A1AOI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | N2 | sing | 1.37Å | 1.39Å | |
| N2 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| N2 | C5 | sing | 1.35Å | 1.38Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| C8 | N4 | sing | 1.46Å | 1.47Å | |
| N4 | C9 | sing | 1.35Å | 1.34Å | |
| C9 | O2 | doub | 1.22Å | 1.24Å | |
| C9 | N5 | sing | 1.35Å | 1.35Å | |
| N5 | C10 | sing | 1.48Å | 1.46Å | |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| C11 | O3 | sing | 1.43Å | 1.40Å | |
| O3 | C12 | sing | 1.43Å | 1.43Å | |
| C11 | C13 | sing | 1.54Å | 1.55Å | |
| N4 | C14 | sing | 1.46Å | 1.46Å | |
| C8 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| C6 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | N6 | doub | 1.29Å | 1.31Å | Aromatic |
| N6 | C20 | sing | 1.33Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.35Å | 1.35Å | Aromatic |
| C21 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C20 | C22 | sing | 1.48Å | 1.48Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| N7 | C28 | sing | 1.46Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| N7 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.48Å | 1.48Å | |
| C31 | C32 | doub | 1.39Å | 1.42Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C34 | sing | 1.43Å | 1.43Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C32 | N8 | sing | 1.32Å | 1.34Å | Aromatic |
| N8 | C36 | doub | 1.32Å | 1.34Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C39 | doub | 1.36Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C41 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | O6 | sing | 1.45Å | 1.46Å | |
| O6 | C45 | sing | 1.34Å | 1.33Å | |
| C45 | O7 | doub | 1.21Å | 1.20Å | |
| C1 | C4 | sing | 1.52Å | 1.52Å | |
| N5 | C13 | sing | 1.48Å | 1.47Å | |
| C19 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C38 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C45 | sing | 1.51Å | 1.51Å | |
| C24 | C39 | sing | 1.46Å | 1.43Å | Aromatic |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.08Å | 1.08Å | |
| C37 | H49 | sing | 1.08Å | 1.08Å | |
| C38 | H50 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H55 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H58 | sing | 1.09Å | 1.10Å | |
| C43 | H56 | sing | 1.09Å | 1.10Å | |
| C43 | H57 | sing | 1.09Å | 1.10Å | |
| C44 | H60 | sing | 1.09Å | 1.10Å | |
| C44 | H59 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 108.5° | 109.6° |
| C2 | C1 | C4 | 110.7° | 111.6° |
| C1 | C2 | C45 | 109.9° | 109.9° |
| C2 | C1 | H2 | 109.2° | 109.1° |
| C2 | C1 | H1 | 109.2° | 109.0° |
| C1 | C2 | H3 | 109.6° | 109.5° |
| C2 | N1 | N2 | 113.2° | 110.4° |
| N1 | C2 | C45 | 108.4° | 109.1° |
| N1 | C2 | H3 | 110.7° | 109.3° |
| C2 | N1 | H4 | 108.5° | 111.0° |
