A1AOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C34 | N6 | sing | 1.46Å | 1.46Å | |
| O5 | C5 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | N6 | sing | 1.47Å | 1.47Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| N6 | C35 | sing | 1.35Å | 1.34Å | |
| C8 | N2 | sing | 1.45Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| N1 | C6 | sing | 1.46Å | 1.45Å | |
| O2 | C12 | doub | 1.21Å | 1.22Å | |
| N5 | N2 | sing | 1.39Å | 1.35Å | |
| N5 | C11 | sing | 1.49Å | 1.47Å | |
| N2 | C7 | sing | 1.34Å | 1.34Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | O7 | doub | 1.21Å | 1.22Å | |
| C6 | C21 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.54Å | 1.53Å | |
| C36 | C40 | sing | 1.54Å | 1.52Å | |
| C12 | C11 | sing | 1.50Å | 1.49Å | |
| C12 | O1 | sing | 1.34Å | 1.41Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| O4 | C32 | sing | 1.36Å | 1.36Å | |
| C37 | N7 | sing | 1.47Å | 1.44Å | |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O1 | sing | 1.45Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C40 | N7 | sing | 1.48Å | 1.44Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| N7 | C38 | sing | 1.35Å | 1.31Å | |
| C31 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.49Å | 1.50Å | |
| C38 | O6 | doub | 1.21Å | 1.22Å | |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | N3 | sing | 1.46Å | 1.47Å | |
| C30 | C29 | doub | 1.36Å | 1.40Å | Aromatic |
| C27 | N3 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C19 | sing | 1.47Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.36Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.43Å | 1.35Å | |
| C20 | N4 | trip | 1.14Å | 1.17Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.10Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H42 | sing | 1.10Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.10Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| N1 | H47 | sing | 0.97Å | 1.00Å | |
| N5 | H48 | sing | 1.06Å | 1.00Å | |
| O4 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 109.9° | 109.5° |
| C3 | C2 | C4 | 109.1° | 109.4° |
| C3 | C2 | H18 | 108.4° | 109.4° |
| C2 | C3 | H24 | 109.5° | 109.4° |
| C2 | C3 | H25 | 109.5° | 109.5° |
| C2 | C3 | H26 | 109.4° | 109.4° |
| C1 | C2 | C4 | 112.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H18 | 108.5° | 109.5° |
| C2 | C4 | C5 | 112.2° | 109.5° |
| C2 | C4 | N6 | 112.6° | 109.5° |
| C4 | C2 | H18 | 108.4° | 109.5° |
| C2 | C4 | H39 | 107.5° | 109.5° |
| C34 | N6 | C4 | 120.4° | 120.0° |
| C34 | N6 | C35 | 122.5° | 120.0° |
| N6 | C34 | H30 | 109.5° | 109.5° |
| N6 | C34 | H31 | 109.5° | 109.5° |
| N6 | C34 | H32 | 109.5° | 109.5° |
| O5 | C5 | C4 | 121.2° | 120.0° |
| O5 | C5 | N1 | 122.5° | 120.0° |
| C5 | C4 | N6 | 108.0° | 109.4° |
| C4 | C5 | N1 | 116.3° | 120.0° |
| C5 | C4 | H39 | 107.9° | 109.5° |
| C4 | N6 | C35 | 117.0° | 120.0° |
| N6 | C4 | H39 | 108.3° | 109.5° |
| C5 | N1 | C6 | 122.8° | 120.0° |
| C5 | N1 | H47 | 118.6° | 120.0° |
| N6 | C35 | C36 | 118.2° | 120.0° |
| N6 | C35 | O7 | 121.5° | 120.0° |
| N2 | C8 | C9 | 107.8° | 112.2° |
| C8 | N2 | N5 | 118.9° | 119.2° |
| C8 | N2 | C7 | 122.8° | 121.5° |
| N2 | C8 | H43 | 109.8° | 109.8° |
