5YY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C16 | sing | 1.35Å | 1.40Å | |
| N3 | C18 | sing | 1.35Å | 1.37Å | |
| O3 | C16 | doub | 1.22Å | 1.23Å | |
| C16 | C14 | sing | 1.41Å | 1.44Å | |
| C18 | C12 | doub | 1.38Å | 1.36Å | |
| N2 | C10 | sing | 1.36Å | 1.40Å | Aromatic |
| N2 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.36Å | 1.36Å | |
| C12 | C13 | sing | 1.41Å | 1.43Å | |
| C12 | C11 | sing | 1.48Å | 1.50Å | |
| C10 | C25 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | N4 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C4 | sing | 1.35Å | 1.33Å | |
| N | C3 | sing | 1.46Å | 1.45Å | |
| N4 | C19 | sing | 1.46Å | 1.47Å | |
| C7 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.45Å | |
| C1 | O | sing | 1.45Å | 1.46Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| O1 | C2 | doub | 1.21Å | 1.20Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O | sing | 1.34Å | 1.33Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| N1 | C27 | sing | 1.35Å | 1.35Å | |
| C24 | C20 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C27 | O5 | doub | 1.22Å | 1.22Å | |
| C27 | C28 | sing | 1.48Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | O4 | sing | 1.43Å | 1.43Å | |
| C28 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.36Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.39Å | Aromatic |
| O4 | C22 | sing | 1.43Å | 1.43Å | |
| C32 | C31 | doub | 1.47Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.47Å | 1.39Å | Aromatic |
| C31 | N5 | sing | 1.32Å | 1.43Å | |
| N5 | N6 | doub | 1.12Å | 1.28Å | |
| N6 | N7 | doub | 1.12Å | 1.14Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C18 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N3 | C16 | 117.2° | 119.5° |
| C17 | N3 | C18 | 120.1° | 119.5° |
| N3 | C17 | H10 | 109.5° | 109.4° |
| N3 | C17 | H11 | 109.5° | 109.5° |
| N3 | C17 | H12 | 109.4° | 109.5° |
| C16 | N3 | C18 | 122.7° | 120.9° |
| N3 | C16 | O3 | 120.1° | 119.7° |
| N3 | C16 | C14 | 116.1° | 120.5° |
| N3 | C18 | C12 | 121.8° | 120.5° |
| N3 | C18 | H39 | 119.1° | 119.8° |
| O3 | C16 | C14 | 123.8° | 119.8° |
| C16 | C14 | C15 | 118.1° | 120.2° |
| C16 | C14 | C13 | 119.4° | 119.5° |
| C18 | C12 | C13 | 116.7° | 119.5° |
| C18 | C12 | C11 | 117.3° | 120.2° |
| C12 | C18 | H39 | 119.1° | 119.7° |
| C10 | N2 | C11 | 104.8° | 109.6° |
| N2 | C10 | C9 | 130.1° | 133.3° |
| N2 | C10 | C25 | 110.5° | 107.2° |
| N2 | C11 | C12 | 120.9° | 125.1° |