| N1 | N2 | C3 | 115.1° | 119.2° |
| N1 | N2 | C5 | 121.1° | 120.1° |
| N2 | N1 | H4 | 108.5° | 111.0° |
| N2 | C3 | C4 | 108.3° | 108.5° |
| C3 | N2 | C5 | 123.8° | 120.7° |
| N2 | C3 | H5 | 109.8° | 109.7° |
| N2 | C3 | H6 | 109.8° | 109.8° |
| C3 | C4 | C1 | 110.0° | 110.9° |
| C4 | C3 | H5 | 109.8° | 109.6° |
| C4 | C3 | H6 | 109.8° | 109.6° |
| C3 | C4 | H8 | 109.3° | 109.2° |
| C3 | C4 | H7 | 109.3° | 109.2° |
| N2 | C5 | O1 | 120.7° | 120.1° |
| N2 | C5 | C6 | 117.6° | 119.8° |
| O1 | C5 | C6 | 121.7° | 120.1° |
| C5 | C6 | N3 | 111.2° | 109.3° |
| C5 | C6 | C18 | 107.7° | 109.9° |
| C5 | C6 | H9 | 109.2° | 109.4° |
| C6 | N3 | C7 | 122.4° | 120.0° |
| N3 | C6 | C18 | 109.4° | 109.4° |
| N3 | C6 | H9 | 110.2° | 109.4° |
| C6 | N3 | H10 | 118.8° | 120.0° |
| N3 | C7 | C8 | 114.8° | 120.0° |
| N3 | C7 | O4 | 123.7° | 120.0° |
| C7 | N3 | H10 | 118.8° | 120.0° |
| C7 | C8 | N4 | 107.6° | 109.5° |
| C7 | C8 | C15 | 112.2° | 109.5° |
| C8 | C7 | O4 | 121.5° | 120.0° |
| C7 | C8 | H11 | 107.1° | 109.5° |
| C8 | N4 | C9 | 116.4° | 120.0° |
| C8 | N4 | C14 | 116.5° | 120.0° |
| N4 | C8 | C15 | 114.6° | 109.5° |
| N4 | C8 | H11 | 108.1° | 109.5° |
| N4 | C9 | O2 | 119.9° | 120.0° |
| N4 | C9 | N5 | 123.8° | 120.0° |
| C9 | N4 | C14 | 127.1° | 120.0° |
| O2 | C9 | N5 | 116.2° | 120.0° |
| C9 | N5 | C10 | 130.1° | 134.5° |
| C9 | N5 | C13 | 135.8° | 134.5° |
| N5 | C10 | C11 | 86.4° | 86.1° |
| C10 | N5 | C13 | 93.6° | 91.0° |
| N5 | C10 | H12 | 114.9° | 113.8° |
| N5 | C10 | H13 | 114.9° | 113.9° |
| C10 | C11 | O3 | 114.5° | 113.8° |
| C10 | C11 | C13 | 87.0° | 86.3° |
| C11 | C10 | H12 | 114.9° | 113.7° |
| C11 | C10 | H13 | 114.9° | 113.8° |
| C10 | C11 | H14 | 112.3° | 113.8° |
| C11 | O3 | C12 | 112.9° | 114.1° |
| O3 | C11 | C13 | 112.7° | 113.7° |
| O3 | C11 | H14 | 114.8° | 112.9° |
| O3 | C12 | H17 | 109.5° | 109.4° |
| O3 | C12 | H15 | 109.4° | 109.6° |
| O3 | C12 | H16 | 109.4° | 109.5° |
| C11 | C13 | N5 | 86.4° | 86.1° |
| C13 | C11 | H14 | 112.4° | 113.8° |
| C11 | C13 | H19 | 114.9° | 113.8° |
| C11 | C13 | H18 | 114.9° | 113.8° |
| N4 | C14 | H22 | 109.5° | 109.5° |
| N4 | C14 | H21 | 109.4° | 109.5° |
| N4 | C14 | H20 | 109.5° | 109.5° |
| C8 | C15 | C16 | 109.7° | 109.5° |
| C8 | C15 | C17 | 111.2° | 109.5° |
| C8 | C15 | H23 | 108.6° | 109.5° |
| C15 | C8 | H11 | 107.0° | 109.4° |
| C16 | C15 | C17 | 109.6° | 109.5° |
| C16 | C15 | H23 | 108.9° | 109.5° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C17 | C15 | H23 | 108.9° | 109.4° |
| C15 | C17 | H29 | 109.5° | 109.4° |
| C15 | C17 | H28 | 109.5° | 109.5° |
| C15 | C17 | H27 | 109.5° | 109.5° |
| C6 | C18 | C19 | 108.5° | 108.9° |
| C6 | C18 | H31 | 109.7° | 109.6° |
| C6 | C18 | H30 | 109.7° | 109.6° |
| C18 | C6 | H9 | 109.1° | 109.4° |
