A1H81
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C14 | doub | 1.21Å | 1.23Å | |
| C16 | O1 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C17 | O1 | sing | 1.43Å | 1.42Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | N4 | sing | 1.35Å | 1.33Å | |
| C15 | N4 | sing | 1.47Å | 1.46Å | |
| C13 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C18 | sing | 1.47Å | 1.47Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C19 | N2 | sing | 1.47Å | 1.47Å | |
| C31 | N5 | sing | 1.47Å | 1.46Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C30 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C29 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C20 | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | O3 | sing | 1.43Å | 1.44Å | |
| C8 | C34 | doub | 1.41Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.48Å | |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | N6 | doub | 1.30Å | 1.32Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O3 | C26 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.49Å | 1.48Å | |
| C5 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | N6 | sing | 1.36Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C4 | doub | 1.37Å | 1.36Å | Aromatic |
| C2 | O | sing | 1.34Å | 1.35Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C23 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.42Å | 1.42Å | Aromatic |
| O | N | sing | 1.21Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N | doub | 1.30Å | 1.30Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.08Å | 1.08Å | |
| C25 | H45 | sing | 1.08Å | 1.08Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.08Å | 1.08Å | |
| C35 | H49 | sing | 1.08Å | 1.08Å | |
| C7 | H50 | sing | 1.08Å | 1.08Å | |
| C9 | H51 | sing | 1.09Å | 1.10Å | |
| C9 | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C14 | C13 | 121.3° | 120.0° |
| O2 | C14 | N4 | 123.1° | 120.0° |
| O1 | C16 | C15 | 108.7° | 109.5° |
| C16 | O1 | C17 | 112.7° | 114.0° |
| O1 | C16 | H11 | 109.6° | 109.5° |
| O1 | C16 | H12 | 109.7° | 109.5° |
| C16 | C15 | N4 | 112.4° | 109.4° |
| C15 | C16 | H11 | 109.7° | 109.5° |
| C15 | C16 | H12 | 109.7° | 109.5° |
| C16 | C15 | H34 | 108.7° | 109.5° |
| C16 | C15 | H35 | 108.7° | 109.5° |
| O1 | C17 | H13 | 109.5° | 109.5° |
| O1 | C17 | H14 | 109.4° | 109.5° |
| O1 | C17 | H15 | 109.5° | 109.4° |
| C13 | C14 | N4 | 115.5° | 120.0° |
| C14 | C13 | N3 | 114.9° | 109.4° |
| C14 | C13 | H9 | 108.1° | 109.5° |
| C14 | C13 | H10 | 108.1° | 109.5° |
| C14 | N4 | C15 | 123.1° | 120.0° |
| C14 | N4 | H3 | 118.4° | 120.0° |
| C15 | N4 | H3 | 118.5° | 120.0° |
| N4 | C15 | H34 | 108.7° | 109.4° |
| N4 | C15 | H35 | 108.7° | 109.5° |
| C13 | N3 | C18 | 111.2° | 111.0° |
| C13 | N3 | C12 | 111.2° | 111.0° |
| N3 | C13 | H9 | 108.1° | 109.5° |
