A1AZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.46Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.46Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.45Å | Aromatic |
| C2 | O11 | sing | 1.36Å | 1.48Å | |
| C3 | C4 | sing | 1.39Å | 1.46Å | Aromatic |
| C3 | O10 | sing | 1.36Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.46Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.62Å | |
| C7 | C8 | sing | 1.53Å | 1.62Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| C9 | O5 | sing | 1.45Å | 1.47Å | |
| C9 | C10 | sing | 1.51Å | 1.57Å | |
| C10 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.46Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.47Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.47Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.46Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| C14 | O1 | sing | 1.36Å | 1.47Å | |
| O1 | C16 | sing | 1.43Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.62Å | |
| C17 | O2 | doub | 1.22Å | 1.24Å | |
| C17 | N1 | sing | 1.33Å | 1.53Å | |
| N1 | C22 | sing | 1.47Å | 1.53Å | |
| N1 | C18 | sing | 1.48Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.62Å | |
| C19 | C20 | sing | 1.51Å | 1.59Å | |
| C20 | C21 | sing | 1.51Å | 1.59Å | |
| C20 | C39 | doub | 1.31Å | 1.38Å | |
| C22 | C21 | sing | 1.54Å | 1.59Å | |
| C22 | C23 | sing | 1.48Å | 1.58Å | |
| C23 | O3 | doub | 1.21Å | 1.23Å | |
| C23 | N2 | sing | 1.36Å | 1.53Å | |
| C24 | N2 | sing | 1.47Å | 1.53Å | |
| C24 | C25 | sing | 1.50Å | 1.62Å | |
| C24 | C38 | sing | 1.53Å | 1.58Å | |
| C25 | O4 | sing | 1.35Å | 1.49Å | |
| C25 | O9 | doub | 1.21Å | 1.26Å | |
| O4 | C26 | sing | 1.45Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.63Å | |
| C27 | C28 | sing | 1.51Å | 1.61Å | |
| C27 | C36 | sing | 1.53Å | 1.61Å | |
| C27 | C37 | sing | 1.53Å | 1.61Å | |
| C28 | C29 | sing | 1.49Å | 1.61Å | |
| C28 | O8 | doub | 1.21Å | 1.24Å | |
| C29 | N3 | sing | 1.35Å | 1.53Å | |
| C29 | O7 | doub | 1.22Å | 1.24Å | |
| N3 | C35 | sing | 1.46Å | 1.55Å | |
| N3 | C30 | sing | 1.47Å | 1.52Å | |
| C30 | C31 | sing | 1.51Å | 1.61Å | |
| C30 | C32 | sing | 1.53Å | 1.60Å | |
| C31 | O5 | sing | 1.34Å | 1.49Å | |
| C31 | O6 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.62Å | |
| C33 | C34 | sing | 1.53Å | 1.60Å | |
| C34 | C35 | sing | 1.53Å | 1.61Å | |
| O10 | C40 | sing | 1.43Å | 1.49Å | |
| O11 | C41 | sing | 1.43Å | 1.48Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C41 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.10Å | 1.10Å | |
| C24 | H3 | sing | 1.10Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.08Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.08Å | 1.08Å | |
| C39 | H44 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C40 | H46 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.98Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.7° | 120.0° |
| C1 | C6 | C5 | 118.5° | 120.1° |
| C6 | C1 | H5 | 119.7° | 120.0° |
| C1 | C6 | H7 | 120.8° | 119.9° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| C1 | C2 | O11 | 116.5° | 120.1° |
| C2 | C1 | H5 | 119.7° | 119.9° |
| C3 | C2 | O11 | 122.8° | 120.0° |
| C2 | C3 | C4 | 118.6° | 119.8° |
| C2 | C3 | O10 | 124.5° | 120.1° |
| C2 | O11 | C41 | 113.7° | 117.0° |
| C4 | C3 | O10 | 116.9° | 120.1° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C3 | C4 | H6 | 119.9° | 120.0° |