| C18 | C19 | N6 | 127.8° | 124.3° |
| C18 | C19 | S1 | 119.9° | 125.2° |
| C19 | C18 | H31 | 109.7° | 109.6° |
| C19 | C18 | H30 | 109.7° | 109.5° |
| C19 | N6 | C20 | 112.5° | 117.0° |
| N6 | C19 | S1 | 112.3° | 110.5° |
| N6 | C20 | C21 | 115.6° | 114.2° |
| N6 | C20 | C22 | 118.8° | 122.2° |
| C20 | C21 | S1 | 108.6° | 107.9° |
| C21 | C20 | C22 | 125.5° | 123.6° |
| C20 | C21 | H32 | 125.8° | 126.1° |
| C21 | S1 | C19 | 90.9° | 90.4° |
| S1 | C21 | H32 | 125.7° | 126.0° |
| C20 | C22 | C23 | 118.7° | 119.3° |
| C20 | C22 | C27 | 119.9° | 120.6° |
| C22 | C23 | C24 | 118.6° | 119.5° |
| C23 | C22 | C27 | 121.3° | 120.1° |
| C22 | C23 | H33 | 120.7° | 120.2° |
| C23 | C24 | C25 | 118.9° | 119.9° |
| C23 | C24 | C39 | 133.5° | 133.8° |
| C24 | C23 | H33 | 120.7° | 120.3° |
| C24 | C25 | C26 | 122.2° | 119.6° |
| C24 | C25 | N7 | 107.8° | 107.3° |
| C25 | C24 | C39 | 107.5° | 106.4° |
| C25 | C26 | C27 | 117.8° | 120.2° |
| C26 | C25 | N7 | 130.0° | 133.1° |
| C25 | C26 | H34 | 121.1° | 119.9° |
| C26 | C27 | C22 | 121.1° | 120.7° |
| C27 | C26 | H34 | 121.1° | 119.9° |
| C26 | C27 | H35 | 119.4° | 119.6° |
| C25 | N7 | C28 | 123.7° | 125.1° |
| C25 | N7 | C30 | 108.7° | 109.9° |
| N7 | C28 | C29 | 110.4° | 109.5° |
| C28 | N7 | C30 | 127.5° | 125.0° |
| N7 | C28 | H36 | 109.2° | 109.5° |
| N7 | C28 | H37 | 109.2° | 109.5° |
| C29 | C28 | H36 | 109.2° | 109.5° |
| C29 | C28 | H37 | 109.2° | 109.5° |
| C28 | C29 | H38 | 109.5° | 109.5° |
| C28 | C29 | H39 | 109.5° | 109.5° |
| C28 | C29 | H40 | 109.5° | 109.4° |
| N7 | C30 | C31 | 123.2° | 125.2° |
| N7 | C30 | C39 | 109.0° | 109.5° |
| C30 | C31 | C32 | 123.2° | 120.6° |
| C31 | C30 | C39 | 127.8° | 125.3° |
| C30 | C31 | C38 | 119.1° | 120.5° |
| C31 | C32 | C33 | 124.2° | 119.7° |
| C31 | C32 | N8 | 121.3° | 120.6° |
| C32 | C31 | C38 | 117.7° | 118.9° |
| C32 | C33 | O5 | 106.6° | 109.5° |
| C32 | C33 | C35 | 112.9° | 109.4° |
| C33 | C32 | N8 | 114.3° | 119.7° |
| C32 | C33 | H41 | 108.6° | 109.4° |
| C33 | O5 | C34 | 113.7° | 114.0° |
| O5 | C33 | C35 | 110.3° | 109.5° |
| O5 | C33 | H41 | 109.8° | 109.5° |
| O5 | C34 | H43 | 109.5° | 109.5° |
| O5 | C34 | H42 | 109.5° | 109.5° |
| O5 | C34 | H44 | 109.5° | 109.5° |
| C35 | C33 | H41 | 108.6° | 109.4° |
| C33 | C35 | H47 | 109.5° | 109.4° |
| C33 | C35 | H45 | 109.5° | 109.5° |
| C33 | C35 | H46 | 109.5° | 109.5° |
| C32 | N8 | C36 | 118.8° | 121.8° |
| N8 | C36 | C37 | 123.8° | 121.1° |
| N8 | C36 | H48 | 118.1° | 119.4° |
| C36 | C37 | C38 | 118.3° | 119.3° |
| C37 | C36 | H48 | 118.1° | 119.5° |
| C36 | C37 | H49 | 120.8° | 120.3° |
| C37 | C38 | C31 | 120.0° | 118.3° |
| C38 | C37 | H49 | 120.9° | 120.4° |
| C37 | C38 | H50 | 120.0° | 120.9° |
| C30 | C39 | C40 | 127.7° | 126.5° |
| C30 | C39 | C24 | 106.9° | 106.9° |