| N2 | C11 | N4 | 112.9° | 109.8° |
| C10 | C9 | C8 | 119.3° | 119.8° |
| C9 | C10 | C25 | 119.4° | 119.4° |
| C10 | C9 | H34 | 120.3° | 120.1° |
| C9 | C8 | C7 | 121.6° | 120.5° |
| C9 | C8 | H5 | 119.2° | 119.8° |
| C8 | C9 | H34 | 120.3° | 120.1° |
| C15 | C14 | C13 | 122.3° | 120.3° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C14 | C15 | H8 | 109.4° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.4° |
| C14 | C13 | C12 | 122.8° | 119.1° |
| C14 | C13 | H6 | 118.6° | 120.4° |
| C13 | C12 | C11 | 125.7° | 120.3° |
| C12 | C13 | H6 | 118.6° | 120.5° |
| C12 | C11 | N4 | 125.4° | 125.1° |
| C10 | C25 | N4 | 105.5° | 106.2° |
| C10 | C25 | C26 | 121.2° | 120.0° |
| C11 | N4 | C25 | 106.3° | 107.2° |
| C11 | N4 | C19 | 128.6° | 126.4° |
| C8 | C7 | C26 | 118.6° | 120.5° |
| C8 | C7 | C6 | 119.5° | 119.8° |
| C7 | C8 | H5 | 119.2° | 119.7° |
| N4 | C25 | C26 | 133.1° | 133.8° |
| C25 | N4 | C19 | 124.2° | 126.4° |
| C25 | C26 | C7 | 119.8° | 119.8° |
| C25 | C26 | H20 | 120.1° | 120.1° |
| C4 | N | C3 | 121.5° | 120.0° |
| N | C4 | O2 | 123.3° | 120.0° |
| N | C4 | C5 | 115.6° | 120.0° |
| C4 | N | H26 | 119.3° | 120.0° |
| N | C3 | C2 | 112.0° | 109.5° |
| C3 | N | H26 | 119.3° | 120.0° |
| N | C3 | H27 | 108.8° | 109.4° |
| N | C3 | H28 | 108.9° | 109.5° |
| N4 | C19 | C20 | 113.0° | 109.5° |
| N4 | C19 | H35 | 108.6° | 109.5° |
| N4 | C19 | H36 | 108.6° | 109.4° |
| C26 | C7 | C6 | 121.6° | 119.8° |
| C7 | C26 | H20 | 120.1° | 120.1° |
| C7 | C6 | N1 | 115.9° | 109.5° |
| C7 | C6 | H3 | 107.8° | 109.5° |
| C7 | C6 | H4 | 107.9° | 109.5° |
| C | C1 | O | 108.7° | 109.5° |
| C | C1 | H29 | 109.6° | 109.5° |
| C | C1 | H30 | 109.6° | 109.5° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C1 | C | H33 | 109.5° | 109.5° |
| C1 | O | C2 | 116.1° | 117.0° |
| O | C1 | H29 | 109.7° | 109.4° |
| O | C1 | H30 | 109.7° | 109.5° |
| O2 | C4 | C5 | 121.1° | 120.0° |
| C4 | C5 | N1 | 112.6° | 109.5° |
| C4 | C5 | H1 | 108.7° | 109.5° |
| C4 | C5 | H2 | 108.7° | 109.5° |
| O1 | C2 | C3 | 125.5° | 120.0° |
| O1 | C2 | O | 124.1° | 120.0° |
| C3 | C2 | O | 110.4° | 120.0° |
| C2 | C3 | H27 | 108.9° | 109.4° |
| C2 | C3 | H28 | 108.8° | 109.5° |
| C5 | N1 | C6 | 115.8° | 120.0° |
| C5 | N1 | C27 | 118.5° | 120.0° |
| N1 | C5 | H1 | 108.7° | 109.4° |
| N1 | C5 | H2 | 108.7° | 109.5° |
| C6 | N1 | C27 | 125.4° | 120.0° |
| N1 | C6 | H3 | 107.8° | 109.4° |
| N1 | C6 | H4 | 107.8° | 109.4° |
| C19 | C20 | C24 | 113.0° | 109.6° |
