C8 | C7 | 108.8° | 108.6° |
| N9 | C8 | H3 | 125.6° | 125.7° |
| C5 | N6 | C4 | 118.9° | 119.3° |
| C5 | N6 | C7 | 107.4° | 107.1° |
| N31 | C27 | C26 | 122.7° | 120.1° |
| N31 | C27 | C28 | 118.1° | 120.0° |
| C27 | N31 | H21 | 115.8° | 120.0° |
| C27 | C26 | C17 | 120.2° | 119.8° |
| C26 | C27 | C28 | 119.2° | 120.0° |
| C27 | C26 | H17 | 119.9° | 120.1° |
| C26 | C17 | C3 | 120.0° | 120.1° |
| C26 | C17 | C30 | 119.4° | 119.8° |
| C17 | C26 | H17 | 119.9° | 120.1° |
| C8 | C7 | N6 | 106.8° | 107.1° |
| C8 | C7 | H2 | 126.6° | 126.5° |
| C7 | C8 | H3 | 125.6° | 125.7° |
| C17 | C3 | C4 | 120.3° | 119.5° |
| C3 | C17 | C30 | 120.7° | 120.1° |
| C3 | C4 | N6 | 120.1° | 119.8° |
| C3 | C4 | H1 | 120.0° | 120.1° |
| C27 | C28 | C29 | 120.9° | 120.2° |
| C27 | C28 | H18 | 119.6° | 119.9° |
| C4 | N6 | C7 | 133.6° | 133.6° |
| N6 | C4 | H1 | 120.0° | 120.1° |
| N6 | C7 | H2 | 126.6° | 126.4° |
| C17 | C30 | C29 | 120.5° | 120.0° |
| C17 | C30 | H20 | 119.8° | 120.0° |
| C28 | C29 | C30 | 119.8° | 120.2° |
| C29 | C28 | H18 | 119.6° | 119.9° |
| C28 | C29 | H19 | 120.0° | 119.9° |
| C30 | C29 | H19 | 120.1° | 119.8° |
| C29 | C30 | H20 | 119.7° | 120.0° |
| H9 | C21 | H10 | 109.5° | 109.7° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.7° |
| H26 | C41 | H27 | 109.5° | 109.5° |
| H26 | C41 | H28 | 109.4° | 109.5° |
| H27 | C41 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | N20 | C25 | 0.7° | 174.6° |
| O19 | C18 | N20 | C14 | 179.1° | 180.0° |
| O19 | C18 | N20 | C21 | 179.6° | 5.1° |
| O19 | C18 | C14 | C13 | 36.9° | 33.0° |
| O19 | C18 | C14 | C15 | 142.6° | 146.9° |
| C24 | C25 | N20 | H15 | 119.9° | 119.9° |
| C24 | C25 | N20 | H16 | 119.9° | 119.7° |
| C25 | C24 | O23 | H13 | 120.1° | 120.0° |
| C25 | C24 | O23 | H14 | 120.1° | 119.9° |
| C24 | C25 | N20 | C18 | 128.1° | 129.4° |
| C24 | C25 | N20 | C21 | 52.3° | 50.2° |
| C25 | C24 | O23 | C22 | 57.1° | 62.5° |
| C25 | C24 | H13 | H14 | 119.7° | 120.1° |
| C24 | C25 | H15 | H16 | 120.2° | 120.6° |
| N20 | C25 | C24 | O23 | 50.1° | 52.1° |
| C25 | N20 | C18 | C21 | 179.6° | 179.6° |
| C25 | N20 | C18 | C14 | 179.8° | 5.5° |
| C25 | N20 | C21 | C22 | 53.7° | 50.2° |
| C25 | N20 | C21 | H9 | 66.2° | 69.5° |
| C25 | N20 | C21 | H10 | 173.7° | 170.0° |