| N2 | C8 | H44 | 109.9° | 108.8° |
| C8 | C9 | C10 | 109.9° | 109.4° |
| C9 | C8 | H43 | 109.9° | 109.2° |
| C9 | C8 | H44 | 109.9° | 108.6° |
| C8 | C9 | H45 | 109.4° | 110.3° |
| C8 | C9 | H46 | 109.3° | 109.1° |
| N1 | C6 | C7 | 112.2° | 110.8° |
| N1 | C6 | C21 | 110.3° | 110.7° |
| N1 | C6 | H42 | 109.1° | 108.7° |
| C6 | N1 | H47 | 118.6° | 120.0° |
| O2 | C12 | C11 | 126.4° | 120.4° |
| O2 | C12 | O1 | 119.8° | 119.2° |
| N2 | N5 | C11 | 111.5° | 107.0° |
| N5 | N2 | C7 | 118.3° | 119.3° |
| N2 | N5 | H48 | 109.0° | 101.0° |
| N5 | C11 | C12 | 108.7° | 110.3° |
| N5 | C11 | C10 | 112.1° | 109.1° |
| N5 | C11 | H6 | 109.0° | 107.8° |
| C11 | N5 | H48 | 109.0° | 101.3° |
| N2 | C7 | O3 | 122.1° | 120.9° |
| N2 | C7 | C6 | 116.9° | 120.4° |
| O3 | C7 | C6 | 121.0° | 118.6° |
| C7 | C6 | C21 | 108.8° | 109.2° |
| C7 | C6 | H42 | 108.3° | 108.6° |
| C36 | C35 | O7 | 120.3° | 120.0° |
| C35 | C36 | C37 | 111.7° | 113.8° |
| C35 | C36 | C40 | 113.0° | 113.8° |
| C35 | C36 | H33 | 113.1° | 113.0° |
| C6 | C21 | C22 | 112.7° | 111.1° |
| C6 | C21 | H19 | 108.6° | 109.0° |
| C6 | C21 | H20 | 108.7° | 109.4° |
| C21 | C6 | H42 | 108.0° | 108.9° |
| C37 | C36 | C40 | 91.8° | 86.3° |
| C36 | C37 | N7 | 84.5° | 86.1° |
| C37 | C36 | H33 | 112.7° | 113.7° |
| C36 | C37 | H34 | 115.3° | 113.7° |
| C36 | C37 | H35 | 115.3° | 113.7° |
| C36 | C40 | N7 | 84.5° | 86.1° |
| C40 | C36 | H33 | 112.8° | 113.8° |
| C36 | C40 | H40 | 115.3° | 113.8° |
| C36 | C40 | H41 | 115.3° | 113.8° |
| C11 | C12 | O1 | 113.8° | 120.5° |
| C12 | C11 | C10 | 109.9° | 110.3° |
| C12 | C11 | H6 | 108.8° | 109.6° |
| C12 | O1 | C13 | 118.4° | 117.3° |
| C9 | C10 | C11 | 110.3° | 110.3° |
| C9 | C10 | H4 | 109.3° | 109.3° |
| C9 | C10 | H5 | 109.3° | 109.3° |
| C10 | C9 | H45 | 109.4° | 110.4° |
| C10 | C9 | H46 | 109.4° | 109.0° |
| C11 | C10 | H4 | 109.3° | 109.6° |
| C11 | C10 | H5 | 109.3° | 109.6° |
| C10 | C11 | H6 | 108.3° | 109.7° |
| O4 | C32 | C33 | 119.4° | 120.0° |
| O4 | C32 | C31 | 120.1° | 119.9° |
| C32 | O4 | H49 | 109.5° | 114.0° |
| C37 | N7 | C40 | 99.1° | 91.0° |
| C37 | N7 | C38 | 131.7° | 134.5° |
| N7 | C37 | H34 | 115.3° | 113.8° |
| N7 | C37 | H35 | 115.3° | 113.8° |
| C32 | C33 | C22 | 119.9° | 120.4° |
| C33 | C32 | C31 | 120.5° | 120.0° |
| C32 | C33 | H29 | 120.0° | 119.8° |
| C33 | C22 | C21 | 121.5° | 119.8° |
| C33 | C22 | C23 | 119.6° | 119.8° |
| C22 | C33 | H29 | 120.1° | 119.9° |
| C32 | C31 | C24 | 120.0° | 119.8° |
| C32 | C31 | H28 | 120.0° | 120.1° |
| O1 | C13 | C14 | 108.5° | 111.4° |
| O1 | C13 | H7 | 109.7° | 110.0° |
| O1 | C13 | H8 | 109.7° | 109.4° |
| C13 | C14 | C15 | 108.4° | 109.5° |
| C13 | C14 | C16 | 106.6° | 109.2° |
| C13 | C14 | C17 | 111.0° | 108.2° |
| C14 | C13 | H7 | 109.7° | 108.6° |
| C14 | C13 | H8 | 109.7° | 108.9° |
| C40 | N7 | C38 | 129.1° | 134.5° |
| N7 | C40 | H40 | 115.3° | 113.8° |
| N7 | C40 | H41 | 115.3° | 113.7° |
| C21 | C22 | C23 | 118.8° | 120.4° |
| C22 | C21 | H19 | 108.7° | 109.3° |
| C22 | C21 | H20 | 108.6° | 109.4° |
| C22 | C23 | C24 | 121.0° | 120.4° |
| C22 | C23 | H21 | 119.5° | 119.3° |
| N7 | C38 | O6 | 122.2° | 120.0° |
| N7 | C38 | C39 | 112.8° | 120.0° |
| C31 | C24 | C23 | 118.9° | 119.5° |
