2SZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | N40 | sing | 1.42Å | 1.42Å | |
| N40 | C38 | sing | 1.35Å | 1.35Å | |
| O39 | C38 | doub | 1.22Å | 1.23Å | |
| C38 | C25 | sing | 1.48Å | 1.48Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | N27 | sing | 1.32Å | 1.33Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| N27 | C28 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | C20 | sing | 1.48Å | 1.49Å | |
| C28 | N29 | sing | 1.39Å | 1.41Å | |
| C21 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| N29 | C30 | sing | 1.36Å | 1.36Å | Aromatic |
| N29 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C30 | N31 | doub | 1.30Å | 1.30Å | Aromatic |
| C22 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C33 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N31 | C32 | sing | 1.36Å | 1.36Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C37 | doub | 1.40Å | 1.40Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.43Å | 1.43Å | |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | trip | 1.17Å | 1.18Å | |
| C15 | C12 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | N14 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | N14 | sing | 1.32Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | N5 | sing | 1.47Å | 1.48Å | |
| C8 | N5 | sing | 1.47Å | 1.48Å | |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.47Å | 1.48Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| N40 | H30 | sing | 0.97Å | 1.00Å | |
| O41 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | N40 | C38 | 116.0° | 120.0° |
| O41 | N40 | H30 | 122.0° | 120.0° |
| N40 | O41 | H31 | 109.5° | 113.9° |
| N40 | C38 | O39 | 117.3° | 120.0° |
| N40 | C38 | C25 | 124.5° | 120.0° |
| C38 | N40 | H30 | 122.0° | 120.0° |
| O39 | C38 | C25 | 117.7° | 120.0° |
| C38 | C25 | C26 | 120.7° | 120.5° |
| C38 | C25 | C24 | 119.2° | 120.4° |
| C26 | C25 | C24 | 118.4° | 119.1° |
| C25 | C26 | N27 | 120.0° | 120.9° |
| C25 | C26 | H24 | 120.0° | 119.5° |
| C25 | C24 | C23 | 120.7° | 118.3° |
| C25 | C24 | H23 | 119.6° | 120.9° |
| C26 | N27 | C28 | 123.3° | 121.9° |
| N27 | C26 | H24 | 120.0° | 119.6° |
| C24 | C23 | C28 | 117.1° | 119.0° |
| C24 | C23 | C20 | 117.3° | 120.5° |
| C23 | C24 | H23 | 119.6° | 120.9° |
| N27 | C28 | C23 | 120.1° | 120.8° |
| N27 | C28 | N29 | 116.8° | 119.6° |
| C28 | C23 | C20 | 125.6° | 120.5° |
| C23 | C28 | N29 | 122.9° | 119.6° |
| C23 | C20 | C21 | 120.3° | 119.9° |
| C23 | C20 | C19 | 120.3° | 120.0° |
| C28 | N29 | C30 | 124.3° | 126.4° |
| C28 | N29 | C33 | 128.6° | 126.4° |
| C20 | C21 | C22 | 120.8° | 120.0° |