| N20 | C25 | C24 | H13 | 70.0° | 172.0° |
| N20 | C25 | C24 | H14 | 170.2° | 67.8° |
| N20 | C25 | H15 | H16 | 120.1° | 120.1° |
| C24 | O23 | C22 | C21 | 58.1° | 62.6° |
| C24 | O23 | C22 | H11 | 61.8° | 177.5° |
| C24 | O23 | C22 | H12 | 178.1° | 57.3° |
| O23 | C24 | H13 | H14 | 119.6° | 120.1° |
| O23 | C24 | C25 | H15 | 69.8° | 172.1° |
| O23 | C24 | C25 | H16 | 170.0° | 67.4° |
| N20 | C18 | C14 | C13 | 142.1° | 147.0° |
| N20 | C18 | C14 | C15 | 38.4° | 33.1° |
| C18 | N20 | C21 | C22 | 126.7° | 129.4° |
| C18 | N20 | C21 | H9 | 113.4° | 110.9° |
| C18 | N20 | C21 | H10 | 6.7° | 9.7° |
| C18 | N20 | C25 | H15 | 112.0° | 9.5° |
| C18 | N20 | C25 | H16 | 8.1° | 110.8° |
| C14 | C18 | N20 | C21 | 0.6° | 174.9° |
| C18 | C14 | C13 | C15 | 179.5° | 180.0° |
| C18 | C14 | C13 | C12 | 180.0° | 180.0° |
| C18 | C14 | C15 | C16 | 179.7° | 179.9° |
| C18 | C14 | C13 | H6 | 0.0° | 0.0° |
| C18 | C14 | C15 | H7 | 0.3° | 0.0° |
| N20 | C21 | C22 | O23 | 52.5° | 52.3° |
| N20 | C21 | C22 | H9 | 119.9° | 119.7° |
| N20 | C21 | C22 | H10 | 120.0° | 119.8° |
| N20 | C21 | H9 | H10 | 120.2° | 120.5° |
| N20 | C21 | C22 | H11 | 67.5° | 172.2° |
| N20 | C21 | C22 | H12 | 172.5° | 67.7° |
| C21 | N20 | C25 | H15 | 67.7° | 170.1° |
| C21 | N20 | C25 | H16 | 172.2° | 69.5° |
| O23 | C22 | C21 | H11 | 120.0° | 119.9° |
| O23 | C22 | C21 | H12 | 120.0° | 120.0° |
| O23 | C22 | C21 | H9 | 67.4° | 67.4° |
| O23 | C22 | C21 | H10 | 172.5° | 172.1° |
| O23 | C22 | H11 | H12 | 120.1° | 120.2° |
| C22 | O23 | C24 | H13 | 63.0° | 177.5° |
| C22 | O23 | C24 | H14 | 177.2° | 57.4° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C14 | C13 | C12 | H5 | 179.6° | 180.0° |
| C13 | C14 | C15 | H7 | 179.2° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.9° | 0.0° |
| C13 | C12 | C11 | N10 | 179.9° | 179.8° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.3° | 0.1° |
| C15 | C14 | C13 | H6 | 179.5° | 180.0° |
| C14 | C15 | C16 | H8 | 179.7° | 179.7° |
| O43 | S40 | O42 | C37 | 115.4° | 116.8° |
| O43 | S40 | O42 | C41 | 129.1° | 131.5° |
| O43 | S40 | C37 | C41 | 117.0° | 116.1° |
| O43 | S40 | C37 | C36 | 71.3° | 26.1° |
| O43 | S40 | C37 | C38 | 108.6° | 153.9° |
| O43 | S40 | C41 | H26 | 180.0° | 171.6° |
| O43 | S40 | C41 | H27 | 60.0° | 68.4° |