| C3 | O10 | C40 | 116.7° | 117.0° |
| C4 | C5 | C6 | 121.5° | 120.2° |
| C4 | C5 | C7 | 120.3° | 119.9° |
| C5 | C4 | H6 | 120.0° | 120.0° |
| C6 | C5 | C7 | 118.2° | 119.9° |
| C5 | C6 | H7 | 120.8° | 119.9° |
| C5 | C7 | C8 | 107.1° | 109.5° |
| C5 | C7 | H8 | 110.0° | 109.5° |
| C5 | C7 | H9 | 110.1° | 109.5° |
| C7 | C8 | C9 | 110.4° | 109.5° |
| C8 | C7 | H8 | 110.1° | 109.4° |
| C8 | C7 | H9 | 110.1° | 109.4° |
| C7 | C8 | H10 | 109.3° | 109.5° |
| C7 | C8 | H11 | 109.2° | 109.4° |
| C8 | C9 | O5 | 103.2° | 109.6° |
| C8 | C9 | C10 | 113.9° | 109.9° |
| C9 | C8 | H10 | 109.3° | 109.5° |
| C9 | C8 | H11 | 109.2° | 109.5° |
| C8 | C9 | H1 | 111.4° | 108.7° |
| O5 | C9 | C10 | 102.6° | 111.6° |
| C9 | O5 | C31 | 117.4° | 117.5° |
| O5 | C9 | H1 | 113.4° | 108.7° |
| C9 | C10 | C15 | 113.2° | 118.6° |
| C9 | C10 | C11 | 125.9° | 121.8° |
| C10 | C9 | H1 | 111.8° | 108.3° |
| C15 | C10 | C11 | 120.9° | 119.6° |
| C10 | C15 | C14 | 119.6° | 120.0° |
| C10 | C15 | H15 | 120.2° | 119.7° |
| C10 | C11 | C12 | 119.5° | 120.3° |
| C10 | C11 | H12 | 120.2° | 121.2° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C12 | C11 | H12 | 120.2° | 118.5° |
| C11 | C12 | H13 | 120.2° | 119.8° |
| C12 | C13 | C14 | 118.3° | 119.8° |
| C13 | C12 | H13 | 120.2° | 120.1° |
| C12 | C13 | H14 | 120.8° | 120.1° |
| C13 | C14 | C15 | 122.0° | 120.1° |
| C13 | C14 | O1 | 125.3° | 120.3° |
| C14 | C13 | H14 | 120.8° | 120.1° |
| C15 | C14 | O1 | 112.6° | 119.5° |
| C14 | C15 | H15 | 120.2° | 120.3° |
| C14 | O1 | C16 | 112.7° | 117.4° |
| O1 | C16 | C17 | 109.4° | 109.4° |
| O1 | C16 | H16 | 109.5° | 108.7° |
| O1 | C16 | H17 | 109.5° | 109.3° |
| C16 | C17 | O2 | 119.3° | 117.8° |
| C16 | C17 | N1 | 122.3° | 122.1° |
| C17 | C16 | H16 | 109.5° | 110.5° |
| C17 | C16 | H17 | 109.5° | 109.3° |
| O2 | C17 | N1 | 118.4° | 120.0° |
| C17 | N1 | C22 | 122.8° | 123.5° |
| C17 | N1 | C18 | 120.6° | 121.1° |
| C22 | N1 | C18 | 116.4° | 115.4° |
| N1 | C22 | C21 | 104.7° | 107.4° |
| N1 | C22 | C23 | 111.4° | 114.7° |
| N1 | C22 | H2 | 111.6° | 106.9° |
| N1 | C18 | C19 | 104.2° | 108.0° |
| N1 | C18 | H18 | 110.8° | 108.8° |
| N1 | C18 | H19 | 110.8° | 110.8° |
| C18 | C19 | C20 | 114.7° | 111.9° |
| C19 | C18 | H18 | 110.8° | 109.4° |
| C19 | C18 | H19 | 110.8° | 109.9° |
| C18 | C19 | H20 | 108.2° | 108.9° |
| C18 | C19 | H21 | 108.2° | 108.8° |
| C19 | C20 | C21 | 122.5° | 121.3° |
| C19 | C20 | C39 | 117.5° | 119.5° |
| C20 | C19 | H20 | 108.2° | 109.2° |
| C20 | C19 | H21 | 108.1° | 109.1° |
| C21 | C20 | C39 | 116.3° | 119.2° |
| C20 | C21 | C22 | 109.3° | 107.0° |
| C20 | C21 | H22 | 109.5° | 109.9° |
| C20 | C21 | H23 | 109.5° | 109.9° |
| C20 | C39 | H45 | 120.0° | 120.0° |
| C20 | C39 | H44 | 120.0° | 120.0° |
| C21 | C22 | C23 | 107.4° | 112.8° |
| C22 | C21 | H22 | 109.5° | 109.9° |
| C22 | C21 | H23 | 109.5° | 109.9° |
| C21 | C22 | H2 | 110.7° | 106.6° |
| C22 | C23 | O3 | 122.3° | 118.9° |
| C22 | C23 | N2 | 117.8° | 121.7° |
| C23 | C22 | H2 | 110.9° | 108.0° |
| O3 | C23 | N2 | 119.8° | 119.4° |
| C23 | N2 | C24 | 118.7° | 119.0° |
| C23 | N2 | H24 | 120.7° | 120.3° |
| N2 | C24 | C25 | 107.9° | 111.9° |
| N2 | C24 | C38 | 108.0° | 110.3° |
| N2 | C24 | H3 | 111.6° | 108.5° |
| C24 | N2 | H24 | 120.7° | 120.7° |