| C39 | C40 | C41 | 118.4° | 109.8° |
| C40 | C39 | C24 | 125.4° | 126.5° |
| C39 | C40 | H51 | 107.2° | 109.4° |
| C39 | C40 | H52 | 107.2° | 109.5° |
| C40 | C41 | C42 | 107.6° | 109.5° |
| C40 | C41 | C43 | 112.3° | 109.5° |
| C40 | C41 | C44 | 110.3° | 109.5° |
| C41 | C40 | H51 | 107.2° | 109.4° |
| C41 | C40 | H52 | 107.2° | 109.4° |
| C42 | C41 | C43 | 109.4° | 109.5° |
| C42 | C41 | C44 | 108.4° | 109.4° |
| C41 | C42 | H55 | 109.5° | 109.5° |
| C41 | C42 | H54 | 109.5° | 109.5° |
| C41 | C42 | H53 | 109.5° | 109.4° |
| C43 | C41 | C44 | 108.9° | 109.5° |
| C41 | C43 | H58 | 109.5° | 109.4° |
| C41 | C43 | H56 | 109.5° | 109.5° |
| C41 | C43 | H57 | 109.5° | 109.5° |
| C41 | C44 | O6 | 108.4° | 109.3° |
| C41 | C44 | H60 | 109.7° | 109.5° |
| C41 | C44 | H59 | 109.8° | 109.5° |
| C44 | O6 | C45 | 116.0° | 117.4° |
| O6 | C44 | H60 | 109.7° | 109.5° |
| O6 | C44 | H59 | 109.7° | 109.5° |
| O6 | C45 | O7 | 125.4° | 120.2° |
| O6 | C45 | C2 | 111.0° | 119.6° |
| O7 | C45 | C2 | 123.4° | 120.2° |
| C4 | C1 | H2 | 109.2° | 109.1° |
| C4 | C1 | H1 | 109.2° | 109.1° |
| C1 | C4 | H8 | 109.4° | 109.2° |
| C1 | C4 | H7 | 109.3° | 109.2° |
| N5 | C13 | H19 | 114.9° | 113.8° |
| N5 | C13 | H18 | 114.9° | 113.8° |
| C22 | C27 | H35 | 119.5° | 119.6° |
| C31 | C38 | H50 | 120.0° | 120.9° |
| C45 | C2 | H3 | 109.8° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.0° |
| H12 | C10 | H13 | 109.5° | 112.9° |
| H17 | C12 | H15 | 109.5° | 109.4° |
| H17 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H19 | C13 | H18 | 109.4° | 113.0° |
| H22 | C14 | H21 | 109.5° | 109.5° |
| H22 | C14 | H20 | 109.5° | 109.4° |
| H21 | C14 | H20 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.4° | 109.4° |
| H25 | C16 | H24 | 109.5° | 109.5° |
| H26 | C16 | H24 | 109.4° | 109.5° |
| H29 | C17 | H28 | 109.5° | 109.5° |
| H29 | C17 | H27 | 109.4° | 109.5° |
| H28 | C17 | H27 | 109.4° | 109.5° |
| H31 | C18 | H30 | 109.5° | 109.7° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H40 | 109.4° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.6° |
| H43 | C34 | H42 | 109.5° | 109.4° |
| H43 | C34 | H44 | 109.4° | 109.5° |
| H42 | C34 | H44 | 109.5° | 109.4° |
| H47 | C35 | H45 | 109.5° | 109.5° |
| H47 | C35 | H46 | 109.4° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.5° |
| H8 | C4 | H7 | 109.5° | 109.1° |
| H51 | C40 | H52 | 109.5° | 109.4° |
| H55 | C42 | H54 | 109.5° | 109.5° |
| H55 | C42 | H53 | 109.4° | 109.5° |
| H54 | C42 | H53 | 109.5° | 109.4° |
| H58 | C43 | H56 | 109.5° | 109.4° |
| H58 | C43 | H57 | 109.5° | 109.5° |
| H56 | C43 | H57 | 109.5° | 109.5° |
| H60 | C44 | H59 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | C45 | 119.3° | 120.5° |
| C1 | C2 | N1 | H3 | 120.2° | 120.0° |