| O43 | S40 | C41 | H28 | 60.0° | 51.6° |
| C22 | C21 | H9 | H10 | 120.2° | 120.5° |
| C21 | C22 | H11 | H12 | 120.1° | 120.1° |
| C12 | C11 | C16 | C15 | 0.6° | 0.1° |
| C12 | C11 | C16 | N10 | 179.0° | 179.8° |
| C12 | C11 | N10 | C1 | 162.0° | 34.4° |
| C12 | C11 | N10 | H4 | 18.0° | 145.6° |
| C11 | C12 | C13 | H6 | 179.7° | 179.9° |
| C12 | C11 | C16 | H8 | 179.4° | 179.7° |
| C15 | C16 | C11 | H8 | 180.0° | 179.6° |
| C15 | C16 | C11 | N10 | 179.6° | 179.7° |
| O42 | S40 | C37 | C41 | 116.9° | 116.1° |
| O42 | S40 | C37 | C36 | 54.8° | 154.0° |
| O42 | S40 | C37 | C38 | 125.3° | 26.0° |
| O42 | S40 | C41 | H26 | 45.8° | 51.6° |
| O42 | S40 | C41 | H27 | 74.2° | 68.3° |
| O42 | S40 | C41 | H28 | 165.8° | 171.6° |
| S40 | C37 | C36 | C35 | 180.0° | 179.9° |
| S40 | C37 | C36 | C38 | 180.0° | 180.0° |
| S40 | C37 | C38 | C39 | 179.9° | 180.0° |
| S40 | C37 | C36 | H23 | 0.1° | 0.1° |
| S40 | C37 | C38 | H24 | 0.0° | 0.0° |
| C37 | S40 | C41 | H26 | 66.9° | 60.0° |
| C37 | S40 | C41 | H27 | 173.1° | 180.0° |
| C37 | S40 | C41 | H28 | 53.0° | 60.0° |
| C41 | S40 | C37 | C36 | 171.7° | 90.0° |
| C41 | S40 | C37 | C38 | 8.4° | 90.1° |
| S40 | C41 | H26 | H27 | 120.0° | 120.0° |
| S40 | C41 | H26 | H28 | 120.0° | 120.0° |
| S40 | C41 | H27 | H28 | 120.0° | 120.0° |
| C35 | C36 | C37 | H23 | 180.0° | 179.9° |
| C36 | C35 | C33 | H22 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C36 | C35 | C33 | C39 | 0.6° | 0.0° |
| C36 | C35 | C33 | C32 | 179.6° | 179.7° |
| C37 | C36 | C35 | C33 | 0.4° | 0.1° |
| C36 | C37 | C38 | C39 | 0.0° | 0.0° |
| C37 | C36 | C35 | H22 | 179.6° | 179.9° |
| C36 | C37 | C38 | H24 | 180.0° | 180.0° |
| C16 | C11 | N10 | C1 | 19.0° | 145.9° |
| C16 | C11 | N10 | H4 | 161.0° | 34.1° |
| C16 | C11 | C12 | H5 | 179.1° | 180.0° |
| C11 | C16 | C15 | H7 | 179.7° | 180.0° |
| C11 | N10 | C1 | H4 | 180.0° | 180.0° |
| C11 | N10 | C1 | N2 | 8.9° | 5.6° |
| C11 | N10 | C1 | C5 | 171.4° | 174.7° |
| N10 | C11 | C12 | H5 | 0.1° | 0.3° |
| N10 | C11 | C16 | H8 | 0.4° | 0.1° |
| C35 | C33 | C32 | O34 | 33.3° | 179.7° |
| C35 | C33 | C39 | C32 | 179.1° | 179.7° |
| C35 | C33 | C39 | C38 | 0.5° | 0.0° |
| C35 | C33 | C32 | N31 | 146.4° | 0.3° |
| C33 | C35 | C36 | H23 | 179.6° | 179.9° |