| C25 | C24 | C38 | 108.0° | 109.8° |
| C24 | C25 | O4 | 116.0° | 118.3° |
| C24 | C25 | O9 | 122.8° | 121.0° |
| C25 | C24 | H3 | 110.4° | 108.2° |
| C38 | C24 | H3 | 110.9° | 108.0° |
| C24 | C38 | H42 | 109.5° | 109.5° |
| C24 | C38 | H43 | 109.5° | 109.5° |
| C24 | C38 | H41 | 109.5° | 109.4° |
| O4 | C25 | O9 | 121.1° | 120.7° |
| C25 | O4 | C26 | 110.4° | 118.0° |
| O4 | C26 | C27 | 107.9° | 109.3° |
| O4 | C26 | H26 | 109.8° | 109.3° |
| O4 | C26 | H25 | 109.8° | 109.1° |
| C26 | C27 | C28 | 104.2° | 109.7° |
| C26 | C27 | C36 | 113.9° | 109.3° |
| C26 | C27 | C37 | 111.6° | 109.8° |
| C27 | C26 | H26 | 109.9° | 109.5° |
| C27 | C26 | H25 | 109.9° | 109.9° |
| C28 | C27 | C36 | 107.7° | 109.1° |
| C28 | C27 | C37 | 108.4° | 109.7° |
| C27 | C28 | C29 | 118.1° | 120.7° |
| C27 | C28 | O8 | 121.8° | 118.6° |
| C36 | C27 | C37 | 110.7° | 109.2° |
| C27 | C36 | H36 | 109.5° | 109.5° |
| C27 | C36 | H35 | 109.5° | 109.5° |
| C27 | C36 | H37 | 109.5° | 109.5° |
| C27 | C37 | H40 | 109.5° | 109.5° |
| C27 | C37 | H39 | 109.5° | 109.5° |
| C27 | C37 | H38 | 109.5° | 109.4° |
| C29 | C28 | O8 | 120.0° | 120.6° |
| C28 | C29 | N3 | 114.7° | 122.0° |
| C28 | C29 | O7 | 121.9° | 119.3° |
| N3 | C29 | O7 | 123.4° | 118.7° |
| C29 | N3 | C35 | 117.6° | 120.8° |
| C29 | N3 | C30 | 117.9° | 120.0° |
| C35 | N3 | C30 | 124.5° | 119.2° |
| N3 | C35 | C34 | 107.1° | 109.7° |
| N3 | C35 | H33 | 110.1° | 111.0° |
| N3 | C35 | H34 | 110.1° | 108.9° |
| N3 | C30 | C31 | 112.2° | 110.8° |
| N3 | C30 | C32 | 107.9° | 110.1° |
| N3 | C30 | H4 | 109.8° | 109.3° |
| C31 | C30 | C32 | 109.8° | 106.2° |
| C30 | C31 | O5 | 117.8° | 121.6° |
| C30 | C31 | O6 | 121.8° | 119.1° |
| C31 | C30 | H4 | 108.5° | 109.5° |
| C30 | C32 | C33 | 110.6° | 110.4° |
| C32 | C30 | H4 | 108.7° | 110.9° |
| C30 | C32 | H27 | 109.2° | 109.3° |
| C30 | C32 | H28 | 109.2° | 109.2° |
| O5 | C31 | O6 | 120.3° | 119.3° |
| C32 | C33 | C34 | 111.6° | 108.6° |
| C33 | C32 | H27 | 109.2° | 109.3° |
| C33 | C32 | H28 | 109.2° | 109.4° |
| C32 | C33 | H30 | 109.0° | 109.8° |
| C32 | C33 | H29 | 108.9° | 109.8° |
| C33 | C34 | C35 | 109.2° | 107.7° |
| C34 | C33 | H30 | 109.0° | 109.6° |
| C34 | C33 | H29 | 109.0° | 109.4° |
| C33 | C34 | H32 | 109.6° | 109.6° |
| C33 | C34 | H31 | 109.6° | 109.9° |
| C35 | C34 | H32 | 109.5° | 109.8° |
| C35 | C34 | H31 | 109.5° | 109.9° |
| C34 | C35 | H33 | 110.0° | 109.9° |
| C34 | C35 | H34 | 110.0° | 108.7° |
| O10 | C40 | H46 | 109.5° | 109.4° |
| O10 | C40 | H47 | 109.5° | 109.5° |
| O10 | C40 | H48 | 109.5° | 109.5° |
| O11 | C41 | H51 | 109.5° | 109.5° |
| O11 | C41 | H49 | 109.5° | 109.5° |
| O11 | C41 | H50 | 109.4° | 109.4° |
| H51 | C41 | H49 | 109.5° | 109.4° |
| H51 | C41 | H50 | 109.5° | 109.5° |
| H49 | C41 | H50 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.6° |
| H18 | C18 | H19 | 109.5° | 110.0° |
| H20 | C19 | H21 | 109.5° | 108.9° |
| H22 | C21 | H23 | 109.5° | 110.2° |
| H26 | C26 | H25 | 109.5° | 109.6° |
| H27 | C32 | H28 | 109.5° | 109.1° |
| H30 | C33 | H29 | 109.4° | 109.7° |
| H32 | C34 | H31 | 109.5° | 109.9° |
| H33 | C35 | H34 | 109.5° | 108.6° |
| H36 | C36 | H35 | 109.4° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.4° |
| H35 | C36 | H37 | 109.5° | 109.5° |
| H40 | C37 | H39 | 109.4° | 109.5° |
| H40 | C37 | H38 | 109.5° | 109.5° |
| H39 | C37 | H38 | 109.5° | 109.5° |