| C31 | C24 | C25 | 120.4° | 120.5° |
| C24 | C31 | H28 | 120.0° | 120.1° |
| C15 | C14 | C16 | 109.8° | 109.4° |
| C15 | C14 | C17 | 108.8° | 110.6° |
| C14 | C15 | H9 | 109.5° | 109.4° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.4° |
| C16 | C14 | C17 | 112.2° | 109.9° |
| C14 | C16 | H12 | 109.5° | 109.5° |
| C14 | C16 | H13 | 109.5° | 109.5° |
| C14 | C16 | H14 | 109.5° | 109.4° |
| C14 | C17 | N3 | 114.6° | 113.0° |
| C14 | C17 | H15 | 108.2° | 109.2° |
| C14 | C17 | H16 | 108.2° | 108.9° |
| C23 | C24 | C25 | 120.7° | 120.0° |
| C24 | C23 | H21 | 119.5° | 120.3° |
| C24 | C25 | C26 | 119.8° | 119.4° |
| C24 | C25 | C30 | 120.3° | 120.5° |
| O6 | C38 | C39 | 125.0° | 120.0° |
| C38 | C39 | H36 | 109.5° | 109.4° |
| C38 | C39 | H37 | 109.5° | 109.5° |
| C38 | C39 | H38 | 109.4° | 109.5° |
| C26 | C25 | C30 | 119.8° | 120.1° |
| C25 | C26 | C27 | 120.0° | 119.9° |
| C25 | C26 | H22 | 120.0° | 120.2° |
| C25 | C30 | C29 | 121.3° | 120.4° |
| C25 | C30 | H27 | 119.4° | 120.3° |
| C26 | C27 | N3 | 132.1° | 133.0° |
| C26 | C27 | C28 | 119.3° | 119.3° |
| C27 | C26 | H22 | 120.0° | 119.9° |
| C17 | N3 | C27 | 127.4° | 125.7° |
| C17 | N3 | C18 | 122.9° | 124.4° |
| N3 | C17 | H15 | 108.2° | 108.9° |
| N3 | C17 | H16 | 108.2° | 108.6° |
| C30 | C29 | C28 | 117.8° | 120.0° |
| C30 | C29 | H23 | 121.1° | 120.0° |
| C29 | C30 | H27 | 119.4° | 119.3° |
| N3 | C27 | C28 | 108.7° | 107.7° |
| C27 | N3 | C18 | 109.8° | 110.0° |
| C27 | C28 | C29 | 121.8° | 120.3° |
| C27 | C28 | C19 | 104.8° | 105.9° |
| N3 | C18 | C19 | 106.9° | 109.9° |
| N3 | C18 | H17 | 126.5° | 125.0° |
| C29 | C28 | C19 | 133.4° | 133.8° |
| C28 | C29 | H23 | 121.1° | 120.1° |
| C28 | C19 | C18 | 109.9° | 106.5° |
| C28 | C19 | C20 | 125.8° | 126.6° |
| C18 | C19 | C20 | 124.4° | 127.0° |
| C19 | C18 | H17 | 126.6° | 125.1° |
| C19 | C20 | N4 | 178.2° | 179.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H4 | C10 | H5 | 109.4° | 108.8° |
| H7 | C13 | H8 | 109.5° | 108.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.4° | 108.1° |
| H19 | C21 | H20 | 109.5° | 108.6° |
| H24 | C3 | H25 | 109.5° | 109.5° |
| H24 | C3 | H26 | 109.5° | 109.5° |
| H25 | C3 | H26 | 109.4° | 109.5° |
| H30 | C34 | H31 | 109.5° | 109.4° |
| H30 | C34 | H32 | 109.5° | 109.4° |
| H31 | C34 | H32 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.4° | 113.0° |
| H36 | C39 | H37 | 109.5° | 109.5° |
| H36 | C39 | H38 | 109.5° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.5° |
| H40 | C40 | H41 | 109.5° | 113.0° |
| H43 | C8 | H44 | 109.5° | 108.1° |
| H45 | C9 | H46 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | C4 | 121.7° | 120.0° |
| C3 | C2 | C1 | H18 | 118.4° | 120.0° |
| C3 | C2 | C4 | H18 | 117.9° | 119.9° |
| C3 | C2 | C4 | C5 | 59.8° | 174.3° |
| C3 | C2 | C4 | N6 | 178.1° | 54.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.3° |
| C3 | C2 | C1 | H2 | 60.0° | 59.3° |
| C3 | C2 | C1 | H3 | 60.0° | 60.6° |
| C2 | C3 | H24 | H25 | 120.1° | 120.0° |
| C2 | C3 | H24 | H26 | 120.0° | 119.9° |
| C2 | C3 | H25 | H26 | 120.0° | 120.0° |
| C3 | C2 | C4 | H39 | 58.8° | 65.7° |
| C1 | C2 | C4 | H18 | 120.0° | 120.1° |
| C1 | C2 | C4 | C5 | 178.0° | 65.7° |