| C21 | C20 | C19 | 119.3° | 120.1° |
| C20 | C21 | H21 | 119.6° | 120.0° |
| C21 | C22 | C17 | 119.3° | 120.0° |
| C22 | C21 | H21 | 119.6° | 120.0° |
| C21 | C22 | H22 | 120.4° | 120.0° |
| C30 | N29 | C33 | 106.8° | 107.2° |
| N29 | C30 | N31 | 111.2° | 110.0° |
| N29 | C30 | H25 | 124.4° | 125.0° |
| N29 | C33 | C34 | 134.0° | 134.1° |
| N29 | C33 | C32 | 106.0° | 106.0° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C20 | C19 | H20 | 119.8° | 120.0° |
| C30 | N31 | C32 | 109.0° | 109.8° |
| N31 | C30 | H25 | 124.4° | 124.9° |
| C22 | C17 | C18 | 120.1° | 119.9° |
| C22 | C17 | C16 | 120.2° | 120.1° |
| C17 | C22 | H22 | 120.4° | 120.0° |
| C34 | C33 | C32 | 120.0° | 120.0° |
| C33 | C34 | C35 | 120.1° | 119.8° |
| C33 | C34 | H26 | 120.0° | 120.1° |
| C33 | C32 | N31 | 107.0° | 107.0° |
| C33 | C32 | C37 | 119.4° | 119.4° |
| C34 | C35 | C36 | 120.0° | 120.4° |
| C35 | C34 | H26 | 120.0° | 120.0° |
| C34 | C35 | H27 | 120.0° | 119.8° |
| N31 | C32 | C37 | 133.6° | 133.6° |
| C19 | C18 | C17 | 120.0° | 120.0° |
| C19 | C18 | H19 | 120.0° | 120.0° |
| C18 | C19 | H20 | 119.9° | 120.0° |
| C32 | C37 | C36 | 119.7° | 119.8° |
| C32 | C37 | H29 | 120.2° | 120.1° |
| C35 | C36 | C37 | 120.8° | 120.5° |
| C36 | C35 | H27 | 120.0° | 119.7° |
| C35 | C36 | H28 | 119.6° | 119.7° |
| C18 | C17 | C16 | 119.4° | 120.0° |
| C17 | C18 | H19 | 120.0° | 120.0° |
| C17 | C16 | C15 | 179.2° | 180.0° |
| C37 | C36 | H28 | 119.6° | 119.8° |
| C36 | C37 | H29 | 120.1° | 120.1° |
| C16 | C15 | C12 | 179.5° | 179.9° |
| C15 | C12 | C11 | 121.0° | 120.6° |
| C15 | C12 | C13 | 120.8° | 120.6° |
| C12 | C11 | C10 | 119.4° | 118.3° |
| C11 | C12 | C13 | 118.2° | 118.8° |
| C12 | C11 | H17 | 120.3° | 120.8° |
| C11 | C10 | C9 | 119.1° | 119.3° |
| C11 | C10 | H16 | 120.4° | 120.4° |
| C10 | C11 | H17 | 120.3° | 120.9° |
| C12 | C13 | N14 | 120.5° | 120.5° |
| C12 | C13 | H18 | 119.7° | 119.7° |
| C10 | C9 | N14 | 119.9° | 121.1° |
| C10 | C9 | C8 | 121.0° | 119.5° |
| C9 | C10 | H16 | 120.5° | 120.3° |
| C13 | N14 | C9 | 122.9° | 121.9° |
| N14 | C13 | H18 | 119.8° | 119.7° |
| N14 | C9 | C8 | 119.1° | 119.4° |
| C9 | C8 | N5 | 111.7° | 109.5° |
| C9 | C8 | H14 | 108.9° | 109.5° |
| C9 | C8 | H15 | 108.9° | 109.5° |
| C3 | C4 | N5 | 110.7° | 109.4° |
| C4 | C3 | N2 | 108.8° | 109.3° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| C4 | C3 | H6 | 109.6° | 109.5° |
| C3 | C4 | H7 | 109.2° | 109.5° |
| C3 | C4 | H8 | 109.2° | 109.5° |
| C4 | N5 | C8 | 112.7° | 111.0° |
| C4 | N5 | C6 | 112.7° | 110.9° |
| N5 | C4 | H7 | 109.1° | 109.5° |
| N5 | C4 | H8 | 109.2° | 109.5° |
| C8 | N5 | C6 | 111.1° | 111.0° |