| C1 | C2 | N1 | N2 | 56.8° | 65.6° |
| C2 | C1 | C4 | C3 | 56.3° | 21.0° |
| C1 | C2 | C45 | O6 | 66.8° | 164.0° |
| C1 | C2 | C45 | O7 | 110.1° | 16.1° |
| C2 | C1 | C4 | H2 | 120.2° | 120.6° |
| C2 | C1 | C4 | H1 | 120.2° | 120.5° |
| C1 | C2 | C45 | H3 | 120.6° | 120.3° |
| C2 | C1 | H2 | H1 | 119.5° | 118.9° |
| C2 | C1 | C4 | H8 | 63.8° | 99.3° |
| C2 | C1 | C4 | H7 | 176.3° | 141.4° |
| C1 | C2 | N1 | H4 | 177.3° | 170.9° |
| C2 | N1 | N2 | H4 | 120.6° | 123.5° |
| C2 | N1 | N2 | C3 | 59.1° | 28.0° |
| C2 | N1 | N2 | C5 | 120.5° | 152.2° |
| N1 | C2 | C45 | O6 | 174.7° | 43.8° |
| N1 | C2 | C45 | O7 | 8.3° | 136.3° |
| N1 | C2 | C1 | C4 | 56.0° | 38.1° |
| N1 | C2 | C45 | H3 | 121.0° | 119.5° |
| N1 | C2 | C1 | H2 | 64.2° | 82.5° |
| N1 | C2 | C1 | H1 | 176.1° | 158.6° |
| N1 | N2 | C3 | C5 | 179.5° | 179.9° |
| N1 | N2 | C3 | C4 | 55.8° | 32.6° |
| N1 | N2 | C5 | O1 | 175.5° | 178.1° |
| N1 | N2 | C5 | C6 | 3.8° | 1.8° |
| N2 | N1 | C2 | C45 | 176.0° | 173.9° |
| N2 | N1 | C2 | H3 | 63.5° | 54.4° |
| N1 | N2 | C3 | H5 | 175.6° | 152.2° |
| N1 | N2 | C3 | H6 | 64.1° | 87.2° |
| N2 | C3 | C4 | H5 | 119.8° | 119.7° |
| N2 | C3 | C4 | H6 | 119.8° | 119.9° |
| C3 | N2 | C5 | O1 | 5.0° | 2.1° |
| C3 | N2 | C5 | C6 | 175.7° | 178.1° |
| N2 | C3 | C4 | C1 | 53.5° | 57.0° |
| N2 | C3 | H5 | H6 | 120.6° | 120.6° |
| N2 | C3 | C4 | H8 | 66.6° | 63.4° |
| N2 | C3 | C4 | H7 | 173.6° | 177.3° |
| C3 | N2 | N1 | H4 | 179.6° | 151.5° |
| C4 | C3 | N2 | C5 | 123.8° | 147.3° |
| C3 | C4 | C1 | H8 | 120.1° | 120.4° |
| C3 | C4 | C1 | H7 | 120.1° | 120.4° |
| C3 | C4 | C1 | H2 | 63.9° | 141.6° |
| C3 | C4 | C1 | H1 | 176.4° | 99.4° |
| C4 | C3 | H5 | H6 | 120.5° | 120.4° |
| C3 | C4 | H8 | H7 | 119.8° | 119.3° |
| N2 | C5 | O1 | C6 | 179.3° | 179.9° |
| N2 | C5 | C6 | N3 | 154.7° | 75.2° |
| N2 | C5 | C6 | C18 | 85.5° | 164.7° |
| C5 | N2 | C3 | H5 | 3.9° | 27.6° |
| C5 | N2 | C3 | H6 | 116.4° | 92.9° |
| N2 | C5 | C6 | H9 | 32.8° | 44.7° |
| C5 | N2 | N1 | H4 | 0.1° | 28.7° |
| O1 | C5 | C6 | N3 | 24.6° | 104.9° |
| O1 | C5 | C6 | C18 | 95.2° | 15.2° |
| O1 | C5 | C6 | H9 | 146.5° | 135.2° |
| C5 | C6 | N3 | C18 | 118.8° | 120.4° |
| C5 | C6 | N3 | H9 | 121.3° | 119.8° |
| C5 | C6 | N3 | C7 | 106.3° | 55.1° |
| C5 | C6 | C18 | H9 | 118.4° | 120.1° |
| C5 | C6 | C18 | C19 | 139.9° | 151.0° |
| C5 | C6 | C18 | H31 | 100.3° | 31.2° |
| C5 | C6 | C18 | H30 | 20.0° | 89.2° |
| C5 | C6 | N3 | H10 | 73.8° | 124.9° |
| C6 | N3 | C7 | H10 | 180.0° | 180.0° |
| C6 | N3 | C7 | C8 | 177.7° | 174.8° |
| C6 | N3 | C7 | O4 | 3.1° | 5.2° |
| N3 | C6 | C18 | H9 | 120.6° | 119.9° |
| N3 | C6 | C18 | C19 | 99.1° | 88.9° |
| N3 | C6 | C18 | H31 | 20.7° | 151.2° |
| N3 | C6 | C18 | H30 | 141.0° | 30.8° |
| N3 | C7 | C8 | O4 | 179.3° | 180.0° |