| N3 | C13 | H10 | 108.1° | 109.5° |
| C18 | N3 | C12 | 108.8° | 110.9° |
| N3 | C18 | C19 | 110.7° | 109.4° |
| N3 | C18 | H36 | 109.2° | 109.5° |
| N3 | C18 | H37 | 109.2° | 109.5° |
| N3 | C12 | C11 | 110.5° | 109.4° |
| N3 | C12 | H1 | 109.2° | 109.5° |
| N3 | C12 | H2 | 109.2° | 109.5° |
| C18 | C19 | N2 | 110.5° | 109.3° |
| C19 | C18 | H36 | 109.2° | 109.5° |
| C19 | C18 | H37 | 109.1° | 109.5° |
| C18 | C19 | H38 | 109.2° | 109.5° |
| C18 | C19 | H39 | 109.2° | 109.5° |
| C12 | C11 | N2 | 110.7° | 109.4° |
| C11 | C12 | H1 | 109.2° | 109.5° |
| C11 | C12 | H2 | 109.2° | 109.5° |
| C12 | C11 | H18 | 109.2° | 109.4° |
| C12 | C11 | H19 | 109.2° | 109.5° |
| C19 | N2 | C11 | 108.8° | 110.9° |
| C19 | N2 | C10 | 112.2° | 111.0° |
| N2 | C19 | H38 | 109.2° | 109.5° |
| N2 | C19 | H39 | 109.2° | 109.5° |
| C31 | N5 | C30 | 110.0° | 111.0° |
| C31 | N5 | C29 | 111.0° | 111.0° |
| N5 | C31 | H27 | 109.5° | 109.5° |
| N5 | C31 | H28 | 109.5° | 109.5° |
| N5 | C31 | H29 | 109.4° | 109.4° |
| C11 | N2 | C10 | 110.3° | 111.0° |
| N2 | C11 | H18 | 109.2° | 109.5° |
| N2 | C11 | H19 | 109.2° | 109.5° |
| N2 | C10 | C9 | 116.7° | 109.5° |
| N2 | C10 | H7 | 107.6° | 109.5° |
| N2 | C10 | H8 | 107.7° | 109.5° |
| C30 | N5 | C29 | 110.8° | 111.0° |
| N5 | C30 | H24 | 109.5° | 109.5° |
| N5 | C30 | H25 | 109.5° | 109.5° |
| N5 | C30 | H26 | 109.4° | 109.4° |
| N5 | C29 | C28 | 114.1° | 109.5° |
| N5 | C29 | H22 | 108.3° | 109.4° |
| N5 | C29 | H23 | 108.3° | 109.5° |
| C10 | C9 | N1 | 112.3° | 109.5° |
| C9 | C10 | H7 | 107.6° | 109.5° |
| C9 | C10 | H8 | 107.6° | 109.4° |
| C10 | C9 | H51 | 108.8° | 109.5° |
| C10 | C9 | H52 | 108.8° | 109.5° |
| C29 | C28 | C27 | 112.6° | 109.5° |
| C29 | C28 | H20 | 108.7° | 109.5° |
| C29 | C28 | H21 | 108.7° | 109.5° |
| C28 | C29 | H22 | 108.3° | 109.5° |
| C28 | C29 | H23 | 108.3° | 109.5° |
| C9 | N1 | C8 | 125.2° | 126.3° |
| C9 | N1 | C20 | 128.2° | 126.3° |
| N1 | C9 | H51 | 108.8° | 109.5° |
| N1 | C9 | H52 | 108.8° | 109.4° |
| C28 | C27 | O3 | 108.3° | 109.4° |
| C27 | C28 | H20 | 108.7° | 109.5° |
| C27 | C28 | H21 | 108.7° | 109.5° |
| C28 | C27 | H46 | 109.8° | 109.5° |
| C28 | C27 | H47 | 109.8° | 109.5° |
| C6 | C7 | C8 | 117.7° | 120.1° |
| C7 | C6 | C5 | 121.2° | 120.5° |
| C7 | C6 | H17 | 119.4° | 119.8° |
| C6 | C7 | H50 | 121.1° | 119.9° |
| C7 | C8 | N1 | 132.2° | 133.9° |
| C7 | C8 | C34 | 122.3° | 120.1° |
| C8 | C7 | H50 | 121.1° | 119.9° |
| C8 | N1 | C20 | 106.5° | 107.4° |
| N1 | C8 | C34 | 105.4° | 105.9° |
| N1 | C20 | C21 | 122.9° | 125.0° |
| N1 | C20 | N6 | 112.9° | 110.1° |
| C6 | C5 | C4 | 119.7° | 119.8° |
| C6 | C5 | C35 | 120.3° | 120.2° |
| C5 | C6 | H17 | 119.4° | 119.7° |
| C27 | O3 | C26 | 118.1° | 117.0° |
| O3 | C27 | H46 | 109.7° | 109.5° |
| O3 | C27 | H47 | 109.8° | 109.5° |
| C8 | C34 | N6 | 110.2° | 107.0° |