| N5 | C8 | H14 | 108.9° | 109.4° |
| N5 | C8 | H15 | 108.9° | 109.4° |
| C3 | N2 | C1 | 112.5° | 111.0° |
| C3 | N2 | C7 | 113.8° | 110.9° |
| N2 | C3 | H5 | 109.6° | 109.5° |
| N2 | C3 | H6 | 109.6° | 109.5° |
| N5 | C6 | C7 | 109.7° | 109.3° |
| N5 | C6 | H10 | 109.4° | 109.5° |
| N5 | C6 | H11 | 109.4° | 109.5° |
| C1 | N2 | C7 | 111.1° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.4° |
| N2 | C1 | H2 | 109.4° | 109.4° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N2 | C7 | C6 | 108.9° | 109.4° |
| N2 | C7 | H12 | 109.6° | 109.5° |
| N2 | C7 | H13 | 109.6° | 109.5° |
| C7 | C6 | H10 | 109.4° | 109.5° |
| C7 | C6 | H11 | 109.4° | 109.5° |
| C6 | C7 | H12 | 109.6° | 109.5° |
| C6 | C7 | H13 | 109.6° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | N40 | C38 | H30 | 180.0° | 180.0° |
| O41 | N40 | C38 | O39 | 2.7° | 0.0° |
| O41 | N40 | C38 | C25 | 173.8° | 180.0° |
| N40 | C38 | O39 | C25 | 171.7° | 180.0° |
| N40 | C38 | C25 | C26 | 42.9° | 0.0° |
| N40 | C38 | C25 | C24 | 151.8° | 180.0° |
| C38 | N40 | O41 | H31 | 1.3° | 180.0° |
| O39 | C38 | C25 | C26 | 128.2° | 180.0° |
| O39 | C38 | C25 | C24 | 37.1° | 0.0° |
| O39 | C38 | N40 | H30 | 177.3° | 180.0° |
| C38 | C25 | C26 | C24 | 165.4° | 180.0° |
| C38 | C25 | C26 | N27 | 172.1° | 180.0° |
| C38 | C25 | C24 | C23 | 170.5° | 180.0° |
| C38 | C25 | C24 | H23 | 9.5° | 0.0° |
| C38 | C25 | C26 | H24 | 7.8° | 0.1° |
| C25 | C38 | N40 | H30 | 6.2° | 0.0° |
| C25 | C26 | N27 | H24 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 4.8° | 0.0° |
| C25 | C26 | N27 | C28 | 6.8° | 0.0° |
| C26 | C25 | C24 | H23 | 175.2° | 180.0° |
| C24 | C25 | C26 | N27 | 6.7° | 0.0° |
| C25 | C24 | C23 | H23 | 180.0° | 179.9° |
| C25 | C24 | C23 | C28 | 2.7° | 0.0° |
| C25 | C24 | C23 | C20 | 178.3° | 179.7° |
| C24 | C25 | C26 | H24 | 173.3° | 179.9° |
| C26 | N27 | C28 | C23 | 4.5° | 0.0° |
| C26 | N27 | C28 | N29 | 170.0° | 179.7° |
| C24 | C23 | C28 | N27 | 2.4° | 0.0° |
| C24 | C23 | C28 | C20 | 178.9° | 179.7° |
| C24 | C23 | C28 | N29 | 171.8° | 179.8° |
| C24 | C23 | C20 | C21 | 52.6° | 123.9° |
| C24 | C23 | C20 | C19 | 125.4° | 56.1° |
| N27 | C28 | C23 | N29 | 174.2° | 179.8° |
| N27 | C28 | C23 | C20 | 178.7° | 179.7° |
| N27 | C28 | N29 | C30 | 123.3° | 130.1° |
| N27 | C28 | N29 | C33 | 49.7° | 50.2° |
| C28 | N27 | C26 | H24 | 173.2° | 180.0° |
| C28 | C23 | C20 | C21 | 126.4° | 56.3° |
| C23 | C28 | N29 | C30 | 51.1° | 49.6° |
| C23 | C28 | N29 | C33 | 135.9° | 130.0° |
| C28 | C23 | C20 | C19 | 55.6° | 123.6° |
| C28 | C23 | C24 | H23 | 177.3° | 180.0° |
| C20 | C23 | C28 | N29 | 7.1° | 0.0° |