| C19 | C20 | C21 | 110.4° | 109.6° |
| C19 | C20 | H13 | 108.2° | 109.6° |
| C20 | C19 | H35 | 108.6° | 109.5° |
| C20 | C19 | H36 | 108.6° | 109.5° |
| N1 | C27 | O5 | 121.9° | 120.0° |
| N1 | C27 | C28 | 119.5° | 120.0° |
| C20 | C24 | C23 | 110.8° | 109.2° |
| C24 | C20 | C21 | 108.8° | 109.0° |
| C24 | C20 | H13 | 108.2° | 109.5° |
| C20 | C24 | H18 | 109.2° | 109.5° |
| C20 | C24 | H19 | 109.1° | 109.5° |
| C24 | C23 | O4 | 111.6° | 109.4° |
| C23 | C24 | H18 | 109.1° | 109.5° |
| C23 | C24 | H19 | 109.2° | 109.5° |
| C24 | C23 | H37 | 108.9° | 109.4° |
| C24 | C23 | H38 | 108.9° | 109.5° |
| C20 | C21 | C22 | 110.1° | 109.2° |
| C21 | C20 | H13 | 108.2° | 109.5° |
| C20 | C21 | H14 | 109.3° | 109.5° |
| C20 | C21 | H15 | 109.3° | 109.5° |
| O5 | C27 | C28 | 118.6° | 120.0° |
| C27 | C28 | C33 | 121.5° | 119.2° |
| C27 | C28 | C29 | 119.7° | 119.1° |
| C21 | C22 | O4 | 111.5° | 109.4° |
| C22 | C21 | H14 | 109.3° | 109.5° |
| C22 | C21 | H15 | 109.3° | 109.5° |
| C21 | C22 | H16 | 108.9° | 109.4° |
| C21 | C22 | H17 | 109.0° | 109.5° |
| C23 | O4 | C22 | 110.4° | 114.1° |
| O4 | C23 | H37 | 108.9° | 109.5° |
| O4 | C23 | H38 | 109.0° | 109.5° |
| C33 | C28 | C29 | 118.7° | 121.6° |
| C28 | C33 | C32 | 120.7° | 120.8° |
| C28 | C33 | H25 | 119.6° | 119.6° |
| C28 | C29 | C30 | 120.7° | 120.8° |
| C28 | C29 | H23 | 119.7° | 119.6° |
| C33 | C32 | C31 | 120.6° | 119.1° |
| C33 | C32 | H24 | 119.7° | 120.5° |
| C32 | C33 | H25 | 119.7° | 119.6° |
| C29 | C30 | C31 | 120.4° | 119.2° |
| C29 | C30 | H22 | 119.8° | 120.4° |
| C30 | C29 | H23 | 119.7° | 119.6° |
| O4 | C22 | H16 | 109.0° | 109.5° |
| O4 | C22 | H17 | 109.0° | 109.5° |
| C32 | C31 | C30 | 118.9° | 118.5° |
| C32 | C31 | N5 | 113.9° | 120.7° |
| C31 | C32 | H24 | 119.7° | 120.4° |
| C30 | C31 | N5 | 127.2° | 120.8° |
| C31 | C30 | H22 | 119.8° | 120.4° |
| C31 | N5 | N6 | 113.1° | 120.0° |
| N5 | N6 | N7 | 166.4° | 179.9° |
| N6 | N7 | H21 | 112.0° | 120.0° |
| H1 | C5 | H2 | 109.4° | 109.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.4° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.6° |
| H16 | C22 | H17 | 109.5° | 109.4° |
| H18 | C24 | H19 | 109.4° | 109.6° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.5° |
| H31 | C | H32 | 109.5° | 109.4° |
| H31 | C | H33 | 109.4° | 109.5° |
| H32 | C | H33 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.5° |
| H37 | C23 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | N3 | C16 | C18 | 178.2° | 179.7° |