| C8 | C34 | C35 | 119.6° | 119.5° |
| C24 | C25 | C26 | 119.8° | 120.0° |
| C25 | C24 | C23 | 121.2° | 120.0° |
| C25 | C24 | H44 | 119.4° | 120.0° |
| C24 | C25 | H45 | 120.1° | 120.0° |
| C25 | C26 | O3 | 119.5° | 120.0° |
| C25 | C26 | C32 | 119.8° | 119.9° |
| C26 | C25 | H45 | 120.1° | 120.0° |
| C3 | C2 | C4 | 134.0° | 126.9° |
| C3 | C2 | O | 116.6° | 126.9° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C24 | C23 | C22 | 120.6° | 119.9° |
| C24 | C23 | C33 | 118.3° | 120.1° |
| C23 | C24 | H44 | 119.4° | 120.0° |
| C21 | C20 | N6 | 124.1° | 125.0° |
| C20 | C21 | C22 | 112.7° | 109.5° |
| C20 | C21 | H40 | 108.6° | 109.5° |
| C20 | C21 | H41 | 108.7° | 109.5° |
| C20 | N6 | C34 | 104.9° | 109.6° |
| C21 | C22 | C23 | 110.8° | 109.5° |
| C22 | C21 | H40 | 108.7° | 109.5° |
| C22 | C21 | H41 | 108.6° | 109.5° |
| C21 | C22 | H42 | 109.2° | 109.4° |
| C21 | C22 | H43 | 109.1° | 109.5° |
| O3 | C26 | C32 | 120.7° | 120.1° |
| C4 | C5 | C35 | 119.9° | 119.9° |
| C5 | C4 | C2 | 126.1° | 128.1° |
| C5 | C4 | C1 | 128.9° | 128.2° |
| C5 | C35 | C34 | 118.9° | 119.6° |
| C5 | C35 | H49 | 120.6° | 120.2° |
| C26 | C32 | C33 | 119.7° | 120.0° |
| C26 | C32 | H30 | 120.2° | 120.0° |
| N6 | C34 | C35 | 130.1° | 133.5° |
| C34 | C35 | H49 | 120.6° | 120.2° |
| C4 | C2 | O | 109.3° | 106.2° |
| C2 | C4 | C1 | 104.9° | 103.7° |
| C2 | O | N | 108.5° | 111.8° |
| C22 | C23 | C33 | 121.2° | 120.0° |
| C23 | C22 | H42 | 109.1° | 109.4° |
| C23 | C22 | H43 | 109.1° | 109.5° |
| C23 | C33 | C32 | 121.2° | 120.1° |
| C23 | C33 | H48 | 119.4° | 120.0° |
| C4 | C1 | N | 111.3° | 106.3° |
| C4 | C1 | C | 129.1° | 126.9° |
| O | N | C1 | 106.0° | 112.0° |
| C33 | C32 | H30 | 120.1° | 120.0° |
| C32 | C33 | H48 | 119.4° | 120.0° |
| N | C1 | C | 119.6° | 126.8° |
| C1 | C | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C1 | C | H33 | 109.4° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H15 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H24 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H27 | C31 | H29 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H31 | C | H32 | 109.5° | 109.5° |
| H31 | C | H33 | 109.5° | 109.5° |
| H32 | C | H33 | 109.5° | 109.5° |
| H34 | C15 | H35 | 109.5° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.5° |
| H38 | C19 | H39 | 109.5° | 109.5° |
| H40 | C21 | H41 | 109.5° | 109.4° |
| H42 | C22 | H43 | 109.5° | 109.5° |
| H46 | C27 | H47 | 109.4° | 109.5° |
| H51 | C9 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C14 | C13 | N4 | 178.8° | 180.0° |
| O2 | C14 | N4 | C15 | 15.9° | 0.0° |
| O2 | C14 | C13 | N3 | 82.0° | 0.0° |
| O2 | C14 | N4 | H3 | 164.1° | 180.0° |
| O2 | C14 | C13 | H9 | 38.8° | 120.0° |
| O2 | C14 | C13 | H10 | 157.2° | 120.0° |
| O1 | C16 | C15 | H11 | 119.9° | 120.0° |
| O1 | C16 | C15 | H12 | 119.9° | 120.1° |