| C1 | C2 | C4 | N6 | 55.9° | 174.3° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H24 | 180.0° | 55.6° |
| C1 | C2 | C3 | H25 | 60.0° | 175.6° |
| C1 | C2 | C3 | H26 | 60.0° | 64.3° |
| C1 | C2 | C4 | H39 | 63.4° | 54.3° |
| C2 | C4 | N6 | C34 | 46.6° | 54.8° |
| C2 | C4 | C5 | O5 | 57.6° | 105.5° |
| C2 | C4 | C5 | N6 | 124.8° | 120.0° |
| C2 | C4 | C5 | H39 | 118.3° | 120.0° |
| C2 | C4 | N6 | H39 | 118.8° | 120.0° |
| C2 | C4 | C5 | N1 | 124.7° | 74.5° |
| C2 | C4 | N6 | C35 | 137.2° | 125.2° |
| C4 | C2 | C1 | H1 | 58.3° | 59.4° |
| C4 | C2 | C1 | H2 | 178.3° | 60.6° |
| C4 | C2 | C1 | H3 | 61.7° | 179.4° |
| C4 | C2 | C3 | H24 | 56.3° | 64.4° |
| C4 | C2 | C3 | H25 | 63.8° | 55.6° |
| C4 | C2 | C3 | H26 | 176.3° | 175.7° |
| C34 | N6 | C4 | C5 | 77.9° | 65.2° |
| C34 | N6 | C4 | C35 | 176.2° | 180.0° |
| C34 | N6 | C35 | C36 | 8.1° | 0.0° |
| C34 | N6 | C35 | O7 | 171.9° | 180.0° |
| N6 | C34 | H30 | H31 | 120.0° | 120.0° |
| N6 | C34 | H30 | H32 | 120.0° | 120.0° |
| N6 | C34 | H31 | H32 | 120.0° | 120.1° |
| C34 | N6 | C4 | H39 | 165.4° | 174.8° |
| O5 | C5 | C4 | N1 | 177.7° | 180.0° |
| O5 | C5 | C4 | N6 | 67.2° | 14.5° |
| O5 | C5 | N1 | C6 | 8.5° | 5.3° |
| O5 | C5 | C4 | H39 | 175.9° | 134.5° |
| O5 | C5 | N1 | H47 | 171.5° | 174.6° |
| C5 | C4 | N6 | H39 | 116.7° | 120.0° |
| C5 | C4 | N6 | C35 | 98.3° | 114.8° |
| C4 | C5 | N1 | C6 | 169.1° | 174.8° |
| C5 | C4 | C2 | H18 | 58.1° | 54.3° |
| C4 | C5 | N1 | H47 | 10.9° | 5.3° |
| N6 | C4 | C5 | N1 | 110.5° | 165.6° |
| C4 | N6 | C35 | C36 | 175.8° | 180.0° |
| C4 | N6 | C35 | O7 | 4.2° | 0.0° |
| N6 | C4 | C2 | H18 | 64.1° | 65.6° |
| C4 | N6 | C34 | H30 | 180.0° | 93.9° |
| C4 | N6 | C34 | H31 | 60.0° | 146.1° |
| C4 | N6 | C34 | H32 | 60.0° | 26.0° |
| C5 | N1 | C6 | H47 | 180.0° | 179.9° |
| C5 | N1 | C6 | C7 | 116.7° | 154.3° |
| C5 | N1 | C6 | C21 | 121.8° | 84.4° |
| N1 | C5 | C4 | H39 | 6.4° | 45.6° |
| C5 | N1 | C6 | H42 | 3.3° | 35.1° |
| N6 | C35 | C36 | O7 | 180.0° | 180.0° |
| N6 | C35 | C36 | C37 | 133.6° | 180.0° |
| N6 | C35 | C36 | C40 | 124.5° | 83.3° |
| C35 | N6 | C34 | H30 | 4.1° | 86.1° |
| C35 | N6 | C34 | H31 | 115.9° | 33.9° |
| C35 | N6 | C34 | H32 | 124.1° | 154.0° |
| N6 | C35 | C36 | H33 | 5.2° | 48.4° |
| C35 | N6 | C4 | H39 | 18.4° | 5.2° |
| N2 | C8 | C9 | H43 | 119.7° | 122.0° |
| N2 | C8 | C9 | H44 | 119.7° | 120.3° |
| C8 | N2 | N5 | C7 | 178.0° | 179.6° |
| C8 | N2 | N5 | C11 | 55.6° | 58.2° |
| C8 | N2 | C7 | O3 | 1.6° | 53.4° |
| C8 | N2 | C7 | C6 | 179.0° | 123.5° |
| N2 | C8 | C9 | C10 | 53.5° | 44.1° |
| N2 | C8 | H43 | H44 | 120.7° | 118.6° |
| N2 | C8 | C9 | H45 | 66.6° | 77.4° |
| N2 | C8 | C9 | H46 | 173.5° | 163.3° |
| C8 | N2 | N5 | H48 | 64.7° | 163.7° |
| C9 | C8 | N2 | N5 | 56.9° | 50.5° |
| C9 | C8 | N2 | C7 | 125.1° | 129.0° |
| C8 | C9 | C10 | H45 | 120.1° | 121.5° |
| C8 | C9 | C10 | H46 | 120.0° | 119.3° |
| C8 | C9 | C10 | C11 | 54.3° | 52.1° |
| C8 | C9 | C10 | H4 | 174.4° | 172.7° |
| C8 | C9 | C10 | H5 | 65.8° | 68.4° |
| C9 | C8 | H43 | H44 | 120.8° | 117.9° |
| C8 | C9 | H45 | H46 | 119.8° | 119.6° |
| N1 | C6 | C7 | N2 | 152.4° | 88.1° |
| N1 | C6 | C7 | O3 | 28.1° | 95.0° |