| H42 | C38 | H43 | 109.4° | 109.5° |
| H42 | C38 | H41 | 109.4° | 109.5° |
| H43 | C38 | H41 | 109.5° | 109.5° |
| H45 | C39 | H44 | 120.0° | 120.0° |
| H46 | C40 | H47 | 109.4° | 109.4° |
| H46 | C40 | H48 | 109.4° | 109.5° |
| H47 | C40 | H48 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.4° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H5 | 180.0° | 179.6° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | O11 | 179.9° | 179.9° |
| C1 | C6 | C5 | C4 | 1.7° | 0.0° |
| C1 | C6 | C5 | H7 | 180.0° | 179.9° |
| C1 | C6 | C5 | C7 | 179.1° | 179.9° |
| C1 | C2 | C3 | O11 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | O10 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.1° |
| C1 | C2 | O11 | C41 | 12.4° | 0.0° |
| C2 | C1 | C6 | H7 | 179.3° | 180.0° |
| C2 | C3 | C4 | O10 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C2 | C3 | O10 | C40 | 3.7° | 180.0° |
| C3 | C2 | O11 | C41 | 167.4° | 179.9° |
| C3 | C2 | C1 | H5 | 179.9° | 179.7° |
| C2 | C3 | C4 | H6 | 178.6° | 180.0° |
| O11 | C2 | C3 | C4 | 179.8° | 180.0° |
| O11 | C2 | C3 | O10 | 0.3° | 0.0° |
| O11 | C2 | C1 | H5 | 0.1° | 0.3° |
| C2 | O11 | C41 | H51 | 180.0° | 179.9° |
| C2 | O11 | C41 | H49 | 60.0° | 60.0° |
| C2 | O11 | C41 | H50 | 60.0° | 60.0° |
| C3 | C4 | C5 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.1° | 0.0° |
| C3 | C4 | C5 | C7 | 179.4° | 179.9° |
| C4 | C3 | O10 | C40 | 176.2° | 0.1° |
| O10 | C3 | C4 | C5 | 178.5° | 180.0° |
| O10 | C3 | C4 | H6 | 1.5° | 0.1° |
| C3 | O10 | C40 | H46 | 180.0° | 180.0° |
| C3 | O10 | C40 | H47 | 60.0° | 60.1° |
| C3 | O10 | C40 | H48 | 60.0° | 60.0° |
| C4 | C5 | C6 | C7 | 177.4° | 180.0° |
| C4 | C5 | C7 | C8 | 75.3° | 90.0° |
| C4 | C5 | C6 | H7 | 178.3° | 180.0° |
| C4 | C5 | C7 | H8 | 44.4° | 150.0° |
| C4 | C5 | C7 | H9 | 165.1° | 29.9° |
| C6 | C5 | C7 | C8 | 102.2° | 90.0° |
| C5 | C6 | C1 | H5 | 179.3° | 179.7° |
| C6 | C5 | C4 | H6 | 177.9° | 180.0° |
| C6 | C5 | C7 | H8 | 138.2° | 29.9° |
| C6 | C5 | C7 | H9 | 17.5° | 150.0° |
| C5 | C7 | C8 | H8 | 119.6° | 120.0° |
| C5 | C7 | C8 | H9 | 119.6° | 120.0° |
| C5 | C7 | C8 | C9 | 49.1° | 180.0° |
| C7 | C5 | C4 | H6 | 0.6° | 0.0° |
| C7 | C5 | C6 | H7 | 0.9° | 0.0° |
| C5 | C7 | H8 | H9 | 121.1° | 120.1° |
| C5 | C7 | C8 | H10 | 71.0° | 59.9° |
| C5 | C7 | C8 | H11 | 169.2° | 60.0° |
| C7 | C8 | C9 | H10 | 120.2° | 120.0° |
| C7 | C8 | C9 | H11 | 120.1° | 120.0° |
| C7 | C8 | C9 | O5 | 159.5° | 65.0° |
| C7 | C8 | C9 | C10 | 90.1° | 171.9° |
| C8 | C7 | H8 | H9 | 121.1° | 119.9° |
| C7 | C8 | H10 | H11 | 119.6° | 120.0° |
| C7 | C8 | C9 | H1 | 37.5° | 53.6° |
| C8 | C9 | O5 | C10 | 118.6° | 122.0° |
| C8 | C9 | O5 | H1 | 120.6° | 118.6° |
| C8 | C9 | C10 | H1 | 127.4° | 118.6° |
| C8 | C9 | C10 | C15 | 46.1° | 143.7° |
| C8 | C9 | C10 | C11 | 134.0° | 36.6° |
| C8 | C9 | O5 | C31 | 153.3° | 88.9° |
| C9 | C8 | C7 | H8 | 168.7° | 60.0° |
| C9 | C8 | C7 | H9 | 70.5° | 60.0° |
| C9 | C8 | H10 | H11 | 119.6° | 120.0° |
| O5 | C9 | C10 | H1 | 121.9° | 119.6° |
| O5 | C9 | C10 | C15 | 64.6° | 94.5° |
| O5 | C9 | C10 | C11 | 115.2° | 85.3° |
| C9 | O5 | C31 | C30 | 167.9° | 178.1° |
| C9 | O5 | C31 | O6 | 14.9° | 3.0° |
| O5 | C9 | C8 | H10 | 39.3° | 55.0° |
| O5 | C9 | C8 | H11 | 80.4° | 175.0° |
| C9 | C10 | C15 | C11 | 179.9° | 179.8° |