| N3 | C7 | C8 | N4 | 111.5° | 157.0° |
| N3 | C7 | C8 | C15 | 121.6° | 82.9° |
| C7 | N3 | C6 | C18 | 134.9° | 65.2° |
| C7 | N3 | C6 | H9 | 15.0° | 174.9° |
| N3 | C7 | C8 | H11 | 4.5° | 37.0° |
| C7 | C8 | N4 | C15 | 125.5° | 120.0° |
| C7 | C8 | N4 | H11 | 115.3° | 120.0° |
| C7 | C8 | N4 | C9 | 96.6° | 126.2° |
| C7 | C8 | N4 | C14 | 83.1° | 53.8° |
| C7 | C8 | C15 | H11 | 117.2° | 120.0° |
| C7 | C8 | C15 | C16 | 57.1° | 62.9° |
| C7 | C8 | C15 | C17 | 178.5° | 177.1° |
| C7 | C8 | C15 | H23 | 61.7° | 57.1° |
| C8 | C7 | N3 | H10 | 2.3° | 5.3° |
| C8 | N4 | C9 | C14 | 179.7° | 180.0° |
| C8 | N4 | C9 | O2 | 13.1° | 177.0° |
| C8 | N4 | C9 | N5 | 162.9° | 3.0° |
| N4 | C8 | C15 | H11 | 119.8° | 120.0° |
| N4 | C8 | C15 | C16 | 179.8° | 177.1° |
| N4 | C8 | C15 | C17 | 58.5° | 57.1° |
| N4 | C8 | C7 | O4 | 69.3° | 23.0° |
| C8 | N4 | C14 | H22 | 180.0° | 86.2° |
| C8 | N4 | C14 | H21 | 60.0° | 153.7° |
| C8 | N4 | C14 | H20 | 60.0° | 33.7° |
| N4 | C8 | C15 | H23 | 61.3° | 62.9° |
| N4 | C9 | O2 | N5 | 176.3° | 180.0° |
| N4 | C9 | N5 | C10 | 171.8° | 176.8° |
| C9 | N4 | C8 | C15 | 137.9° | 113.8° |
| N4 | C9 | N5 | C13 | 18.6° | 3.1° |
| C9 | N4 | C14 | H22 | 0.3° | 93.8° |
| C9 | N4 | C14 | H21 | 119.7° | 26.2° |
| C9 | N4 | C14 | H20 | 120.3° | 146.3° |
| C9 | N4 | C8 | H11 | 18.7° | 6.2° |
| O2 | C9 | N5 | C10 | 12.1° | 3.2° |
| O2 | C9 | N4 | C14 | 166.6° | 3.0° |
| O2 | C9 | N5 | C13 | 157.5° | 176.9° |
| C9 | N5 | C10 | C13 | 172.8° | 179.9° |
| C9 | N5 | C10 | C11 | 153.0° | 155.4° |
| C9 | N5 | C13 | C11 | 152.2° | 155.4° |
| N5 | C9 | N4 | C14 | 17.4° | 177.0° |
| C9 | N5 | C10 | H12 | 37.2° | 41.1° |
| C9 | N5 | C10 | H13 | 91.2° | 90.3° |
| C9 | N5 | C13 | H19 | 36.4° | 90.3° |
| C9 | N5 | C13 | H18 | 91.9° | 41.1° |
| N5 | C10 | C11 | H12 | 115.8° | 114.3° |
| N5 | C10 | C11 | H13 | 115.8° | 114.5° |
| N5 | C10 | C11 | O3 | 95.0° | 138.0° |
| C10 | N5 | C13 | C11 | 19.8° | 24.7° |
| N5 | C10 | H12 | H13 | 131.0° | 131.9° |
| N5 | C10 | C11 | H14 | 131.7° | 90.8° |
| C10 | N5 | C13 | H19 | 135.7° | 89.6° |
| C10 | N5 | C13 | H18 | 96.0° | 139.0° |
| C10 | C11 | O3 | C13 | 97.4° | 96.7° |
| C10 | C11 | O3 | H14 | 132.1° | 131.7° |
| C10 | C11 | O3 | C12 | 179.1° | 150.0° |
| C10 | C11 | C13 | H14 | 112.9° | 114.4° |
| C11 | C10 | H12 | H13 | 131.0° | 131.6° |
| C10 | C11 | C13 | H19 | 134.4° | 90.7° |
| C10 | C11 | C13 | H18 | 97.3° | 138.0° |
| O3 | C11 | C13 | H14 | 131.7° | 131.2° |
| O3 | C11 | C13 | N5 | 96.8° | 138.0° |
| O3 | C11 | C10 | H12 | 20.8° | 107.7° |
| O3 | C11 | C10 | H13 | 149.2° | 23.5° |
| C11 | O3 | C12 | H17 | 180.0° | 60.0° |
| C11 | O3 | C12 | H15 | 60.0° | 180.0° |
| C11 | O3 | C12 | H16 | 60.0° | 59.9° |
| O3 | C11 | C13 | H19 | 19.0° | 23.7° |
| O3 | C11 | C13 | H18 | 147.4° | 107.6° |