| C23 | C20 | C21 | C19 | 178.0° | 180.0° |
| C23 | C20 | C21 | C22 | 177.6° | 179.7° |
| C23 | C20 | C19 | C18 | 179.9° | 180.0° |
| C23 | C20 | C19 | H20 | 0.0° | 0.0° |
| C23 | C20 | C21 | H21 | 2.4° | 0.1° |
| C20 | C23 | C24 | H23 | 1.7° | 0.2° |
| C28 | N29 | C30 | C33 | 174.3° | 179.7° |
| C28 | N29 | C30 | N31 | 177.2° | 180.0° |
| C28 | N29 | C33 | C34 | 3.4° | 0.1° |
| C28 | N29 | C33 | C32 | 175.8° | 179.9° |
| C28 | N29 | C30 | H25 | 2.8° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C20 | C21 | C22 | C17 | 0.6° | 0.6° |
| C21 | C20 | C19 | C18 | 2.0° | 0.1° |
| C21 | C20 | C19 | H20 | 178.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.4° | 180.0° |
| C22 | C21 | C20 | C19 | 0.4° | 0.3° |
| C21 | C22 | C17 | H22 | 180.0° | 179.4° |
| C21 | C22 | C17 | C18 | 3.9° | 0.6° |
| C21 | C22 | C17 | C16 | 177.3° | 179.7° |
| N29 | C30 | N31 | H25 | 180.0° | 179.9° |
| C30 | N29 | C33 | C34 | 177.4° | 179.8° |
| C30 | N29 | C33 | C32 | 1.8° | 0.4° |
| N29 | C30 | N31 | C32 | 2.8° | 0.1° |
| C33 | N29 | C30 | N31 | 2.9° | 0.3° |
| N29 | C33 | C34 | C32 | 179.1° | 179.8° |
| N29 | C33 | C34 | C35 | 179.0° | 180.0° |
| N29 | C33 | C32 | N31 | 0.2° | 0.3° |
| N29 | C33 | C32 | C37 | 179.3° | 179.8° |
| C33 | N29 | C30 | H25 | 177.1° | 179.8° |
| N29 | C33 | C34 | H26 | 1.0° | 0.0° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 5.4° | 0.1° |
| C20 | C19 | C18 | H19 | 174.6° | 179.9° |
| C19 | C20 | C21 | H21 | 179.6° | 180.0° |
| C30 | N31 | C32 | C33 | 1.6° | 0.2° |
| C30 | N31 | C32 | C37 | 179.0° | 180.0° |
| C22 | C17 | C18 | C19 | 6.4° | 0.2° |
| C22 | C17 | C18 | C16 | 173.4° | 179.8° |
| C22 | C17 | C16 | C15 | 6.3° | 29.4° |
| C22 | C17 | C18 | H19 | 173.6° | 179.7° |
| C17 | C22 | C21 | H21 | 179.4° | 179.6° |
| C33 | C34 | C35 | H26 | 180.0° | 180.0° |
| C34 | C33 | C32 | N31 | 179.1° | 179.8° |
| C34 | C33 | C32 | C37 | 1.4° | 0.1° |
| C33 | C34 | C35 | C36 | 1.0° | 0.0° |
| C33 | C34 | C35 | H27 | 179.0° | 180.0° |
| C32 | C33 | C34 | C35 | 1.9° | 0.1° |
| C33 | C32 | N31 | C37 | 179.4° | 179.8° |
| C33 | C32 | C37 | C36 | 0.1° | 0.4° |
| C32 | C33 | C34 | H26 | 178.1° | 179.9° |
| C33 | C32 | C37 | H29 | 179.9° | 179.8° |
| C34 | C35 | C36 | H27 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.5° | 0.3° |
| C34 | C35 | C36 | H28 | 179.5° | 180.0° |
| N31 | C32 | C37 | C36 | 179.2° | 179.4° |
| C32 | N31 | C30 | H25 | 177.2° | 180.0° |
| N31 | C32 | C37 | H29 | 0.8° | 0.0° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.8° | 180.0° |
| C32 | C37 | C36 | C35 | 1.1° | 0.5° |
| C32 | C37 | C36 | H29 | 180.0° | 179.4° |