| O1 | C16 | C15 | N4 | 53.3° | 65.0° |
| O1 | C16 | H11 | H12 | 120.4° | 120.0° |
| C16 | O1 | C17 | H13 | 180.0° | 60.0° |
| C16 | O1 | C17 | H14 | 60.0° | 60.0° |
| C16 | O1 | C17 | H15 | 60.0° | 180.0° |
| O1 | C16 | C15 | H34 | 67.1° | 55.0° |
| O1 | C16 | C15 | H35 | 173.8° | 175.0° |
| C15 | C16 | O1 | C17 | 135.2° | 180.0° |
| C16 | C15 | N4 | C14 | 90.1° | 180.0° |
| C16 | C15 | N4 | H34 | 120.4° | 120.0° |
| C16 | C15 | N4 | H35 | 120.4° | 120.0° |
| C16 | C15 | N4 | H3 | 89.9° | 0.0° |
| C15 | C16 | H11 | H12 | 120.4° | 120.0° |
| C16 | C15 | H34 | H35 | 118.6° | 120.0° |
| C17 | O1 | C16 | H11 | 15.3° | 60.0° |
| C17 | O1 | C16 | H12 | 104.9° | 60.0° |
| O1 | C17 | H13 | H14 | 120.0° | 120.1° |
| O1 | C17 | H13 | H15 | 120.0° | 120.0° |
| O1 | C17 | H14 | H15 | 120.0° | 120.0° |
| C13 | C14 | N4 | C15 | 163.0° | 180.0° |
| C14 | C13 | N3 | H9 | 120.8° | 120.0° |
| C14 | C13 | N3 | H10 | 120.8° | 120.0° |
| C14 | C13 | N3 | C18 | 161.0° | 170.0° |
| C14 | C13 | N3 | C12 | 39.6° | 66.2° |
| C13 | C14 | N4 | H3 | 17.1° | 0.0° |
| C14 | C13 | H9 | H10 | 117.5° | 120.0° |
| C14 | N4 | C15 | H3 | 180.0° | 180.0° |
| N4 | C14 | C13 | N3 | 99.2° | 180.0° |
| N4 | C14 | C13 | H9 | 140.1° | 60.0° |
| N4 | C14 | C13 | H10 | 21.7° | 60.0° |
| C14 | N4 | C15 | H34 | 149.5° | 60.0° |
| C14 | N4 | C15 | H35 | 30.3° | 60.0° |
| N4 | C15 | C16 | H11 | 173.2° | 175.0° |
| N4 | C15 | C16 | H12 | 66.6° | 55.0° |
| N4 | C15 | H34 | H35 | 118.7° | 120.0° |
| C13 | N3 | C18 | C12 | 122.8° | 123.9° |
| C13 | N3 | C18 | C19 | 179.2° | 176.8° |
| C13 | N3 | C12 | C11 | 178.7° | 176.9° |
| C13 | N3 | C12 | H1 | 61.1° | 56.9° |
| C13 | N3 | C12 | H2 | 58.6° | 63.2° |
| N3 | C13 | H9 | H10 | 117.5° | 120.0° |
| C13 | N3 | C18 | H36 | 59.0° | 63.2° |
| C13 | N3 | C18 | H37 | 60.7° | 56.8° |
| N3 | C18 | C19 | H36 | 120.2° | 120.0° |
| N3 | C18 | C19 | H37 | 120.2° | 119.9° |
| C18 | N3 | C12 | C11 | 58.5° | 59.3° |
| N3 | C18 | C19 | N2 | 58.9° | 58.4° |
| C18 | N3 | C12 | H1 | 61.6° | 179.3° |
| C18 | N3 | C12 | H2 | 178.7° | 60.6° |
| C18 | N3 | C13 | H9 | 78.2° | 50.0° |
| C18 | N3 | C13 | H10 | 40.2° | 70.0° |
| N3 | C18 | H36 | H37 | 119.5° | 120.0° |
| N3 | C18 | C19 | H38 | 61.3° | 178.4° |
| N3 | C18 | C19 | H39 | 179.0° | 61.5° |
| C12 | N3 | C18 | C19 | 58.1° | 59.3° |
| N3 | C12 | C11 | H1 | 120.2° | 119.9° |
| N3 | C12 | C11 | H2 | 120.2° | 120.0° |
| N3 | C12 | C11 | N2 | 60.0° | 58.4° |
| N3 | C12 | H1 | H2 | 119.5° | 120.1° |
| C12 | N3 | C13 | H9 | 160.4° | 173.8° |
| C12 | N3 | C13 | H10 | 81.2° | 53.8° |
| N3 | C12 | C11 | H18 | 179.8° | 178.4° |
| N3 | C12 | C11 | H19 | 60.2° | 61.6° |
| C12 | N3 | C18 | H36 | 178.3° | 60.7° |
| C12 | N3 | C18 | H37 | 62.1° | 179.3° |
| C18 | C19 | N2 | H38 | 120.1° | 120.0° |
| C18 | C19 | N2 | H39 | 120.2° | 120.0° |