| N1 | C6 | C7 | C21 | 122.3° | 122.1° |
| N1 | C6 | C7 | H42 | 120.5° | 119.3° |
| N1 | C6 | C21 | H42 | 119.2° | 119.5° |
| N1 | C6 | C21 | C22 | 91.4° | 14.7° |
| N1 | C6 | C21 | H19 | 29.1° | 105.8° |
| N1 | C6 | C21 | H20 | 148.2° | 135.6° |
| O2 | C12 | C11 | N5 | 6.8° | 60.2° |
| O2 | C12 | C11 | O1 | 179.6° | 179.1° |
| O2 | C12 | C11 | C10 | 116.3° | 60.5° |
| O2 | C12 | O1 | C13 | 1.3° | 12.8° |
| O2 | C12 | C11 | H6 | 125.3° | 178.7° |
| N2 | N5 | C11 | H48 | 120.3° | 105.3° |
| N5 | N2 | C7 | O3 | 179.5° | 126.2° |
| N5 | N2 | C7 | C6 | 1.0° | 56.9° |
| N2 | N5 | C11 | C12 | 172.7° | 59.5° |
| N2 | N5 | C11 | C10 | 51.1° | 61.8° |
| N2 | N5 | C11 | H6 | 68.8° | 179.2° |
| N5 | N2 | C8 | H43 | 176.7° | 172.2° |
| N5 | N2 | C8 | H44 | 62.8° | 69.6° |
| C11 | N5 | N2 | C7 | 126.3° | 121.4° |
| N5 | C11 | C12 | C10 | 123.0° | 120.6° |
| N5 | C11 | C12 | H6 | 118.6° | 118.6° |
| N5 | C11 | C12 | O1 | 172.8° | 118.9° |
| N5 | C11 | C10 | C9 | 52.4° | 62.3° |
| N5 | C11 | C10 | H6 | 120.3° | 117.9° |
| N5 | C11 | C10 | H4 | 172.5° | 177.3° |
| N5 | C11 | C10 | H5 | 67.8° | 58.1° |
| N2 | C7 | O3 | C6 | 179.4° | 176.9° |
| N2 | C7 | C6 | C21 | 85.3° | 149.8° |
| N2 | C7 | C6 | H42 | 31.9° | 31.2° |
| C7 | N2 | C8 | H43 | 5.4° | 7.4° |
| C7 | N2 | C8 | H44 | 115.1° | 110.8° |
| C7 | N2 | N5 | H48 | 113.3° | 15.9° |
| O3 | C7 | C6 | C21 | 94.2° | 27.2° |
| O3 | C7 | C6 | H42 | 148.6° | 145.7° |
| C7 | C6 | C21 | H42 | 117.4° | 118.4° |
| C7 | C6 | C21 | C22 | 145.2° | 107.5° |
| C7 | C6 | C21 | H19 | 94.3° | 132.0° |
| C7 | C6 | C21 | H20 | 24.7° | 13.4° |
| C7 | C6 | N1 | H47 | 63.3° | 25.6° |
| C35 | C36 | C37 | C40 | 115.7° | 114.4° |
| C35 | C36 | C37 | H33 | 128.6° | 131.2° |
| C35 | C36 | C40 | H33 | 129.8° | 131.3° |
| C35 | C36 | C37 | N7 | 117.4° | 138.0° |
| C35 | C36 | C40 | N7 | 116.3° | 138.0° |
| C35 | C36 | C37 | H34 | 127.1° | 107.7° |
| C35 | C36 | C37 | H35 | 2.0° | 23.6° |
| C35 | C36 | C40 | H40 | 0.8° | 23.7° |
| C35 | C36 | C40 | H41 | 128.3° | 107.8° |
| O7 | C35 | C36 | C37 | 46.4° | 0.0° |
| O7 | C35 | C36 | C40 | 55.5° | 96.7° |
| O7 | C35 | C36 | H33 | 174.8° | 131.6° |
| C6 | C21 | C22 | C33 | 54.9° | 124.5° |
| C6 | C21 | C22 | H19 | 120.5° | 120.4° |
| C6 | C21 | C22 | H20 | 120.5° | 120.9° |
| C6 | C21 | C22 | C23 | 124.8° | 56.1° |
| C6 | C21 | H19 | H20 | 118.5° | 119.1° |
| C21 | C6 | N1 | H47 | 58.2° | 95.7° |
| C37 | C36 | C40 | H33 | 115.6° | 114.3° |
| C36 | C37 | N7 | H34 | 115.4° | 114.3° |
| C36 | C37 | N7 | H35 | 115.4° | 114.3° |
| C37 | C36 | C40 | N7 | 1.7° | 23.6° |
| C36 | C37 | N7 | C38 | 175.4° | 155.4° |
| C36 | C37 | H34 | H35 | 131.9° | 131.7° |
| C37 | C36 | C40 | H40 | 113.7° | 90.7° |
| C37 | C36 | C40 | H41 | 117.2° | 137.9° |
| C36 | C40 | N7 | H40 | 115.4° | 114.3° |
| C36 | C40 | N7 | H41 | 115.4° | 114.3° |
| C36 | C40 | N7 | C38 | 175.5° | 155.4° |
| C40 | C36 | C37 | H34 | 117.2° | 137.9° |
| C40 | C36 | C37 | H35 | 113.7° | 90.8° |
| C36 | C40 | H40 | H41 | 131.9° | 131.8° |
| C12 | C11 | C10 | C9 | 173.4° | 59.1° |
| C12 | C11 | C10 | H6 | 118.7° | 120.7° |
| C11 | C12 | O1 | C13 | 179.1° | 168.2° |
| C12 | C11 | C10 | H4 | 66.5° | 61.3° |
| C12 | C11 | C10 | H5 | 53.2° | 179.4° |