| C17 | N3 | C16 | O3 | 3.2° | 0.3° |
| C17 | N3 | C16 | C14 | 179.7° | 179.7° |
| C17 | N3 | C18 | C12 | 173.2° | 179.7° |
| N3 | C17 | H10 | H11 | 120.0° | 120.0° |
| N3 | C17 | H10 | H12 | 120.0° | 120.0° |
| N3 | C17 | H11 | H12 | 120.0° | 120.0° |
| C17 | N3 | C18 | H39 | 6.8° | 0.3° |
| N3 | C16 | O3 | C14 | 176.1° | 180.0° |
| C16 | N3 | C18 | C12 | 5.0° | 0.0° |
| N3 | C16 | C14 | C15 | 170.8° | 180.0° |
| N3 | C16 | C14 | C13 | 5.1° | 0.0° |
| C16 | N3 | C17 | H10 | 180.0° | 0.0° |
| C16 | N3 | C17 | H11 | 60.0° | 120.0° |
| C16 | N3 | C17 | H12 | 60.0° | 120.0° |
| C16 | N3 | C18 | H39 | 175.0° | 180.0° |
| C18 | N3 | C16 | O3 | 175.0° | 180.0° |
| C18 | N3 | C16 | C14 | 1.5° | 0.0° |
| N3 | C18 | C12 | H39 | 180.0° | 180.0° |
| N3 | C18 | C12 | C13 | 7.4° | 0.0° |
| N3 | C18 | C12 | C11 | 178.2° | 180.0° |
| C18 | N3 | C17 | H10 | 1.8° | 179.7° |
| C18 | N3 | C17 | H11 | 121.8° | 59.7° |
| C18 | N3 | C17 | H12 | 118.2° | 60.3° |
| O3 | C16 | C14 | C15 | 12.9° | 0.0° |
| O3 | C16 | C14 | C13 | 171.2° | 180.0° |
| C16 | C14 | C15 | C13 | 175.8° | 180.0° |
| C16 | C14 | C13 | C12 | 2.7° | 0.0° |
| C16 | C14 | C13 | H6 | 177.3° | 180.0° |
| C16 | C14 | C15 | H7 | 180.0° | 0.0° |
| C16 | C14 | C15 | H8 | 60.0° | 120.0° |
| C16 | C14 | C15 | H9 | 60.0° | 120.0° |
| C18 | C12 | C11 | N2 | 26.7° | 61.6° |
| C18 | C12 | C13 | C14 | 3.6° | 0.0° |
| C18 | C12 | C13 | C11 | 173.9° | 180.0° |
| C18 | C12 | C11 | N4 | 164.6° | 118.4° |
| C18 | C12 | C13 | H6 | 176.4° | 179.9° |
| N2 | C10 | C9 | C25 | 176.4° | 180.0° |
| N2 | C10 | C9 | C8 | 174.7° | 179.2° |
| C10 | N2 | C11 | C12 | 170.2° | 180.0° |
| C10 | N2 | C11 | N4 | 0.2° | 0.0° |
| N2 | C10 | C25 | N4 | 1.1° | 0.0° |
| N2 | C10 | C25 | C26 | 174.9° | 179.5° |
| N2 | C10 | C9 | H34 | 5.3° | 0.0° |
| C11 | N2 | C10 | C9 | 177.2° | 180.0° |
| N2 | C11 | C12 | C13 | 147.2° | 118.4° |
| N2 | C11 | C12 | N4 | 168.7° | 180.0° |
| C11 | N2 | C10 | C25 | 0.6° | 0.0° |
| N2 | C11 | N4 | C25 | 0.9° | 0.0° |
| N2 | C11 | N4 | C19 | 170.4° | 180.0° |
| C10 | C9 | C8 | H34 | 180.0° | 179.2° |
| C10 | C9 | C8 | C7 | 0.8° | 0.5° |
| C9 | C10 | C25 | N4 | 178.1° | 180.0° |
| C9 | C10 | C25 | C26 | 2.1° | 0.5° |
| C10 | C9 | C8 | H5 | 179.2° | 179.5° |
| C8 | C9 | C10 | C25 | 1.6° | 0.8° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | C26 | 2.6° | 0.0° |
| C9 | C8 | C7 | C6 | 171.1° | 179.7° |
| C15 | C14 | C13 | C12 | 173.1° | 180.0° |