| C9 | C10 | C11 | C12 | 178.7° | 179.4° |
| C9 | C10 | C15 | C14 | 177.9° | 179.6° |
| C10 | C9 | O5 | C31 | 88.2° | 149.1° |
| C9 | C10 | C11 | H12 | 1.3° | 0.8° |
| C9 | C10 | C15 | H15 | 2.1° | 0.0° |
| C10 | C9 | C8 | H10 | 149.7° | 68.1° |
| C10 | C9 | C8 | H11 | 30.0° | 52.0° |
| C15 | C10 | C11 | C12 | 1.4° | 0.9° |
| C10 | C15 | C14 | C13 | 2.1° | 1.1° |
| C10 | C15 | C14 | H15 | 180.0° | 179.5° |
| C10 | C15 | C14 | O1 | 180.0° | 178.2° |
| C15 | C10 | C11 | H12 | 178.5° | 179.0° |
| C15 | C10 | C9 | H1 | 173.5° | 25.1° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 1.0° |
| C11 | C10 | C15 | C14 | 2.2° | 0.2° |
| C10 | C11 | C12 | H13 | 179.6° | 178.7° |
| C11 | C10 | C15 | H15 | 177.8° | 179.8° |
| C11 | C10 | C9 | H1 | 6.7° | 155.1° |
| C11 | C12 | C13 | H13 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C11 | C12 | C13 | H14 | 179.7° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.1° | 1.0° |
| C12 | C13 | C14 | O1 | 178.7° | 178.4° |
| C13 | C12 | C11 | H12 | 179.5° | 178.8° |
| C13 | C14 | C15 | O1 | 177.9° | 179.3° |
| C13 | C14 | O1 | C16 | 75.1° | 110.5° |
| C14 | C13 | C12 | H13 | 179.8° | 179.7° |
| C13 | C14 | C15 | H15 | 177.9° | 179.3° |
| C15 | C14 | O1 | C16 | 107.1° | 70.2° |
| C15 | C14 | C13 | H14 | 178.9° | 178.9° |
| C14 | O1 | C16 | C17 | 76.5° | 133.7° |
| O1 | C14 | C13 | H14 | 1.3° | 1.7° |
| O1 | C14 | C15 | H15 | 0.0° | 1.3° |
| C14 | O1 | C16 | H16 | 43.5° | 105.6° |
| C14 | O1 | C16 | H17 | 163.5° | 14.0° |
| O1 | C16 | C17 | H16 | 120.0° | 119.6° |
| O1 | C16 | C17 | H17 | 120.0° | 119.7° |
| O1 | C16 | C17 | O2 | 97.7° | 30.2° |
| O1 | C16 | C17 | N1 | 83.8° | 147.9° |
| O1 | C16 | H16 | H17 | 120.0° | 119.4° |
| C16 | C17 | O2 | N1 | 178.6° | 178.2° |
| C16 | C17 | N1 | C22 | 1.0° | 165.6° |
| C16 | C17 | N1 | C18 | 175.9° | 17.1° |
| C17 | C16 | H16 | H17 | 120.0° | 120.6° |
| O2 | C17 | N1 | C22 | 177.6° | 16.3° |
| O2 | C17 | N1 | C18 | 2.7° | 161.0° |
| O2 | C17 | C16 | H16 | 22.3° | 149.8° |
| O2 | C17 | C16 | H17 | 142.4° | 89.5° |
| C17 | N1 | C22 | C18 | 175.1° | 177.4° |
| C17 | N1 | C18 | C19 | 109.5° | 115.8° |
| C17 | N1 | C22 | C21 | 99.0° | 108.5° |
| C17 | N1 | C22 | C23 | 145.2° | 17.7° |
| N1 | C17 | C16 | H16 | 156.3° | 28.3° |
| N1 | C17 | C16 | H17 | 36.2° | 92.4° |
| C17 | N1 | C18 | H18 | 131.3° | 125.6° |
| C17 | N1 | C18 | H19 | 9.7° | 4.5° |
| C17 | N1 | C22 | H2 | 20.7° | 137.4° |
| C22 | N1 | C18 | C19 | 65.8° | 61.7° |
| N1 | C22 | C21 | C20 | 52.2° | 54.2° |
| N1 | C22 | C21 | C23 | 118.5° | 127.3° |
| N1 | C22 | C21 | H2 | 120.4° | 114.3° |
| N1 | C22 | C23 | H2 | 124.9° | 119.1° |
| N1 | C22 | C23 | O3 | 21.5° | 34.6° |
| N1 | C22 | C23 | N2 | 159.7° | 145.9° |
| C22 | N1 | C18 | H18 | 53.4° | 56.9° |
| C22 | N1 | C18 | H19 | 175.1° | 178.0° |
| N1 | C22 | C21 | H22 | 172.2° | 65.1° |
| N1 | C22 | C21 | H23 | 67.8° | 173.5° |
| N1 | C18 | C19 | H18 | 119.2° | 118.3° |
| N1 | C18 | C19 | H19 | 119.1° | 120.9° |
| N1 | C18 | C19 | C20 | 36.4° | 42.9° |
| C18 | N1 | C22 | C21 | 76.1° | 68.9° |
| C18 | N1 | C22 | C23 | 39.7° | 164.9° |
| N1 | C18 | H18 | H19 | 122.5° | 121.5° |
| N1 | C18 | C19 | H20 | 157.2° | 77.9° |
| N1 | C18 | C19 | H21 | 84.3° | 163.5° |
| C18 | N1 | C22 | H2 | 164.1° | 45.2° |
| C18 | C19 | C20 | H20 | 120.8° | 120.7° |
| C18 | C19 | C20 | H21 | 120.8° | 120.5° |