| C12 | C11 | N5 | H48 | 52.4° | 45.8° |
| O1 | C12 | C11 | C10 | 64.2° | 120.4° |
| C12 | O1 | C13 | C14 | 172.4° | 119.9° |
| O1 | C12 | C11 | H6 | 54.2° | 0.4° |
| C12 | O1 | C13 | H7 | 52.6° | 0.6° |
| C12 | O1 | C13 | H8 | 67.8° | 119.6° |
| C9 | C10 | C11 | H4 | 120.1° | 120.4° |
| C9 | C10 | C11 | H5 | 120.2° | 120.3° |
| C9 | C10 | H4 | H5 | 119.7° | 119.3° |
| C9 | C10 | C11 | H6 | 67.9° | 179.8° |
| C10 | C9 | C8 | H43 | 173.2° | 166.1° |
| C10 | C9 | C8 | H44 | 66.3° | 76.2° |
| C10 | C9 | H45 | H46 | 119.8° | 119.5° |
| C11 | C10 | H4 | H5 | 119.6° | 119.7° |
| C11 | C10 | C9 | H45 | 65.8° | 69.4° |
| C11 | C10 | C9 | H46 | 174.3° | 171.4° |
| C10 | C11 | N5 | H48 | 69.3° | 167.1° |
| O4 | C32 | C33 | C31 | 179.7° | 179.8° |
| O4 | C32 | C33 | C22 | 179.2° | 179.2° |
| O4 | C32 | C31 | C24 | 179.4° | 179.4° |
| O4 | C32 | C31 | H28 | 0.6° | 0.1° |
| O4 | C32 | C33 | H29 | 0.8° | 1.1° |
| C37 | N7 | C40 | C38 | 177.3° | 180.0° |
| C37 | N7 | C38 | O6 | 2.2° | 0.0° |
| C37 | N7 | C38 | C39 | 176.9° | 180.0° |
| N7 | C37 | C36 | H33 | 114.0° | 90.8° |
| N7 | C37 | H34 | H35 | 132.0° | 131.9° |
| C37 | N7 | C40 | H40 | 113.6° | 89.7° |
| C37 | N7 | C40 | H41 | 117.3° | 139.0° |
| C32 | C33 | C22 | H29 | 180.0° | 179.7° |
| C32 | C33 | C22 | C21 | 179.5° | 179.1° |
| C32 | C33 | C22 | C23 | 0.3° | 0.3° |
| C33 | C32 | C31 | C24 | 0.2° | 0.4° |
| C33 | C32 | C31 | H28 | 179.8° | 179.8° |
| C33 | C32 | O4 | H49 | 180.0° | 90.1° |
| C22 | C33 | C32 | C31 | 0.4° | 0.9° |
| C33 | C22 | C21 | C23 | 179.7° | 179.5° |
| C33 | C22 | C23 | C24 | 0.1° | 1.6° |
| C33 | C22 | C21 | H19 | 65.6° | 4.1° |
| C33 | C22 | C21 | H20 | 175.4° | 114.7° |
| C33 | C22 | C23 | H21 | 179.9° | 177.8° |
| C32 | C31 | C24 | H28 | 180.0° | 179.3° |
| C32 | C31 | C24 | C23 | 0.2° | 2.3° |
| C32 | C31 | C24 | C25 | 179.3° | 177.2° |
| C31 | C32 | C33 | H29 | 179.6° | 178.8° |
| C31 | C32 | O4 | H49 | 0.3° | 90.0° |
| O1 | C13 | C14 | H7 | 119.8° | 121.3° |
| O1 | C13 | C14 | H8 | 119.8° | 120.7° |
| O1 | C13 | C14 | C15 | 64.5° | 13.3° |
| O1 | C13 | C14 | C16 | 177.3° | 106.4° |
| O1 | C13 | C14 | C17 | 54.9° | 134.0° |
| O1 | C13 | H7 | H8 | 120.5° | 119.6° |
| C13 | C14 | C15 | C16 | 116.1° | 119.6° |
| C13 | C14 | C15 | C17 | 120.8° | 119.2° |
| C13 | C14 | C16 | C17 | 121.7° | 118.6° |
| C13 | C14 | C17 | N3 | 77.1° | 169.2° |
| C14 | C13 | H7 | H8 | 120.5° | 118.2° |
| C13 | C14 | C15 | H9 | 180.0° | 63.9° |
| C13 | C14 | C15 | H10 | 60.0° | 176.1° |
| C13 | C14 | C15 | H11 | 60.0° | 56.1° |
| C13 | C14 | C16 | H12 | 180.0° | 60.0° |
| C13 | C14 | C16 | H13 | 60.0° | 180.0° |
| C13 | C14 | C16 | H14 | 60.0° | 60.0° |
| C13 | C14 | C17 | H15 | 43.7° | 69.4° |
| C13 | C14 | C17 | H16 | 162.2° | 48.5° |
| C40 | N7 | C38 | O6 | 178.7° | 180.0° |
| C40 | N7 | C38 | C39 | 0.4° | 0.0° |
| N7 | C40 | C36 | H33 | 113.9° | 90.7° |
| C40 | N7 | C37 | H34 | 117.2° | 138.9° |
| C40 | N7 | C37 | H35 | 113.6° | 89.6° |
| N7 | C40 | H40 | H41 | 131.9° | 131.7° |
| C21 | C22 | C23 | C24 | 179.9° | 178.9° |
| C22 | C21 | H19 | H20 | 118.5° | 119.3° |
| C21 | C22 | C23 | H21 | 0.2° | 1.7° |
| C21 | C22 | C33 | H29 | 0.5° | 1.2° |
| C22 | C21 | C6 | H42 | 27.8° | 134.2° |