| C18 | C19 | N2 | C11 | 58.0° | 59.3° |
| C18 | C19 | N2 | C10 | 179.6° | 176.8° |
| C19 | C18 | H36 | H37 | 119.4° | 120.1° |
| C18 | C19 | H38 | H39 | 119.5° | 120.1° |
| C12 | C11 | N2 | C19 | 58.7° | 59.3° |
| C12 | C11 | N2 | H18 | 120.2° | 119.9° |
| C12 | C11 | N2 | H19 | 120.2° | 119.9° |
| C12 | C11 | N2 | C10 | 177.8° | 176.8° |
| C11 | C12 | H1 | H2 | 119.5° | 120.0° |
| C12 | C11 | H18 | H19 | 119.5° | 120.0° |
| C19 | N2 | C11 | C10 | 123.5° | 123.9° |
| C19 | N2 | C10 | C9 | 42.4° | 66.2° |
| C19 | N2 | C10 | H7 | 163.5° | 173.8° |
| C19 | N2 | C10 | H8 | 78.6° | 53.8° |
| C19 | N2 | C11 | H18 | 178.9° | 179.3° |
| C19 | N2 | C11 | H19 | 61.5° | 60.6° |
| N2 | C19 | C18 | H36 | 179.1° | 61.5° |
| N2 | C19 | C18 | H37 | 61.3° | 178.4° |
| N2 | C19 | H38 | H39 | 119.5° | 120.0° |
| C31 | N5 | C30 | C29 | 123.1° | 124.0° |
| C31 | N5 | C29 | C28 | 72.6° | 170.0° |
| C31 | N5 | C29 | H22 | 166.7° | 70.0° |
| C31 | N5 | C29 | H23 | 48.1° | 50.0° |
| C31 | N5 | C30 | H24 | 180.0° | 60.0° |
| C31 | N5 | C30 | H25 | 60.0° | 180.0° |
| C31 | N5 | C30 | H26 | 60.0° | 60.0° |
| N5 | C31 | H27 | H28 | 120.0° | 120.0° |
| N5 | C31 | H27 | H29 | 120.0° | 120.0° |
| N5 | C31 | H28 | H29 | 119.9° | 120.0° |
| C11 | N2 | C10 | C9 | 163.9° | 170.0° |
| N2 | C11 | C12 | H1 | 60.2° | 178.3° |
| N2 | C11 | C12 | H2 | 179.8° | 61.6° |
| C11 | N2 | C10 | H7 | 75.1° | 50.0° |
| C11 | N2 | C10 | H8 | 42.8° | 70.0° |
| N2 | C11 | H18 | H19 | 119.5° | 120.1° |
| C11 | N2 | C19 | H38 | 62.1° | 179.3° |
| C11 | N2 | C19 | H39 | 178.2° | 60.6° |
| N2 | C10 | C9 | H7 | 121.0° | 120.0° |
| N2 | C10 | C9 | H8 | 121.0° | 120.0° |
| N2 | C10 | C9 | N1 | 108.6° | 180.0° |
| N2 | C10 | H7 | H8 | 116.7° | 120.0° |
| C10 | N2 | C11 | H18 | 57.6° | 56.8° |
| C10 | N2 | C11 | H19 | 62.1° | 63.3° |
| C10 | N2 | C19 | H38 | 60.3° | 56.8° |
| C10 | N2 | C19 | H39 | 59.4° | 63.2° |
| N2 | C10 | C9 | H51 | 131.0° | 60.0° |
| N2 | C10 | C9 | H52 | 11.8° | 60.1° |
| C30 | N5 | C29 | C28 | 165.0° | 66.0° |
| C30 | N5 | C29 | H22 | 44.3° | 54.0° |
| C30 | N5 | C29 | H23 | 74.4° | 173.9° |
| N5 | C30 | H24 | H25 | 120.0° | 120.0° |
| N5 | C30 | H24 | H26 | 120.0° | 120.0° |
| N5 | C30 | H25 | H26 | 120.0° | 120.0° |
| C30 | N5 | C31 | H27 | 180.0° | 63.9° |
| C30 | N5 | C31 | H28 | 60.0° | 176.0° |
| C30 | N5 | C31 | H29 | 60.0° | 56.0° |
| N5 | C29 | C28 | H22 | 120.7° | 120.0° |
| N5 | C29 | C28 | H23 | 120.7° | 120.1° |
| N5 | C29 | C28 | C27 | 165.1° | 180.0° |
| N5 | C29 | C28 | H20 | 74.4° | 60.0° |
| N5 | C29 | C28 | H21 | 44.7° | 60.0° |
| N5 | C29 | H22 | H23 | 117.9° | 120.0° |
| C29 | N5 | C30 | H24 | 57.0° | 176.0° |
| C29 | N5 | C30 | H25 | 177.0° | 56.0° |
| C29 | N5 | C30 | H26 | 63.1° | 64.0° |
| C29 | N5 | C31 | H27 | 57.0° | 60.0° |
| C29 | N5 | C31 | H28 | 63.0° | 60.0° |