| C15 | C14 | C13 | H6 | 6.9° | 0.0° |
| C14 | C15 | H7 | H8 | 120.0° | 120.0° |
| C14 | C15 | H7 | H9 | 120.0° | 120.0° |
| C14 | C15 | H8 | H9 | 120.0° | 119.9° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 177.5° | 180.0° |
| C13 | C14 | C15 | H7 | 4.2° | 180.0° |
| C13 | C14 | C15 | H8 | 124.2° | 59.9° |
| C13 | C14 | C15 | H9 | 115.8° | 60.0° |
| C13 | C12 | C11 | N4 | 21.5° | 61.5° |
| C13 | C12 | C18 | H39 | 172.6° | 180.0° |
| C12 | C11 | N4 | C25 | 170.4° | 180.0° |
| C12 | C11 | N4 | C19 | 20.1° | 0.0° |
| C11 | C12 | C13 | H6 | 2.5° | 0.0° |
| C11 | C12 | C18 | H39 | 1.8° | 0.0° |
| C10 | C25 | N4 | C11 | 1.2° | 0.0° |
| C10 | C25 | N4 | C26 | 175.3° | 179.3° |
| C10 | C25 | N4 | C19 | 171.2° | 180.0° |
| C10 | C25 | C26 | C7 | 0.2° | 0.0° |
| C10 | C25 | C26 | H20 | 179.7° | 180.0° |
| C25 | C10 | C9 | H34 | 178.4° | 180.0° |
| C11 | N4 | C25 | C19 | 170.1° | 180.0° |
| C11 | N4 | C25 | C26 | 174.2° | 179.4° |
| C11 | N4 | C19 | C20 | 95.1° | 84.5° |
| C11 | N4 | C19 | H35 | 25.4° | 35.5° |
| C11 | N4 | C19 | H36 | 144.4° | 155.5° |
| C8 | C7 | C26 | C25 | 2.1° | 0.2° |
| C8 | C7 | C26 | C6 | 173.6° | 179.7° |
| C8 | C7 | C6 | N1 | 151.4° | 89.7° |
| C8 | C7 | C6 | H3 | 30.5° | 150.3° |
| C8 | C7 | C6 | H4 | 87.7° | 30.3° |
| C8 | C7 | C26 | H20 | 177.9° | 179.7° |
| C7 | C8 | C9 | H34 | 179.3° | 179.7° |
| N4 | C25 | C26 | C7 | 175.0° | 179.3° |
| C25 | N4 | C19 | C20 | 72.7° | 95.5° |
| N4 | C25 | C26 | H20 | 5.0° | 0.7° |
| C25 | N4 | C19 | H35 | 166.8° | 144.5° |
| C25 | N4 | C19 | H36 | 47.8° | 24.5° |
| C26 | C25 | N4 | C19 | 4.1° | 0.7° |
| C25 | C26 | C7 | H20 | 180.0° | 179.9° |
| C25 | C26 | C7 | C6 | 171.5° | 180.0° |
| C4 | N | C3 | H26 | 180.0° | 179.9° |
| N | C4 | O2 | C5 | 179.9° | 180.0° |
| C4 | N | C3 | C2 | 132.1° | 180.0° |
| N | C4 | C5 | N1 | 164.3° | 180.0° |
| N | C4 | C5 | H1 | 75.2° | 60.0° |
| N | C4 | C5 | H2 | 43.8° | 60.0° |
| C4 | N | C3 | H27 | 107.5° | 60.0° |
| C4 | N | C3 | H28 | 11.7° | 60.0° |
| C3 | N | C4 | O2 | 62.2° | 0.1° |
| C3 | N | C4 | C5 | 118.0° | 180.0° |
| N | C3 | C2 | O1 | 3.2° | 0.0° |
| N | C3 | C2 | H27 | 120.4° | 119.9° |
| N | C3 | C2 | H28 | 120.4° | 120.0° |
| N | C3 | C2 | O | 176.0° | 180.0° |
| N | C3 | H27 | H28 | 118.9° | 120.0° |
| N4 | C19 | C20 | H35 | 120.5° | 120.0° |
| N4 | C19 | C20 | H36 | 120.5° | 120.0° |
| N4 | C19 | C20 | C24 | 46.1° | 66.0° |
| N4 | C19 | C20 | C21 | 168.1° | 174.4° |
| N4 | C19 | C20 | H13 | 73.7° | 54.2° |