| C12 | O3 | C11 | C13 | 83.5° | 113.3° |
| C12 | O3 | C11 | H14 | 47.0° | 18.3° |
| O3 | C12 | H17 | H15 | 120.0° | 120.1° |
| O3 | C12 | H17 | H16 | 120.0° | 119.9° |
| O3 | C12 | H15 | H16 | 119.9° | 120.1° |
| C11 | C13 | N5 | H19 | 115.9° | 114.3° |
| C11 | C13 | N5 | H18 | 115.8° | 114.3° |
| C13 | C11 | C10 | H12 | 134.5° | 137.9° |
| C13 | C11 | C10 | H13 | 97.2° | 90.8° |
| C11 | C13 | H19 | H18 | 131.0° | 131.7° |
| C14 | N4 | C8 | C15 | 42.4° | 66.3° |
| N4 | C14 | H22 | H21 | 120.0° | 120.1° |
| N4 | C14 | H22 | H20 | 120.0° | 119.9° |
| N4 | C14 | H21 | H20 | 120.0° | 120.0° |
| C14 | N4 | C8 | H11 | 161.6° | 173.8° |
| C8 | C15 | C16 | C17 | 122.3° | 120.0° |
| C8 | C15 | C16 | H23 | 118.7° | 120.0° |
| C8 | C15 | C17 | H23 | 119.6° | 120.0° |
| C15 | C8 | C7 | O4 | 57.6° | 97.1° |
| C8 | C15 | C16 | H25 | 180.0° | 172.8° |
| C8 | C15 | C16 | H26 | 60.0° | 67.3° |
| C8 | C15 | C16 | H24 | 60.0° | 52.7° |
| C8 | C15 | C17 | H29 | 180.0° | 60.0° |
| C8 | C15 | C17 | H28 | 60.0° | 60.0° |
| C8 | C15 | C17 | H27 | 60.0° | 180.0° |
| C16 | C15 | C17 | H23 | 119.0° | 120.0° |
| C15 | C16 | H25 | H26 | 120.0° | 120.0° |
| C15 | C16 | H25 | H24 | 120.0° | 120.0° |
| C15 | C16 | H26 | H24 | 120.0° | 120.0° |
| C16 | C15 | C17 | H29 | 58.6° | 60.0° |
| C16 | C15 | C17 | H28 | 61.4° | 180.0° |
| C16 | C15 | C17 | H27 | 178.6° | 59.9° |
| C16 | C15 | C8 | H11 | 60.1° | 57.1° |
| C17 | C15 | C16 | H25 | 57.7° | 52.7° |
| C17 | C15 | C16 | H26 | 177.7° | 172.7° |
| C17 | C15 | C16 | H24 | 62.3° | 67.3° |
| C15 | C17 | H29 | H28 | 120.0° | 120.0° |
| C15 | C17 | H29 | H27 | 120.0° | 120.0° |
| C15 | C17 | H28 | H27 | 120.0° | 120.0° |
| C17 | C15 | C8 | H11 | 61.3° | 62.9° |
| O4 | C7 | C8 | H11 | 174.8° | 143.0° |
| O4 | C7 | N3 | H10 | 176.9° | 174.7° |
| C6 | C18 | C19 | H31 | 119.8° | 119.9° |
| C6 | C18 | C19 | H30 | 119.9° | 119.8° |
| C6 | C18 | C19 | N6 | 112.3° | 6.0° |
| C6 | C18 | C19 | S1 | 66.3° | 174.0° |
| C6 | C18 | H31 | H30 | 120.4° | 120.3° |
| C18 | C6 | N3 | H10 | 45.1° | 114.8° |
| C18 | C19 | N6 | S1 | 178.7° | 180.0° |
| C18 | C19 | N6 | C20 | 179.2° | 179.4° |
| C18 | C19 | S1 | C21 | 178.4° | 179.4° |
| C19 | C18 | H31 | H30 | 120.5° | 120.2° |
| C19 | C18 | C6 | H9 | 21.5° | 31.0° |
| C19 | N6 | C20 | C21 | 1.5° | 0.3° |
| N6 | C19 | S1 | C21 | 0.4° | 0.6° |
| C19 | N6 | C20 | C22 | 177.8° | 179.3° |
| N6 | C19 | C18 | H31 | 127.9° | 113.9° |
| N6 | C19 | C18 | H30 | 7.6° | 125.8° |
| N6 | C20 | C21 | C22 | 179.2° | 179.6° |
| N6 | C20 | C21 | S1 | 1.7° | 0.1° |
| N6 | C20 | C22 | C23 | 15.6° | 5.2° |
| C20 | N6 | C19 | S1 | 0.5° | 0.7° |
| N6 | C20 | C22 | C27 | 165.0° | 174.7° |
| N6 | C20 | C21 | H32 | 178.3° | 179.8° |
| C20 | C21 | S1 | H32 | 180.0° | 179.9° |
| C21 | C20 | C22 | C23 | 165.2° | 175.3° |