| C22 | C23 | C24 | C31 | 0.4° | 2.9° |
| C22 | C23 | C24 | H21 | 180.0° | 179.4° |
| C22 | C23 | C24 | C25 | 179.4° | 176.6° |
| C23 | C22 | C21 | H19 | 114.7° | 176.4° |
| C23 | C22 | C21 | H20 | 4.3° | 64.8° |
| C23 | C22 | C33 | H29 | 179.8° | 179.4° |
| N7 | C38 | O6 | C39 | 179.0° | 180.0° |
| C38 | N7 | C37 | H34 | 60.0° | 41.1° |
| C38 | N7 | C37 | H35 | 69.2° | 90.4° |
| N7 | C38 | C39 | H36 | 179.1° | 90.0° |
| N7 | C38 | C39 | H37 | 60.9° | 30.0° |
| N7 | C38 | C39 | H38 | 59.1° | 150.0° |
| C38 | N7 | C40 | H40 | 69.1° | 90.3° |
| C38 | N7 | C40 | H41 | 60.0° | 41.0° |
| C31 | C24 | C23 | C25 | 179.1° | 179.5° |
| C31 | C24 | C25 | C26 | 146.7° | 176.5° |
| C31 | C24 | C25 | C30 | 31.2° | 4.1° |
| C31 | C24 | C23 | H21 | 179.7° | 176.5° |
| C15 | C14 | C16 | C17 | 121.1° | 121.6° |
| C15 | C14 | C17 | N3 | 163.7° | 49.3° |
| C15 | C14 | C13 | H7 | 55.3° | 108.0° |
| C15 | C14 | C13 | H8 | 175.7° | 134.0° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H11 | 120.0° | 119.9° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C15 | C14 | C16 | H12 | 62.8° | 179.8° |
| C15 | C14 | C16 | H13 | 57.2° | 60.2° |
| C15 | C14 | C16 | H14 | 177.2° | 59.8° |
| C15 | C14 | C17 | H15 | 75.5° | 170.6° |
| C15 | C14 | C17 | H16 | 43.0° | 71.5° |
| C16 | C14 | C17 | N3 | 42.0° | 71.6° |
| C16 | C14 | C13 | H7 | 62.9° | 132.3° |
| C16 | C14 | C13 | H8 | 57.5° | 14.3° |
| C16 | C14 | C15 | H9 | 63.9° | 55.7° |
| C16 | C14 | C15 | H10 | 176.1° | 64.3° |
| C16 | C14 | C15 | H11 | 56.1° | 175.7° |
| C14 | C16 | H12 | H13 | 120.0° | 120.0° |
| C14 | C16 | H12 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H14 | 120.0° | 120.0° |
| C16 | C14 | C17 | H15 | 162.8° | 49.8° |
| C16 | C14 | C17 | H16 | 78.7° | 167.6° |
| C14 | C17 | N3 | H15 | 120.8° | 121.6° |
| C14 | C17 | N3 | H16 | 120.8° | 120.9° |
| C14 | C17 | N3 | C27 | 85.7° | 92.6° |
| C14 | C17 | N3 | C18 | 94.0° | 88.9° |
| C17 | C14 | C13 | H7 | 174.7° | 12.7° |
| C17 | C14 | C13 | H8 | 64.9° | 105.3° |
| C17 | C14 | C15 | H9 | 59.2° | 176.9° |
| C17 | C14 | C15 | H10 | 60.8° | 56.9° |
| C17 | C14 | C15 | H11 | 179.2° | 63.1° |
| C17 | C14 | C16 | H12 | 58.3° | 58.6° |
| C17 | C14 | C16 | H13 | 178.3° | 61.4° |
| C17 | C14 | C16 | H14 | 61.7° | 178.6° |
| C14 | C17 | H15 | H16 | 117.7° | 118.3° |
| C23 | C24 | C25 | C26 | 32.3° | 3.0° |
| C23 | C24 | C25 | C30 | 149.8° | 176.4° |
| C23 | C24 | C31 | H28 | 179.8° | 178.4° |
| C24 | C25 | C26 | C30 | 177.9° | 179.5° |
| C24 | C25 | C26 | C27 | 178.8° | 177.2° |
| C24 | C25 | C30 | C29 | 179.5° | 178.2° |
| C25 | C24 | C23 | H21 | 0.6° | 4.0° |
| C24 | C25 | C26 | H22 | 1.2° | 3.9° |
| C24 | C25 | C30 | H27 | 0.6° | 2.5° |
| C25 | C24 | C31 | H28 | 0.7° | 2.1° |
| O6 | C38 | C39 | H36 | 0.0° | 90.0° |
| O6 | C38 | C39 | H37 | 120.0° | 150.0° |
| O6 | C38 | C39 | H38 | 120.0° | 30.0° |
| C38 | C39 | H36 | H37 | 120.0° | 120.0° |
| C38 | C39 | H36 | H38 | 120.0° | 120.0° |
| C38 | C39 | H37 | H38 | 120.0° | 120.0° |
| C25 | C26 | C27 | H22 | 180.0° | 178.9° |
| C26 | C25 | C30 | C29 | 1.6° | 2.3° |
| C25 | C26 | C27 | N3 | 179.8° | 179.3° |
| C25 | C26 | C27 | C28 | 0.1° | 1.7° |
| C26 | C25 | C30 | H27 | 178.5° | 177.0° |