| C29 | N5 | C31 | H29 | 177.0° | 180.0° |
| C10 | C9 | N1 | H51 | 120.4° | 120.0° |
| C10 | C9 | N1 | H52 | 120.4° | 120.0° |
| C10 | C9 | N1 | C8 | 107.5° | 90.0° |
| C10 | C9 | N1 | C20 | 75.1° | 90.0° |
| C9 | C10 | H7 | H8 | 116.7° | 120.0° |
| C10 | C9 | H51 | H52 | 118.7° | 120.0° |
| C29 | C28 | C27 | H20 | 120.5° | 120.0° |
| C29 | C28 | C27 | H21 | 120.5° | 120.0° |
| C29 | C28 | C27 | O3 | 76.8° | 180.0° |
| C29 | C28 | H20 | H21 | 118.6° | 120.0° |
| C28 | C29 | H22 | H23 | 117.9° | 120.0° |
| C29 | C28 | C27 | H46 | 43.0° | 60.0° |
| C29 | C28 | C27 | H47 | 163.3° | 60.0° |
| C9 | N1 | C8 | C7 | 5.9° | 0.0° |
| C9 | N1 | C8 | C20 | 177.9° | 180.0° |
| C9 | N1 | C8 | C34 | 177.2° | 179.8° |
| C9 | N1 | C20 | C21 | 6.9° | 0.0° |
| C9 | N1 | C20 | N6 | 176.5° | 180.0° |
| N1 | C9 | C10 | H7 | 12.4° | 60.0° |
| N1 | C9 | C10 | H8 | 130.3° | 60.0° |
| N1 | C9 | H51 | H52 | 118.7° | 120.0° |
| C28 | C27 | O3 | H46 | 119.8° | 120.0° |
| C28 | C27 | O3 | H47 | 119.8° | 120.0° |
| C28 | C27 | O3 | C26 | 106.3° | 180.0° |
| C27 | C28 | H20 | H21 | 118.6° | 120.0° |
| C27 | C28 | C29 | H22 | 44.5° | 60.0° |
| C27 | C28 | C29 | H23 | 74.2° | 60.0° |
| C28 | C27 | H46 | H47 | 120.5° | 120.0° |
| C6 | C7 | C8 | H50 | 180.0° | 180.0° |
| C6 | C7 | C8 | N1 | 175.1° | 180.0° |
| C7 | C6 | C5 | H17 | 180.0° | 180.0° |
| C6 | C7 | C8 | C34 | 1.4° | 0.2° |
| C7 | C6 | C5 | C4 | 174.6° | 180.0° |
| C7 | C6 | C5 | C35 | 1.7° | 0.2° |
| C7 | C8 | N1 | C34 | 176.9° | 179.8° |
| C7 | C8 | N1 | C20 | 176.3° | 180.0° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C8 | C34 | N6 | 177.4° | 179.8° |
| C7 | C8 | C34 | C35 | 0.8° | 0.2° |
| C8 | C7 | C6 | H17 | 179.9° | 180.0° |
| C8 | N1 | C20 | C21 | 175.3° | 180.0° |
| C8 | N1 | C20 | N6 | 1.3° | 0.0° |
| N1 | C8 | C34 | N6 | 0.1° | 0.4° |
| N1 | C8 | C34 | C35 | 176.5° | 180.0° |
| N1 | C8 | C7 | H50 | 4.9° | 0.0° |
| C8 | N1 | C9 | H51 | 132.1° | 30.0° |
| C8 | N1 | C9 | H52 | 12.9° | 150.0° |
| C20 | N1 | C8 | C34 | 0.7° | 0.2° |
| N1 | C20 | C21 | N6 | 176.2° | 180.0° |
| N1 | C20 | C21 | C22 | 149.9° | 90.0° |
| N1 | C20 | N6 | C34 | 1.3° | 0.3° |
| N1 | C20 | C21 | H40 | 89.6° | 30.0° |
| N1 | C20 | C21 | H41 | 29.5° | 149.9° |
| C20 | N1 | C9 | H51 | 45.3° | 149.9° |
| C20 | N1 | C9 | H52 | 164.5° | 30.0° |
| C6 | C5 | C4 | C35 | 176.3° | 179.8° |
| C6 | C5 | C35 | C34 | 2.3° | 0.3° |
| C6 | C5 | C4 | C2 | 51.0° | 64.8° |
| C6 | C5 | C4 | C1 | 124.6° | 115.2° |
| C6 | C5 | C35 | H49 | 177.7° | 179.7° |
| C5 | C6 | C7 | H50 | 179.8° | 180.0° |
| C27 | O3 | C26 | C25 | 1.7° | 180.0° |
| C27 | O3 | C26 | C32 | 178.9° | 0.0° |
| O3 | C27 | C28 | H20 | 162.7° | 60.0° |
| O3 | C27 | C28 | H21 | 43.7° | 60.0° |
| O3 | C27 | H46 | H47 | 120.5° | 120.0° |
| C8 | C34 | N6 | C20 | 0.9° | 0.4° |
| C8 | C34 | C35 | C5 | 1.1° | 0.0° |