| C32 | C37 | C36 | H28 | 178.9° | 179.8° |
| C35 | C36 | C37 | H28 | 180.0° | 179.7° |
| C36 | C35 | C34 | H26 | 179.0° | 180.0° |
| C35 | C36 | C37 | H29 | 178.9° | 179.9° |
| C18 | C17 | C16 | C15 | 179.7° | 150.9° |
| C17 | C18 | C19 | H20 | 174.6° | 180.0° |
| C18 | C17 | C22 | H22 | 176.0° | 180.0° |
| C17 | C16 | C15 | C12 | 11.3° | 135.4° |
| C16 | C17 | C18 | H19 | 0.2° | 0.0° |
| C16 | C17 | C22 | H22 | 2.7° | 0.3° |
| C37 | C36 | C35 | H27 | 179.5° | 179.6° |
| C16 | C15 | C12 | C11 | 22.7° | 106.3° |
| C16 | C15 | C12 | C13 | 160.5° | 73.7° |
| C15 | C12 | C11 | C13 | 176.9° | 180.0° |
| C15 | C12 | C11 | C10 | 176.3° | 180.0° |
| C15 | C12 | C13 | N14 | 176.2° | 180.0° |
| C15 | C12 | C11 | H17 | 3.7° | 0.0° |
| C15 | C12 | C13 | H18 | 3.8° | 0.0° |
| C12 | C11 | C10 | H17 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C11 | C12 | C13 | N14 | 0.8° | 0.0° |
| C12 | C11 | C10 | H16 | 179.4° | 179.9° |
| C11 | C12 | C13 | H18 | 179.2° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C10 | C9 | H16 | 180.0° | 179.9° |
| C11 | C10 | C9 | N14 | 0.6° | 0.0° |
| C11 | C10 | C9 | C8 | 176.8° | 179.7° |
| C12 | C13 | N14 | H18 | 180.0° | 180.0° |
| C12 | C13 | N14 | C9 | 0.8° | 0.0° |
| C13 | C12 | C11 | H17 | 179.4° | 180.0° |
| C10 | C9 | N14 | C13 | 0.7° | 0.0° |
| C10 | C9 | N14 | C8 | 177.4° | 179.8° |
| C10 | C9 | C8 | N5 | 73.0° | 95.3° |
| C10 | C9 | C8 | H14 | 166.7° | 24.7° |
| C10 | C9 | C8 | H15 | 47.4° | 144.8° |
| C9 | C10 | C11 | H17 | 179.4° | 180.0° |
| C13 | N14 | C9 | C8 | 176.7° | 179.7° |
| N14 | C9 | C8 | N5 | 109.6° | 85.0° |
| N14 | C9 | C8 | H14 | 10.7° | 155.0° |
| N14 | C9 | C8 | H15 | 130.0° | 35.0° |
| N14 | C9 | C10 | H16 | 179.4° | 179.9° |
| C9 | N14 | C13 | H18 | 179.2° | 180.0° |
| C9 | C8 | N5 | C4 | 94.6° | 170.0° |
| C9 | C8 | N5 | H14 | 120.3° | 120.0° |
| C9 | C8 | N5 | H15 | 120.3° | 120.0° |
| C9 | C8 | N5 | C6 | 137.8° | 66.2° |
| C9 | C8 | H14 | H15 | 118.9° | 120.0° |
| C8 | C9 | C10 | H16 | 3.3° | 0.3° |
| C3 | C4 | N5 | H7 | 120.2° | 120.0° |
| C3 | C4 | N5 | H8 | 120.2° | 120.0° |
| C3 | C4 | N5 | C8 | 176.5° | 176.8° |
| C4 | C3 | N2 | H5 | 119.9° | 120.0° |
| C4 | C3 | N2 | H6 | 119.9° | 120.0° |
| C3 | C4 | N5 | C6 | 56.8° | 59.3° |
| C4 | C3 | N2 | C1 | 175.2° | 176.9° |
| C4 | C3 | N2 | C7 | 57.4° | 59.4° |
| C4 | C3 | H5 | H6 | 120.3° | 120.1° |
| C3 | C4 | H7 | H8 | 119.5° | 120.0° |
| C4 | N5 | C8 | C6 | 127.6° | 123.9° |
| N5 | C4 | C3 | N2 | 54.5° | 58.4° |
| C4 | N5 | C6 | C7 | 57.2° | 59.3° |
| N5 | C4 | C3 | H5 | 174.4° | 61.6° |
| N5 | C4 | C3 | H6 | 65.3° | 178.3° |