| N4 | C19 | H35 | H36 | 118.4° | 120.0° |
| C26 | C7 | C6 | N1 | 35.0° | 90.0° |
| C26 | C7 | C6 | H3 | 156.0° | 30.0° |
| C26 | C7 | C6 | H4 | 85.9° | 150.0° |
| C26 | C7 | C8 | H5 | 177.4° | 180.0° |
| C7 | C6 | N1 | C5 | 49.7° | 90.3° |
| C7 | C6 | N1 | H3 | 121.0° | 120.0° |
| C7 | C6 | N1 | H4 | 120.9° | 120.0° |
| C7 | C6 | N1 | C27 | 136.7° | 90.0° |
| C7 | C6 | H3 | H4 | 117.1° | 120.1° |
| C6 | C7 | C8 | H5 | 8.9° | 0.3° |
| C6 | C7 | C26 | H20 | 8.5° | 0.0° |
| C | C1 | O | H29 | 119.9° | 119.9° |
| C | C1 | O | H30 | 119.9° | 120.1° |
| C | C1 | O | C2 | 163.6° | 180.0° |
| C | C1 | H29 | H30 | 120.3° | 120.1° |
| C1 | C | H31 | H32 | 120.0° | 119.9° |
| C1 | C | H31 | H33 | 120.0° | 120.1° |
| C1 | C | H32 | H33 | 120.0° | 120.1° |
| C1 | O | C2 | O1 | 61.6° | 0.1° |
| C1 | O | C2 | C3 | 117.6° | 180.0° |
| O | C1 | H29 | H30 | 120.3° | 120.0° |
| O | C1 | C | H31 | 180.0° | 180.0° |
| O | C1 | C | H32 | 60.0° | 60.1° |
| O | C1 | C | H33 | 60.0° | 59.9° |
| O2 | C4 | C5 | N1 | 15.8° | 0.1° |
| O2 | C4 | C5 | H1 | 104.7° | 120.1° |
| O2 | C4 | C5 | H2 | 136.3° | 120.0° |
| O2 | C4 | N | H26 | 117.8° | 180.0° |
| C4 | C5 | N1 | H1 | 120.5° | 120.0° |
| C4 | C5 | N1 | H2 | 120.5° | 120.1° |
| C4 | C5 | N1 | C6 | 95.8° | 83.0° |
| C4 | C5 | N1 | C27 | 78.2° | 96.7° |
| C4 | C5 | H1 | H2 | 118.5° | 120.0° |
| C5 | C4 | N | H26 | 62.1° | 0.1° |
| O1 | C2 | C3 | O | 179.1° | 180.0° |
| O1 | C2 | C3 | H27 | 123.5° | 120.0° |
| O1 | C2 | C3 | H28 | 117.2° | 119.9° |
| C2 | C3 | N | H26 | 47.9° | 0.1° |
| C2 | C3 | H27 | H28 | 118.8° | 120.0° |
| O | C2 | C3 | H27 | 55.6° | 60.1° |
| O | C2 | C3 | H28 | 63.6° | 60.0° |
| C2 | O | C1 | H29 | 43.7° | 60.0° |
| C2 | O | C1 | H30 | 76.6° | 59.9° |
| C5 | N1 | C6 | C27 | 173.6° | 179.7° |
| C5 | N1 | C27 | O5 | 0.5° | 174.8° |
| C5 | N1 | C27 | C28 | 179.1° | 5.2° |
| N1 | C5 | H1 | H2 | 118.6° | 120.0° |
| C5 | N1 | C6 | H3 | 71.3° | 29.7° |
| C5 | N1 | C6 | H4 | 170.6° | 149.7° |
| C6 | N1 | C27 | O5 | 172.9° | 5.6° |
| C6 | N1 | C27 | C28 | 5.7° | 174.4° |
| C6 | N1 | C5 | H1 | 24.7° | 37.0° |
| C6 | N1 | C5 | H2 | 143.7° | 156.9° |
| N1 | C6 | H3 | H4 | 117.0° | 120.0° |
| C19 | C20 | C24 | C21 | 123.0° | 119.9° |
| C19 | C20 | C24 | H13 | 119.8° | 120.2° |
| C19 | C20 | C24 | C23 | 175.5° | 176.9° |
| C19 | C20 | C21 | H13 | 118.3° | 120.2° |
| C19 | C20 | C21 | C22 | 177.8° | 176.9° |
| C19 | C20 | C21 | H14 | 57.7° | 57.0° |
| C19 | C20 | C21 | H15 | 62.2° | 63.2° |