| C8 | C34 | N6 | C35 | 176.1° | 179.5° |
| C8 | C34 | C35 | H49 | 178.9° | 180.0° |
| C34 | C8 | C7 | H50 | 178.6° | 179.8° |
| C24 | C25 | C26 | H45 | 180.0° | 179.2° |
| C25 | C24 | C23 | H44 | 180.0° | 179.5° |
| C24 | C25 | C26 | O3 | 179.3° | 179.4° |
| C24 | C25 | C26 | C32 | 0.1° | 0.6° |
| C25 | C24 | C23 | C22 | 179.8° | 179.4° |
| C25 | C24 | C23 | C33 | 0.2° | 0.6° |
| C26 | C25 | C24 | C23 | 0.1° | 0.8° |
| C25 | C26 | O3 | C32 | 179.5° | 180.0° |
| C25 | C26 | C32 | C33 | 0.3° | 0.0° |
| C25 | C26 | C32 | H30 | 179.7° | 179.7° |
| C26 | C25 | C24 | H44 | 179.9° | 179.7° |
| C3 | C2 | C4 | C5 | 5.5° | 0.1° |
| C3 | C2 | C4 | O | 178.6° | 179.6° |
| C3 | C2 | C4 | C1 | 178.1° | 180.0° |
| C3 | C2 | O | N | 178.4° | 179.8° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 119.9° |
| C24 | C23 | C22 | C21 | 58.8° | 90.0° |
| C24 | C23 | C22 | C33 | 179.6° | 180.0° |
| C24 | C23 | C33 | C32 | 0.0° | 0.0° |
| C24 | C23 | C22 | H42 | 179.0° | 150.0° |
| C24 | C23 | C22 | H43 | 61.4° | 30.0° |
| C23 | C24 | C25 | H45 | 179.9° | 180.0° |
| C24 | C23 | C33 | H48 | 180.0° | 180.0° |
| C20 | C21 | C22 | H40 | 120.5° | 120.0° |
| C20 | C21 | C22 | H41 | 120.5° | 120.1° |
| C21 | C20 | N6 | C34 | 175.2° | 179.8° |
| C20 | C21 | C22 | C23 | 80.6° | 180.0° |
| C20 | C21 | H40 | H41 | 118.5° | 120.0° |
| C20 | C21 | C22 | H42 | 39.6° | 60.0° |
| C20 | C21 | C22 | H43 | 159.2° | 60.0° |
| N6 | C20 | C21 | C22 | 33.8° | 90.0° |
| C20 | N6 | C34 | C35 | 175.3° | 179.9° |
| N6 | C20 | C21 | H40 | 86.7° | 150.0° |
| N6 | C20 | C21 | H41 | 154.3° | 30.1° |
| C21 | C22 | C23 | H42 | 120.2° | 119.9° |
| C21 | C22 | C23 | H43 | 120.2° | 120.1° |
| C21 | C22 | C23 | C33 | 120.8° | 90.0° |
| C22 | C21 | H40 | H41 | 118.5° | 120.0° |
| C21 | C22 | H42 | H43 | 119.4° | 120.0° |
| O3 | C26 | C32 | C33 | 179.2° | 180.0° |
| O3 | C26 | C32 | H30 | 0.8° | 0.3° |
| O3 | C26 | C25 | H45 | 0.7° | 0.2° |
| C26 | O3 | C27 | H46 | 13.5° | 60.0° |
| C26 | O3 | C27 | H47 | 133.8° | 60.0° |
| C4 | C5 | C35 | C34 | 174.0° | 180.0° |
| C5 | C4 | C2 | C1 | 176.4° | 180.0° |
| C5 | C4 | C2 | O | 176.0° | 179.7° |
| C5 | C4 | C1 | N | 176.0° | 179.6° |
| C5 | C4 | C1 | C | 4.5° | 0.1° |
| C4 | C5 | C6 | H17 | 5.4° | 0.0° |
| C4 | C5 | C35 | H49 | 6.0° | 0.0° |
| C5 | C35 | C34 | N6 | 174.8° | 179.4° |
| C5 | C35 | C34 | H49 | 180.0° | 180.0° |
| C35 | C5 | C4 | C2 | 132.7° | 115.0° |
| C35 | C5 | C4 | C1 | 51.7° | 65.0° |
| C35 | C5 | C6 | H17 | 178.3° | 179.7° |
| C26 | C32 | C33 | C23 | 0.2° | 0.2° |
| C26 | C32 | C33 | H30 | 180.0° | 179.8° |
| C32 | C26 | C25 | H45 | 179.9° | 179.8° |
| C26 | C32 | C33 | H48 | 179.8° | 179.8° |
| N6 | C34 | C35 | H49 | 5.2° | 0.6° |
| C4 | C2 | O | N | 0.4° | 0.3° |
| C2 | C4 | C1 | N | 0.3° | 0.4° |
| C2 | C4 | C1 | C | 179.3° | 179.9° |