| C35 | C33 | C39 | H25 | 179.5° | 179.7° |
| C37 | C38 | C39 | C33 | 0.2° | 0.1° |
| C37 | C38 | C39 | H24 | 180.0° | 179.9° |
| C38 | C37 | C36 | H23 | 179.9° | 179.9° |
| C37 | C38 | C39 | H25 | 179.8° | 179.7° |
| N10 | C1 | N2 | C5 | 179.6° | 179.7° |
| N10 | C1 | N2 | C3 | 179.9° | 179.7° |
| N10 | C1 | C5 | N9 | 0.2° | 0.2° |
| N10 | C1 | C5 | N6 | 179.6° | 179.7° |
| O34 | C32 | C33 | C39 | 147.6° | 0.0° |
| O34 | C32 | C33 | N31 | 179.7° | 180.0° |
| O34 | C32 | N31 | C27 | 0.1° | 4.5° |
| O34 | C32 | N31 | H21 | 180.0° | 175.6° |
| C33 | C39 | C38 | H25 | 180.0° | 179.7° |
| C39 | C33 | C32 | N31 | 32.7° | 180.0° |
| C39 | C33 | C35 | H22 | 179.4° | 180.0° |
| C33 | C39 | C38 | H24 | 179.8° | 180.0° |
| C32 | C33 | C39 | C38 | 179.5° | 179.8° |
| C33 | C32 | N31 | C27 | 179.8° | 175.5° |
| C33 | C32 | N31 | H21 | 0.2° | 4.4° |
| C32 | C33 | C35 | H22 | 0.4° | 0.3° |
| C32 | C33 | C39 | H25 | 0.4° | 0.0° |
| C32 | N31 | C27 | H21 | 180.0° | 180.0° |
| C32 | N31 | C27 | C26 | 23.4° | 143.3° |
| C32 | N31 | C27 | C28 | 157.6° | 36.8° |
| N2 | C1 | C5 | N9 | 179.9° | 180.0° |
| N2 | C1 | C5 | N6 | 0.0° | 0.0° |
| C1 | N2 | C3 | C17 | 179.8° | 179.9° |
| C1 | N2 | C3 | C4 | 0.3° | 0.0° |
| N2 | C1 | N10 | H4 | 171.1° | 174.4° |
| C5 | C1 | N2 | C3 | 0.3° | 0.0° |
| C1 | C5 | N9 | N6 | 179.9° | 179.9° |
| C1 | C5 | N9 | C8 | 179.6° | 180.0° |
| C1 | C5 | N6 | C4 | 0.4° | 0.0° |
| C1 | C5 | N6 | C7 | 180.0° | 180.0° |
| C5 | C1 | N10 | H4 | 8.6° | 5.3° |
| N2 | C3 | C17 | C26 | 22.8° | 0.3° |
| N2 | C3 | C17 | C4 | 179.9° | 179.9° |
| N2 | C3 | C4 | N6 | 0.1° | 0.0° |
| N2 | C3 | C17 | C30 | 157.7° | 180.0° |
| N2 | C3 | C4 | H1 | 179.9° | 179.9° |
| C5 | N9 | C8 | C7 | 0.5° | 0.1° |
| N9 | C5 | N6 | C4 | 179.8° | 180.0° |
| N9 | C5 | N6 | C7 | 0.1° | 0.0° |
| C5 | N9 | C8 | H3 | 179.5° | 180.0° |
| C8 | N9 | C5 | N6 | 0.2° | 0.1° |
| N9 | C8 | C7 | H3 | 180.0° | 179.9° |
| N9 | C8 | C7 | N6 | 0.5° | 0.0° |
| N9 | C8 | C7 | H2 | 179.4° | 180.0° |
| C5 | N6 | C7 | C8 | 0.4° | 0.0° |
| C5 | N6 | C4 | C3 | 0.4° | 0.0° |
| C5 | N6 | C4 | C7 | 179.5° | 179.9° |
| C5 | N6 | C4 | H1 | 179.6° | 179.9° |
| C5 | N6 | C7 | H2 | 179.6° | 180.0° |
| N31 | C27 | C26 | C28 | 179.0° | 179.9° |
| N31 | C27 | C26 | C17 | 179.6° | 180.0° |