| C18 | C19 | C20 | C21 | 27.5° | 40.5° |
| C18 | C19 | C20 | C39 | 129.9° | 139.6° |
| C19 | C18 | H18 | H19 | 122.4° | 120.7° |
| C18 | C19 | H20 | H21 | 117.7° | 118.5° |
| C19 | C20 | C21 | C39 | 157.6° | 179.9° |
| C19 | C20 | C21 | C22 | 34.9° | 45.3° |
| C20 | C19 | C18 | H18 | 82.7° | 75.4° |
| C20 | C19 | C18 | H19 | 155.6° | 163.8° |
| C20 | C19 | H20 | H21 | 117.6° | 119.0° |
| C19 | C20 | C21 | H22 | 154.8° | 74.0° |
| C19 | C20 | C21 | H23 | 85.1° | 164.6° |
| C19 | C20 | C39 | H45 | 158.8° | 0.0° |
| C19 | C20 | C39 | H44 | 21.2° | 180.0° |
| C20 | C21 | C22 | H22 | 119.9° | 119.3° |
| C20 | C21 | C22 | H23 | 120.0° | 119.3° |
| C20 | C21 | C22 | C23 | 66.3° | 178.5° |
| C21 | C20 | C19 | H20 | 148.3° | 80.2° |
| C21 | C20 | C19 | H21 | 93.2° | 160.9° |
| C20 | C21 | H22 | H23 | 120.1° | 121.2° |
| C20 | C21 | C22 | H2 | 172.6° | 60.2° |
| C21 | C20 | C39 | H45 | 0.0° | 179.9° |
| C21 | C20 | C39 | H44 | 180.0° | 0.1° |
| C39 | C20 | C21 | C22 | 122.7° | 134.8° |
| C39 | C20 | C19 | H20 | 9.1° | 99.7° |
| C39 | C20 | C19 | H21 | 109.4° | 19.2° |
| C39 | C20 | C21 | H22 | 2.8° | 106.0° |
| C39 | C20 | C21 | H23 | 117.2° | 15.4° |
| C20 | C39 | H45 | H44 | 180.0° | 180.0° |
| C21 | C22 | C23 | H2 | 121.0° | 117.5° |
| C21 | C22 | C23 | O3 | 135.6° | 158.0° |
| C21 | C22 | C23 | N2 | 45.7° | 22.5° |
| C22 | C21 | H22 | H23 | 120.1° | 121.2° |
| C22 | C23 | O3 | N2 | 178.7° | 179.5° |
| C22 | C23 | N2 | C24 | 178.5° | 170.6° |
| C23 | C22 | C21 | H22 | 53.7° | 62.2° |
| C23 | C22 | C21 | H23 | 173.7° | 59.2° |
| C22 | C23 | N2 | H24 | 1.4° | 9.3° |
| O3 | C23 | N2 | C24 | 0.3° | 8.9° |
| O3 | C23 | C22 | H2 | 103.4° | 84.5° |
| O3 | C23 | N2 | H24 | 179.8° | 171.2° |
| C23 | N2 | C24 | H24 | 180.0° | 179.9° |
| C23 | N2 | C24 | C25 | 57.7° | 58.5° |
| C23 | N2 | C24 | C38 | 174.1° | 64.1° |
| N2 | C23 | C22 | H2 | 75.4° | 95.0° |
| C23 | N2 | C24 | H3 | 63.7° | 177.8° |
| N2 | C24 | C25 | C38 | 116.4° | 122.9° |
| N2 | C24 | C25 | H3 | 122.2° | 119.4° |
| N2 | C24 | C38 | H3 | 122.6° | 118.4° |
| N2 | C24 | C25 | O4 | 43.4° | 159.0° |
| N2 | C24 | C25 | O9 | 136.9° | 21.6° |
| N2 | C24 | C38 | H42 | 180.0° | 60.0° |
| N2 | C24 | C38 | H43 | 60.0° | 180.0° |
| N2 | C24 | C38 | H41 | 60.0° | 60.0° |
| C25 | C24 | C38 | H3 | 121.0° | 117.8° |
| C24 | C25 | O4 | O9 | 179.7° | 179.4° |
| C24 | C25 | O4 | C26 | 177.8° | 179.2° |
| C25 | C24 | C38 | H42 | 63.6° | 63.8° |
| C25 | C24 | C38 | H43 | 176.4° | 56.2° |
| C25 | C24 | C38 | H41 | 56.4° | 176.2° |
| C25 | C24 | N2 | H24 | 122.3° | 121.6° |
| C38 | C24 | C25 | O4 | 73.1° | 36.2° |
| C38 | C24 | C25 | O9 | 106.6° | 144.5° |
| C24 | C38 | H42 | H43 | 120.0° | 120.0° |
| C24 | C38 | H42 | H41 | 120.0° | 120.0° |
| C24 | C38 | H43 | H41 | 120.0° | 120.0° |
| C38 | C24 | N2 | H24 | 5.9° | 115.8° |
| C25 | O4 | C26 | C27 | 98.1° | 155.3° |
| O4 | C25 | C24 | H3 | 165.5° | 81.6° |
| C25 | O4 | C26 | H26 | 21.7° | 84.8° |
| C25 | O4 | C26 | H25 | 142.2° | 35.1° |
| O9 | C25 | O4 | C26 | 2.4° | 0.2° |
| O9 | C25 | C24 | H3 | 14.7° | 97.8° |
| O4 | C26 | C27 | H26 | 119.7° | 119.8° |
| O4 | C26 | C27 | H25 | 119.7° | 119.8° |
| O4 | C26 | C27 | C28 | 154.3° | 179.0° |
| O4 | C26 | C27 | C36 | 37.2° | 61.5° |
| O4 | C26 | C27 | C37 | 89.0° | 58.3° |
| O4 | C26 | H26 | H25 | 120.7° | 119.6° |
| C26 | C27 | C28 | C36 | 121.3° | 119.6° |