| C19 | C20 | C24 | H18 | 64.3° | 63.2° |
| C19 | C20 | C24 | H19 | 55.3° | 57.0° |
| C20 | C19 | H35 | H36 | 118.4° | 120.0° |
| N1 | C27 | O5 | C28 | 178.6° | 180.0° |
| N1 | C27 | C28 | C33 | 67.5° | 49.8° |
| N1 | C27 | C28 | C29 | 116.4° | 130.4° |
| C27 | N1 | C5 | H1 | 161.3° | 143.3° |
| C27 | N1 | C5 | H2 | 42.2° | 23.4° |
| C27 | N1 | C6 | H3 | 102.3° | 150.0° |
| C27 | N1 | C6 | H4 | 15.8° | 30.0° |
| C20 | C24 | C23 | H18 | 120.2° | 119.9° |
| C20 | C24 | C23 | H19 | 120.2° | 119.9° |
| C24 | C20 | C21 | H13 | 117.3° | 119.8° |
| C24 | C20 | C21 | C22 | 53.3° | 57.0° |
| C20 | C24 | C23 | O4 | 56.7° | 57.5° |
| C24 | C20 | C21 | H14 | 66.8° | 62.9° |
| C24 | C20 | C21 | H15 | 173.4° | 176.9° |
| C20 | C24 | H18 | H19 | 119.4° | 120.1° |
| C24 | C20 | C19 | H35 | 74.5° | 174.0° |
| C24 | C20 | C19 | H36 | 166.6° | 54.0° |
| C20 | C24 | C23 | H37 | 63.6° | 62.4° |
| C20 | C24 | C23 | H38 | 177.0° | 177.6° |
| C23 | C24 | C20 | C21 | 52.5° | 57.0° |
| C24 | C23 | O4 | H37 | 120.3° | 119.9° |
| C24 | C23 | O4 | H38 | 120.3° | 120.0° |
| C24 | C23 | O4 | C22 | 60.4° | 61.1° |
| C23 | C24 | C20 | H13 | 64.7° | 62.9° |
| C23 | C24 | H18 | H19 | 119.4° | 120.1° |
| C24 | C23 | H37 | H38 | 119.0° | 120.0° |
| C20 | C21 | C22 | H14 | 120.1° | 119.9° |
| C20 | C21 | C22 | H15 | 120.1° | 119.9° |
| C20 | C21 | C22 | O4 | 58.7° | 57.6° |
| C20 | C21 | H14 | H15 | 119.7° | 120.1° |
| C20 | C21 | C22 | H16 | 179.0° | 177.6° |
| C20 | C21 | C22 | H17 | 61.6° | 62.4° |
| C21 | C20 | C24 | H18 | 172.7° | 176.9° |
| C21 | C20 | C24 | H19 | 67.7° | 62.9° |
| C21 | C20 | C19 | H35 | 47.6° | 54.4° |
| C21 | C20 | C19 | H36 | 71.4° | 65.6° |
| O5 | C27 | C28 | C33 | 113.8° | 130.2° |
| O5 | C27 | C28 | C29 | 62.2° | 49.6° |
| C27 | C28 | C33 | C29 | 176.1° | 179.8° |
| C27 | C28 | C33 | C32 | 175.3° | 179.7° |
| C27 | C28 | C29 | C30 | 175.1° | 179.8° |
| C27 | C28 | C29 | H23 | 5.0° | 0.3° |
| C27 | C28 | C33 | H25 | 4.7° | 0.2° |
| C21 | C22 | O4 | C23 | 61.6° | 61.2° |
| C21 | C22 | O4 | H16 | 120.3° | 120.0° |
| C21 | C22 | O4 | H17 | 120.3° | 120.0° |
| C22 | C21 | C20 | H13 | 64.0° | 62.8° |
| C22 | C21 | H14 | H15 | 119.7° | 120.2° |
| C21 | C22 | H16 | H17 | 119.1° | 120.0° |
| C23 | O4 | C22 | H16 | 178.1° | 178.9° |
| C23 | O4 | C22 | H17 | 58.7° | 58.9° |
| O4 | C23 | C24 | H18 | 176.9° | 177.5° |
| O4 | C23 | C24 | H19 | 63.5° | 62.4° |
| O4 | C23 | H37 | H38 | 119.1° | 120.1° |
| C28 | C33 | C32 | H25 | 180.0° | 179.9° |