| N5 | C4 | H7 | H8 | 119.4° | 120.1° |
| C4 | N5 | C6 | H10 | 177.3° | 179.3° |
| C4 | N5 | C6 | H11 | 62.8° | 60.6° |
| C4 | N5 | C8 | H14 | 145.1° | 50.0° |
| C4 | N5 | C8 | H15 | 25.7° | 70.0° |
| C8 | N5 | C6 | C7 | 175.2° | 176.8° |
| C8 | N5 | C4 | H7 | 56.3° | 56.8° |
| C8 | N5 | C4 | H8 | 63.3° | 63.2° |
| C8 | N5 | C6 | H10 | 55.1° | 56.8° |
| C8 | N5 | C6 | H11 | 64.8° | 63.3° |
| N5 | C8 | H14 | H15 | 119.0° | 120.0° |
| C3 | N2 | C1 | C7 | 128.9° | 123.7° |
| C3 | N2 | C7 | C6 | 58.4° | 59.4° |
| C3 | N2 | C1 | H1 | 180.0° | 176.2° |
| C3 | N2 | C1 | H2 | 60.0° | 56.3° |
| C3 | N2 | C1 | H3 | 60.0° | 63.8° |
| N2 | C3 | H5 | H6 | 120.3° | 120.0° |
| N2 | C3 | C4 | H7 | 174.7° | 178.4° |
| N2 | C3 | C4 | H8 | 65.7° | 61.6° |
| C3 | N2 | C7 | H12 | 178.3° | 179.3° |
| C3 | N2 | C7 | H13 | 61.5° | 60.6° |
| N5 | C6 | C7 | N2 | 55.9° | 58.4° |
| N5 | C6 | C7 | H10 | 120.0° | 120.0° |
| N5 | C6 | C7 | H11 | 120.1° | 119.9° |
| C6 | N5 | C4 | H7 | 176.9° | 179.3° |
| C6 | N5 | C4 | H8 | 63.4° | 60.7° |
| N5 | C6 | H10 | H11 | 119.9° | 120.0° |
| N5 | C6 | C7 | H12 | 175.9° | 178.3° |
| N5 | C6 | C7 | H13 | 64.0° | 61.6° |
| C6 | N5 | C8 | H14 | 17.5° | 173.8° |
| C6 | N5 | C8 | H15 | 101.9° | 53.8° |
| C1 | N2 | C7 | C6 | 173.4° | 176.8° |
| N2 | C1 | H1 | H2 | 120.0° | 119.9° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | N2 | C3 | H5 | 55.3° | 63.2° |
| C1 | N2 | C3 | H6 | 64.9° | 56.9° |
| C1 | N2 | C7 | H12 | 53.5° | 56.9° |
| C1 | N2 | C7 | H13 | 66.7° | 63.2° |
| N2 | C7 | C6 | H12 | 119.9° | 119.9° |
| N2 | C7 | C6 | H13 | 119.9° | 120.0° |
| C7 | N2 | C1 | H1 | 51.1° | 60.1° |
| C7 | N2 | C1 | H2 | 171.1° | 180.0° |
| C7 | N2 | C1 | H3 | 68.9° | 59.9° |
| C7 | N2 | C3 | H5 | 177.2° | 60.6° |
| C7 | N2 | C3 | H6 | 62.5° | 179.3° |
| N2 | C7 | C6 | H10 | 176.0° | 178.4° |
| N2 | C7 | C6 | H11 | 64.1° | 61.5° |
| N2 | C7 | H12 | H13 | 120.3° | 120.1° |
| C7 | C6 | H10 | H11 | 119.9° | 120.1° |
| C6 | C7 | H12 | H13 | 120.3° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C3 | C4 | H7 | 65.4° | 58.4° |
| H5 | C3 | C4 | H8 | 54.2° | 178.4° |
| H6 | C3 | C4 | H7 | 54.8° | 61.7° |
| H6 | C3 | C4 | H8 | 174.5° | 58.3° |
| H10 | C6 | C7 | H12 | 64.1° | 61.7° |
| H10 | C6 | C7 | H13 | 56.1° | 58.4° |
| H11 | C6 | C7 | H12 | 55.8° | 58.4° |
| H11 | C6 | C7 | H13 | 176.0° | 178.5° |
| H16 | C10 | C11 | H17 | 0.6° | 0.0° |
| H19 | C18 | C19 | H20 | 5.4° | 0.0° |
| H21 | C21 | C22 | H22 | 0.6° | 0.2° |
| H26 | C34 | C35 | H27 | 1.0° | 0.1° |
| H27 | C35 | C36 | H28 | 0.5° | 0.1° |
| H28 | C36 | C37 | H29 | 1.1° | 0.4° |
| H30 | N40 | O41 | H31 | 178.7° | 0.1° |