| C26 | C27 | C28 | C37 | 118.9° | 120.8° |
| C26 | C27 | C36 | C37 | 126.7° | 120.2° |
| C26 | C27 | C28 | C29 | 146.8° | 48.4° |
| C26 | C27 | C28 | O8 | 36.2° | 132.9° |
| C27 | C26 | H26 | H25 | 120.7° | 120.7° |
| C26 | C27 | C36 | H36 | 180.0° | 60.0° |
| C26 | C27 | C36 | H35 | 60.0° | 180.0° |
| C26 | C27 | C36 | H37 | 60.0° | 60.0° |
| C26 | C27 | C37 | H40 | 180.0° | 60.0° |
| C26 | C27 | C37 | H39 | 60.0° | 179.9° |
| C26 | C27 | C37 | H38 | 60.0° | 59.9° |
| C28 | C27 | C36 | C37 | 118.3° | 119.9° |
| C27 | C28 | C29 | O8 | 177.1° | 178.7° |
| C27 | C28 | C29 | N3 | 91.4° | 175.9° |
| C27 | C28 | C29 | O7 | 89.2° | 2.6° |
| C28 | C27 | C26 | H26 | 86.0° | 61.2° |
| C28 | C27 | C26 | H25 | 34.6° | 59.2° |
| C28 | C27 | C36 | H36 | 65.0° | 179.9° |
| C28 | C27 | C36 | H35 | 55.0° | 60.1° |
| C28 | C27 | C36 | H37 | 175.0° | 59.9° |
| C28 | C27 | C37 | H40 | 65.8° | 60.7° |
| C28 | C27 | C37 | H39 | 174.2° | 59.4° |
| C28 | C27 | C37 | H38 | 54.2° | 179.4° |
| C36 | C27 | C28 | C29 | 91.9° | 168.0° |
| C36 | C27 | C28 | O8 | 85.1° | 13.3° |
| C36 | C27 | C26 | H26 | 157.0° | 58.3° |
| C36 | C27 | C26 | H25 | 82.5° | 178.7° |
| C27 | C36 | H36 | H35 | 120.0° | 120.0° |
| C27 | C36 | H36 | H37 | 120.0° | 120.0° |
| C27 | C36 | H35 | H37 | 120.0° | 120.0° |
| C36 | C27 | C37 | H40 | 52.1° | 179.8° |
| C36 | C27 | C37 | H39 | 67.9° | 60.1° |
| C36 | C27 | C37 | H38 | 172.1° | 59.9° |
| C37 | C27 | C28 | C29 | 27.8° | 72.4° |
| C37 | C27 | C28 | O8 | 155.1° | 106.3° |
| C37 | C27 | C26 | H26 | 30.8° | 178.1° |
| C37 | C27 | C26 | H25 | 151.3° | 61.5° |
| C37 | C27 | C36 | H36 | 53.4° | 60.2° |
| C37 | C27 | C36 | H35 | 173.4° | 59.8° |
| C37 | C27 | C36 | H37 | 66.7° | 179.9° |
| C27 | C37 | H40 | H39 | 120.0° | 120.0° |
| C27 | C37 | H40 | H38 | 120.0° | 120.0° |
| C27 | C37 | H39 | H38 | 120.0° | 120.0° |
| C28 | C29 | N3 | O7 | 179.4° | 178.5° |
| C28 | C29 | N3 | C35 | 0.1° | 28.9° |
| C28 | C29 | N3 | C30 | 178.4° | 151.0° |
| O8 | C28 | C29 | N3 | 85.7° | 5.4° |
| O8 | C28 | C29 | O7 | 93.7° | 176.1° |
| C29 | N3 | C35 | C30 | 178.4° | 179.8° |
| C29 | N3 | C30 | C31 | 109.9° | 14.9° |
| C29 | N3 | C30 | C32 | 129.0° | 132.1° |
| C29 | N3 | C35 | C34 | 126.7° | 128.3° |
| C29 | N3 | C30 | H4 | 10.8° | 105.9° |
| C29 | N3 | C35 | H33 | 7.1° | 6.6° |
| C29 | N3 | C35 | H34 | 113.7° | 112.9° |
| O7 | C29 | N3 | C35 | 179.5° | 149.6° |
| O7 | C29 | N3 | C30 | 1.1° | 30.5° |
| C35 | N3 | C30 | C31 | 71.7° | 165.0° |
| C35 | N3 | C30 | C32 | 49.4° | 47.8° |
| N3 | C35 | C34 | C33 | 52.2° | 57.0° |
| N3 | C35 | C34 | H33 | 119.6° | 122.3° |
| N3 | C35 | C34 | H34 | 119.6° | 118.9° |
| C35 | N3 | C30 | H4 | 167.6° | 74.3° |
| N3 | C35 | C34 | H32 | 172.2° | 62.3° |
| N3 | C35 | C34 | H31 | 67.7° | 176.7° |
| N3 | C35 | H33 | H34 | 121.1° | 119.6° |
| N3 | C30 | C31 | C32 | 119.9° | 119.5° |
| N3 | C30 | C31 | H4 | 121.4° | 120.7° |
| N3 | C30 | C32 | H4 | 118.9° | 121.1° |
| N3 | C30 | C31 | O5 | 22.3° | 136.8° |
| N3 | C30 | C31 | O6 | 160.5° | 44.2° |
| N3 | C30 | C32 | C33 | 48.0° | 50.9° |
| C30 | N3 | C35 | C34 | 51.7° | 51.6° |
| N3 | C30 | C32 | H27 | 168.2° | 69.5° |
| N3 | C30 | C32 | H28 | 72.2° | 171.2° |
| C30 | N3 | C35 | H33 | 171.3° | 173.2° |
| C30 | N3 | C35 | H34 | 68.0° | 67.3° |
| C31 | C30 | C32 | H4 | 118.6° | 118.9° |
| C30 | C31 | O5 | O6 | 177.2° | 179.0° |