| C33 | C28 | C29 | C30 | 1.1° | 0.0° |
| C28 | C33 | C32 | C31 | 0.1° | 0.1° |
| C33 | C28 | C29 | H23 | 178.9° | 180.0° |
| C28 | C33 | C32 | H24 | 179.8° | 180.0° |
| C29 | C28 | C33 | C32 | 0.8° | 0.0° |
| C28 | C29 | C30 | H23 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C28 | C29 | C30 | H22 | 179.3° | 180.0° |
| C29 | C28 | C33 | H25 | 179.2° | 179.9° |
| C33 | C32 | C31 | H24 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 0.2° | 0.0° |
| C33 | C32 | C31 | N5 | 179.1° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | H22 | 180.0° | 180.0° |
| C29 | C30 | C31 | N5 | 178.6° | 180.0° |
| O4 | C22 | C21 | H14 | 61.4° | 62.3° |
| O4 | C22 | C21 | H15 | 178.8° | 177.5° |
| O4 | C22 | H16 | H17 | 119.1° | 120.1° |
| C22 | O4 | C23 | H37 | 59.9° | 58.8° |
| C22 | O4 | C23 | H38 | 179.3° | 178.9° |
| C32 | C31 | C30 | N5 | 178.6° | 180.0° |
| C32 | C31 | N5 | N6 | 141.2° | 0.0° |
| C32 | C31 | C30 | H22 | 180.0° | 180.0° |
| C31 | C32 | C33 | H25 | 179.9° | 179.9° |
| C30 | C31 | N5 | N6 | 40.1° | 180.0° |
| C31 | C30 | C29 | H23 | 179.3° | 180.0° |
| C30 | C31 | C32 | H24 | 179.8° | 180.0° |
| C31 | N5 | N6 | N7 | 178.9° | 5.8° |
| N5 | C31 | C30 | H22 | 1.4° | 0.0° |
| N5 | C31 | C32 | H24 | 1.0° | 0.0° |
| N5 | N6 | N7 | H21 | 0.0° | 95.9° |
| H5 | C8 | C9 | H34 | 0.7° | 0.3° |
| H7 | C15 | H8 | H9 | 120.0° | 120.0° |
| H10 | C17 | H11 | H12 | 120.0° | 120.0° |
| H13 | C20 | C21 | H14 | 176.0° | 177.2° |
| H13 | C20 | C21 | H15 | 56.1° | 57.0° |
| H13 | C20 | C24 | H18 | 55.5° | 57.0° |
| H13 | C20 | C24 | H19 | 175.0° | 177.2° |
| H13 | C20 | C19 | H35 | 165.8° | 65.8° |
| H13 | C20 | C19 | H36 | 46.8° | 174.2° |
| H14 | C21 | C22 | H16 | 58.9° | 57.7° |
| H14 | C21 | C22 | H17 | 178.3° | 177.7° |
| H15 | C21 | C22 | H16 | 60.9° | 62.5° |
| H15 | C21 | C22 | H17 | 58.5° | 57.5° |
| H18 | C24 | C23 | H37 | 56.6° | 57.6° |
| H18 | C24 | C23 | H38 | 62.8° | 62.5° |
| H19 | C24 | C23 | H37 | 176.2° | 177.7° |
| H19 | C24 | C23 | H38 | 56.8° | 57.7° |
| H22 | C30 | C29 | H23 | 0.7° | 0.0° |
| H24 | C32 | C33 | H25 | 0.2° | 0.1° |
| H26 | N | C3 | H27 | 72.5° | 120.0° |
| H26 | N | C3 | H28 | 168.3° | 119.9° |
| H29 | C1 | C | H31 | 60.1° | 60.1° |
| H29 | C1 | C | H32 | 59.9° | 180.0° |
| H29 | C1 | C | H33 | 179.9° | 60.0° |
| H30 | C1 | C | H31 | 60.1° | 60.0° |
| H30 | C1 | C | H32 | 179.9° | 60.0° |
| H30 | C1 | C | H33 | 59.9° | 180.0° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