| N31 | C27 | C28 | C29 | 179.4° | 180.0° |
| N31 | C27 | C26 | H17 | 0.4° | 0.1° |
| N31 | C27 | C28 | H18 | 0.6° | 0.0° |
| C27 | C26 | C17 | H17 | 180.0° | 180.0° |
| C27 | C26 | C17 | C3 | 179.8° | 179.9° |
| C27 | C26 | C17 | C30 | 0.7° | 0.3° |
| C26 | C27 | C28 | C29 | 0.4° | 0.1° |
| C26 | C27 | C28 | H18 | 179.6° | 179.9° |
| C26 | C27 | N31 | H21 | 156.6° | 36.6° |
| C26 | C17 | C3 | C30 | 179.4° | 179.7° |
| C26 | C17 | C3 | C4 | 157.0° | 179.7° |
| C17 | C26 | C27 | C28 | 0.6° | 0.0° |
| C26 | C17 | C30 | C29 | 0.6° | 0.6° |
| C26 | C17 | C30 | H20 | 179.4° | 179.7° |
| C8 | C7 | N6 | C4 | 180.0° | 180.0° |
| C8 | C7 | N6 | H2 | 180.0° | 180.0° |
| C17 | C3 | C4 | N6 | 179.8° | 180.0° |
| C3 | C17 | C30 | C29 | 180.0° | 179.8° |
| C17 | C3 | C4 | H1 | 0.2° | 0.0° |
| C3 | C17 | C26 | H17 | 0.2° | 0.1° |
| C3 | C17 | C30 | H20 | 0.0° | 0.1° |
| C3 | C4 | N6 | H1 | 180.0° | 180.0° |
| C3 | C4 | N6 | C7 | 179.9° | 180.0° |
| C4 | C3 | C17 | C30 | 22.4° | 0.1° |
| C27 | C28 | C29 | H18 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.3° |
| C28 | C27 | C26 | H17 | 179.4° | 180.0° |
| C27 | C28 | C29 | H19 | 179.8° | 180.0° |
| C28 | C27 | N31 | H21 | 22.4° | 143.3° |
| C4 | N6 | C7 | H2 | 0.0° | 0.0° |
| C7 | N6 | C4 | H1 | 0.1° | 0.0° |
| N6 | C7 | C8 | H3 | 179.4° | 179.9° |
| C17 | C30 | C29 | C28 | 0.3° | 0.6° |
| C17 | C30 | C29 | H20 | 180.0° | 179.7° |
| C30 | C17 | C26 | H17 | 179.3° | 179.7° |
| C17 | C30 | C29 | H19 | 179.7° | 179.7° |
| C28 | C29 | C30 | H19 | 180.0° | 179.7° |
| C28 | C29 | C30 | H20 | 179.7° | 179.7° |
| C30 | C29 | C28 | H18 | 179.8° | 179.7° |
| H2 | C7 | C8 | H3 | 0.6° | 0.1° |
| H5 | C12 | C13 | H6 | 0.3° | 0.0° |
| H7 | C15 | C16 | H8 | 0.3° | 0.3° |
| H9 | C21 | C22 | H11 | 172.6° | 52.5° |
| H9 | C21 | C22 | H12 | 52.6° | 172.6° |
| H10 | C21 | C22 | H11 | 52.5° | 68.0° |
| H10 | C21 | C22 | H12 | 67.5° | 52.1° |
| H13 | C24 | C25 | H15 | 170.1° | 68.0° |
| H13 | C24 | C25 | H16 | 49.9° | 52.6° |
| H14 | C24 | C25 | H15 | 50.3° | 52.1° |
| H14 | C24 | C25 | H16 | 69.9° | 172.7° |
| H18 | C28 | C29 | H19 | 0.2° | 0.0° |
| H19 | C29 | C30 | H20 | 0.3° | 0.0° |
| H22 | C35 | C36 | H23 | 0.4° | 0.1° |
| H24 | C38 | C39 | H25 | 0.2° | 0.3° |
| H26 | C41 | H27 | H28 | 120.0° | 120.0° |