| C30 | C25 | C26 | C27 | 0.9° | 3.4° |
| C25 | C30 | C29 | H27 | 180.0° | 179.3° |
| C25 | C30 | C29 | C28 | 1.1° | 0.4° |
| C30 | C25 | C26 | H22 | 179.1° | 175.5° |
| C25 | C30 | C29 | H23 | 178.9° | 179.9° |
| C26 | C27 | N3 | C17 | 0.9° | 3.1° |
| C26 | C27 | N3 | C28 | 179.7° | 179.1° |
| C26 | C27 | N3 | C18 | 179.4° | 178.2° |
| C26 | C27 | C28 | C29 | 0.6° | 1.1° |
| C26 | C27 | C28 | C19 | 180.0° | 178.7° |
| C17 | N3 | C27 | C18 | 179.7° | 178.7° |
| C17 | N3 | C27 | C28 | 179.4° | 176.0° |
| C17 | N3 | C18 | C19 | 179.0° | 176.4° |
| N3 | C17 | H15 | H16 | 117.6° | 117.9° |
| C17 | N3 | C18 | H17 | 1.0° | 3.2° |
| C30 | C29 | C28 | C27 | 0.0° | 2.2° |
| C30 | C29 | C28 | H23 | 180.0° | 179.7° |
| C30 | C29 | C28 | C19 | 179.2° | 177.6° |
| N3 | C27 | C28 | C29 | 179.6° | 178.2° |
| N3 | C27 | C28 | C19 | 0.2° | 2.0° |
| C27 | N3 | C18 | C19 | 0.7° | 2.3° |
| C27 | N3 | C17 | H15 | 35.1° | 145.8° |
| C27 | N3 | C17 | H16 | 153.6° | 28.3° |
| C27 | N3 | C18 | H17 | 179.3° | 178.1° |
| N3 | C27 | C26 | H22 | 0.2° | 1.8° |
| C28 | C27 | N3 | C18 | 0.3° | 2.7° |
| C27 | C28 | C29 | C19 | 179.2° | 179.8° |
| C27 | C28 | C19 | C18 | 0.6° | 0.6° |
| C27 | C28 | C19 | C20 | 179.2° | 179.5° |
| C28 | C27 | C26 | H22 | 179.9° | 177.3° |
| C27 | C28 | C29 | H23 | 180.0° | 178.2° |
| N3 | C18 | C19 | C28 | 0.8° | 1.0° |
| N3 | C18 | C19 | H17 | 180.0° | 179.6° |
| N3 | C18 | C19 | C20 | 179.4° | 178.9° |
| C18 | N3 | C17 | H15 | 145.2° | 32.7° |
| C18 | N3 | C17 | H16 | 26.8° | 150.2° |
| C29 | C28 | C19 | C18 | 180.0° | 179.5° |
| C29 | C28 | C19 | C20 | 1.5° | 0.3° |
| C28 | C29 | C30 | H27 | 178.9° | 179.7° |
| C28 | C19 | C18 | C20 | 178.5° | 179.9° |
| C28 | C19 | C20 | N4 | 58.3° | 117.2° |
| C28 | C19 | C18 | H17 | 179.2° | 179.4° |
| C19 | C28 | C29 | H23 | 0.8° | 2.1° |
| C18 | C19 | C20 | N4 | 120.0° | 62.9° |
| C20 | C19 | C18 | H17 | 0.6° | 0.7° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H1 | C1 | C2 | H18 | 61.6° | 60.7° |
| H2 | C1 | C2 | H18 | 58.4° | 179.3° |
| H3 | C1 | C2 | H18 | 178.4° | 59.4° |
| H4 | C10 | C11 | H6 | 52.2° | 59.4° |
| H4 | C10 | C9 | H45 | 54.4° | 51.2° |
| H4 | C10 | C9 | H46 | 65.5° | 68.1° |
| H5 | C10 | C11 | H6 | 171.9° | 59.8° |
| H5 | C10 | C9 | H45 | 174.1° | 170.1° |
| H5 | C10 | C9 | H46 | 54.2° | 50.9° |
| H6 | C11 | N5 | H48 | 170.9° | 73.9° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H18 | C2 | C3 | H24 | 61.5° | 175.6° |
| H18 | C2 | C3 | H25 | 178.4° | 64.4° |
| H18 | C2 | C3 | H26 | 58.5° | 55.7° |
| H18 | C2 | C4 | H39 | 176.6° | 174.4° |
| H19 | C21 | C6 | H42 | 148.3° | 13.6° |
| H20 | C21 | C6 | H42 | 92.7° | 105.0° |
| H23 | C29 | C30 | H27 | 1.1° | 0.6° |
| H24 | C3 | H25 | H26 | 120.0° | 120.0° |
| H30 | C34 | H31 | H32 | 120.0° | 119.9° |
| H33 | C36 | C37 | H34 | 1.5° | 23.5° |
| H33 | C36 | C37 | H35 | 130.6° | 154.8° |
| H33 | C36 | C40 | H40 | 130.6° | 155.0° |
| H33 | C36 | C40 | H41 | 1.5° | 23.5° |
| H36 | C39 | H37 | H38 | 120.0° | 120.0° |
| H42 | C6 | N1 | H47 | 176.7° | 144.8° |
| H43 | C8 | C9 | H45 | 53.1° | 44.6° |
| H43 | C8 | C9 | H46 | 66.7° | 74.7° |
| H44 | C8 | C9 | H45 | 173.7° | 162.3° |
| H44 | C8 | C9 | H46 | 53.8° | 43.0° |