| C4 | C2 | C3 | H4 | 178.5° | 89.9° |
| C4 | C2 | C3 | H5 | 58.5° | 150.0° |
| C4 | C2 | C3 | H6 | 61.5° | 30.1° |
| O | C2 | C4 | C1 | 0.5° | 0.4° |
| C2 | O | N | C1 | 0.2° | 0.0° |
| O | C2 | C3 | H4 | 0.0° | 89.6° |
| O | C2 | C3 | H5 | 120.0° | 30.5° |
| O | C2 | C3 | H6 | 120.0° | 150.5° |
| C22 | C23 | C33 | C32 | 179.6° | 180.0° |
| C23 | C22 | C21 | H40 | 158.9° | 60.0° |
| C23 | C22 | C21 | H41 | 39.8° | 59.9° |
| C23 | C22 | H42 | H43 | 119.4° | 120.0° |
| C22 | C23 | C24 | H44 | 0.3° | 0.0° |
| C22 | C23 | C33 | H48 | 0.4° | 0.1° |
| C23 | C33 | C32 | H48 | 180.0° | 180.0° |
| C23 | C33 | C32 | H30 | 179.8° | 180.0° |
| C33 | C23 | C22 | H42 | 0.6° | 29.9° |
| C33 | C23 | C22 | H43 | 119.1° | 149.9° |
| C33 | C23 | C24 | H44 | 179.8° | 180.0° |
| C4 | C1 | N | O | 0.1° | 0.3° |
| C4 | C1 | N | C | 179.6° | 179.8° |
| C4 | C1 | C | H31 | 179.5° | 89.7° |
| C4 | C1 | C | H32 | 60.5° | 30.3° |
| C4 | C1 | C | H33 | 59.6° | 150.3° |
| O | N | C1 | C | 179.6° | 180.0° |
| N | C1 | C | H31 | 0.0° | 90.0° |
| N | C1 | C | H32 | 120.0° | 150.0° |
| N | C1 | C | H33 | 120.0° | 30.0° |
| C1 | C | H31 | H32 | 120.0° | 120.0° |
| C1 | C | H31 | H33 | 120.0° | 120.0° |
| C1 | C | H32 | H33 | 120.0° | 120.1° |
| H1 | C12 | C11 | H18 | 60.0° | 61.7° |
| H1 | C12 | C11 | H19 | 179.6° | 58.4° |
| H2 | C12 | C11 | H18 | 59.7° | 58.4° |
| H2 | C12 | C11 | H19 | 60.0° | 178.5° |
| H3 | N4 | C15 | H34 | 30.5° | 120.1° |
| H3 | N4 | C15 | H35 | 149.7° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C10 | C9 | H51 | 108.0° | 180.0° |
| H7 | C10 | C9 | H52 | 132.9° | 60.0° |
| H8 | C10 | C9 | H51 | 9.9° | 60.0° |
| H8 | C10 | C9 | H52 | 109.2° | 180.0° |
| H11 | C16 | C15 | H34 | 52.8° | 65.1° |
| H11 | C16 | C15 | H35 | 66.4° | 55.0° |
| H12 | C16 | C15 | H34 | 173.0° | 175.0° |
| H12 | C16 | C15 | H35 | 53.9° | 65.0° |
| H13 | C17 | H14 | H15 | 120.0° | 119.9° |
| H17 | C6 | C7 | H50 | 0.1° | 0.0° |
| H20 | C28 | C29 | H22 | 164.9° | 60.0° |
| H20 | C28 | C29 | H23 | 46.3° | 180.0° |
| H20 | C28 | C27 | H46 | 77.5° | 180.0° |
| H20 | C28 | C27 | H47 | 42.9° | 60.0° |
| H21 | C28 | C29 | H22 | 76.0° | 180.0° |
| H21 | C28 | C29 | H23 | 165.3° | 60.0° |
| H21 | C28 | C27 | H46 | 163.5° | 60.0° |
| H21 | C28 | C27 | H47 | 76.2° | 180.0° |
| H24 | C30 | H25 | H26 | 120.0° | 120.1° |
| H27 | C31 | H28 | H29 | 120.0° | 120.0° |
| H30 | C32 | C33 | H48 | 0.2° | 0.0° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
| H36 | C18 | C19 | H38 | 58.9° | 58.4° |
| H36 | C18 | C19 | H39 | 60.8° | 178.5° |
| H37 | C18 | C19 | H38 | 178.5° | 61.7° |
| H37 | C18 | C19 | H39 | 58.8° | 58.4° |
| H40 | C21 | C22 | H42 | 80.9° | 179.9° |
| H40 | C21 | C22 | H43 | 38.7° | 60.1° |
| H41 | C21 | C22 | H42 | 160.0° | 60.0° |
| H41 | C21 | C22 | H43 | 80.3° | 180.0° |
| H44 | C24 | C25 | H45 | 0.1° | 0.5° |