| C31 | C30 | C32 | C33 | 74.5° | 170.9° |
| C31 | C30 | C32 | H27 | 45.7° | 50.5° |
| C31 | C30 | C32 | H28 | 165.3° | 68.8° |
| C32 | C30 | C31 | O5 | 142.2° | 103.7° |
| C32 | C30 | C31 | O6 | 40.6° | 75.3° |
| C30 | C32 | C33 | H27 | 120.1° | 120.3° |
| C30 | C32 | C33 | H28 | 120.2° | 120.3° |
| C30 | C32 | C33 | C34 | 58.8° | 61.5° |
| C30 | C32 | H27 | H28 | 119.5° | 119.4° |
| C30 | C32 | C33 | H30 | 61.5° | 178.7° |
| C30 | C32 | C33 | H29 | 179.2° | 58.1° |
| O5 | C31 | C30 | H4 | 99.1° | 16.1° |
| C31 | O5 | C9 | H1 | 32.7° | 29.7° |
| O6 | C31 | C30 | H4 | 78.0° | 164.9° |
| C32 | C33 | C34 | H30 | 120.3° | 119.9° |
| C32 | C33 | C34 | H29 | 120.3° | 119.8° |
| C32 | C33 | C34 | C35 | 60.9° | 64.0° |
| C33 | C32 | C30 | H4 | 166.9° | 70.3° |
| C33 | C32 | H27 | H28 | 119.5° | 119.6° |
| C32 | C33 | H30 | H29 | 119.0° | 120.7° |
| C32 | C33 | C34 | H32 | 179.2° | 55.4° |
| C32 | C33 | C34 | H31 | 59.1° | 176.3° |
| C33 | C34 | C35 | H32 | 120.0° | 119.3° |
| C33 | C34 | C35 | H31 | 120.0° | 119.7° |
| C34 | C33 | C32 | H27 | 179.0° | 58.9° |
| C34 | C33 | C32 | H28 | 61.4° | 178.3° |
| C34 | C33 | H30 | H29 | 119.0° | 120.1° |
| C33 | C34 | H32 | H31 | 120.2° | 120.8° |
| C33 | C34 | C35 | H33 | 171.9° | 179.4° |
| C33 | C34 | C35 | H34 | 67.4° | 61.9° |
| C35 | C34 | C33 | H30 | 59.5° | 176.1° |
| C35 | C34 | C33 | H29 | 178.8° | 55.8° |
| C35 | C34 | H32 | H31 | 120.1° | 121.0° |
| C34 | C35 | H33 | H34 | 121.1° | 118.8° |
| O10 | C40 | H46 | H47 | 120.0° | 120.0° |
| O10 | C40 | H46 | H48 | 120.0° | 120.0° |
| O10 | C40 | H47 | H48 | 120.0° | 120.1° |
| O11 | C41 | H51 | H49 | 120.0° | 120.0° |
| O11 | C41 | H51 | H50 | 120.0° | 120.0° |
| O11 | C41 | H49 | H50 | 119.9° | 120.0° |
| H5 | C1 | C6 | H7 | 0.7° | 0.3° |
| H51 | C41 | H49 | H50 | 120.0° | 120.0° |
| H12 | C11 | C12 | H13 | 0.5° | 1.4° |
| H13 | C12 | C13 | H14 | 0.3° | 0.3° |
| H18 | C18 | C19 | H20 | 38.0° | 163.8° |
| H18 | C18 | C19 | H21 | 156.5° | 45.2° |
| H19 | C18 | C19 | H20 | 83.6° | 43.0° |
| H19 | C18 | C19 | H21 | 34.9° | 75.6° |
| H22 | C21 | C22 | H2 | 67.5° | 179.4° |
| H23 | C21 | C22 | H2 | 52.6° | 59.1° |
| H3 | C24 | C38 | H42 | 57.4° | 178.4° |
| H3 | C24 | C38 | H43 | 62.6° | 61.6° |
| H3 | C24 | C38 | H41 | 177.4° | 58.4° |
| H3 | C24 | N2 | H24 | 116.3° | 2.3° |
| H4 | C30 | C32 | H27 | 72.9° | 169.4° |
| H4 | C30 | C32 | H28 | 46.8° | 50.1° |
| H27 | C32 | C33 | H30 | 58.6° | 60.9° |
| H27 | C32 | C33 | H29 | 60.7° | 178.4° |
| H28 | C32 | C33 | H30 | 178.3° | 58.5° |
| H28 | C32 | C33 | H29 | 59.0° | 62.2° |
| H30 | C33 | C34 | H32 | 60.5° | 64.5° |
| H30 | C33 | C34 | H31 | 179.4° | 56.4° |
| H29 | C33 | C34 | H32 | 58.9° | 175.2° |
| H29 | C33 | C34 | H31 | 61.2° | 63.9° |
| H32 | C34 | C35 | H33 | 68.1° | 60.0° |
| H32 | C34 | C35 | H34 | 52.6° | 178.8° |
| H31 | C34 | C35 | H33 | 51.9° | 61.0° |
| H31 | C34 | C35 | H34 | 172.6° | 57.8° |
| H36 | C36 | H35 | H37 | 120.0° | 119.9° |
| H40 | C37 | H39 | H38 | 120.0° | 120.0° |
| H42 | C38 | H43 | H41 | 119.9° | 120.0° |
| H46 | C40 | H47 | H48 | 119.9° | 120.0° |
| H8 | C7 | C8 | H10 | 48.6° | 180.0° |
| H8 | C7 | C8 | H11 | 71.1° | 60.0° |
| H9 | C7 | C8 | H10 | 169.3° | 60.1° |
| H9 | C7 | C8 | H11 | 49.6° | 180.0° |
| H10 | C8 | C9 | H1 | 82.7° | 173.6° |
| H11 | C8 | C9 | H1 | 157.6° | 66.4° |