| C20 | C21 | S1 | C19 | 1.1° | 0.4° |
| C21 | C20 | C22 | C27 | 14.3° | 4.9° |
| S1 | C21 | C20 | C22 | 177.6° | 179.7° |
| C20 | C22 | C23 | C27 | 179.5° | 179.9° |
| C20 | C22 | C23 | C24 | 179.2° | 179.6° |
| C20 | C22 | C27 | C26 | 180.0° | 179.1° |
| C22 | C20 | C21 | H32 | 2.4° | 0.2° |
| C20 | C22 | C23 | H33 | 0.9° | 0.4° |
| C20 | C22 | C27 | H35 | 0.0° | 0.8° |
| C22 | C23 | C24 | H33 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.1° | 0.6° |
| C23 | C22 | C27 | C26 | 0.6° | 0.7° |
| C22 | C23 | C24 | C39 | 179.0° | 178.9° |
| C23 | C22 | C27 | H35 | 179.4° | 179.3° |
| C23 | C24 | C25 | C39 | 179.9° | 179.6° |
| C23 | C24 | C25 | C26 | 0.1° | 1.2° |
| C23 | C24 | C25 | N7 | 179.7° | 178.7° |
| C23 | C24 | C39 | C30 | 179.5° | 179.1° |
| C23 | C24 | C39 | C40 | 1.5° | 1.4° |
| C24 | C23 | C22 | C27 | 1.4° | 0.3° |
| C24 | C25 | C26 | N7 | 179.7° | 179.9° |
| C24 | C25 | C26 | C27 | 0.8° | 0.7° |
| C24 | C25 | N7 | C28 | 176.9° | 178.7° |
| C24 | C25 | N7 | C30 | 0.9° | 1.3° |
| C25 | C24 | C39 | C30 | 0.6° | 1.4° |
| C25 | C24 | C39 | C40 | 178.7° | 178.2° |
| C25 | C24 | C23 | H33 | 178.9° | 179.4° |
| C24 | C25 | C26 | H34 | 179.3° | 179.3° |
| C25 | C26 | C27 | H34 | 180.0° | 180.0° |
| C26 | C25 | N7 | C28 | 3.3° | 1.2° |
| C26 | C25 | N7 | C30 | 179.3° | 178.8° |
| C25 | C26 | C27 | C22 | 0.5° | 0.2° |
| C26 | C25 | C24 | C39 | 180.0° | 178.5° |
| C25 | C26 | C27 | H35 | 179.5° | 179.8° |
| C27 | C26 | C25 | N7 | 179.5° | 179.2° |
| C26 | C27 | C22 | H35 | 180.0° | 180.0° |
| C25 | N7 | C28 | C30 | 175.2° | 180.0° |
| C25 | N7 | C28 | C29 | 84.4° | 90.0° |
| C25 | N7 | C30 | C31 | 177.9° | 179.5° |
| C25 | N7 | C30 | C39 | 1.3° | 0.4° |
| N7 | C25 | C24 | C39 | 0.2° | 1.6° |
| N7 | C25 | C26 | H34 | 0.5° | 0.8° |
| C25 | N7 | C28 | H36 | 155.5° | 30.0° |
| C25 | N7 | C28 | H37 | 35.7° | 150.0° |
| N7 | C28 | C29 | H36 | 120.1° | 120.0° |
| N7 | C28 | C29 | H37 | 120.1° | 120.0° |
| C28 | N7 | C30 | C31 | 2.1° | 0.5° |
| C28 | N7 | C30 | C39 | 177.1° | 179.6° |
| N7 | C28 | H36 | H37 | 119.6° | 120.0° |
| N7 | C28 | C29 | H38 | 180.0° | 180.0° |
| N7 | C28 | C29 | H39 | 60.0° | 60.0° |
| N7 | C28 | C29 | H40 | 60.0° | 60.0° |
| C29 | C28 | N7 | C30 | 90.8° | 90.0° |
| C29 | C28 | H36 | H37 | 119.6° | 120.0° |
| C28 | C29 | H38 | H39 | 120.0° | 120.0° |
| C28 | C29 | H38 | H40 | 120.0° | 120.0° |
| C28 | C29 | H39 | H40 | 120.0° | 120.0° |
| N7 | C30 | C31 | C39 | 179.0° | 179.9° |
| N7 | C30 | C31 | C32 | 69.5° | 90.0° |
| N7 | C30 | C39 | C40 | 179.2° | 179.0° |
| N7 | C30 | C31 | C38 | 112.4° | 89.7° |
| N7 | C30 | C39 | C24 | 1.2° | 0.6° |
| C30 | N7 | C28 | H36 | 29.3° | 150.0° |
| C30 | N7 | C28 | H37 | 149.1° | 30.0° |
| C30 | C31 | C32 | C38 | 178.2° | 179.7° |
| C30 | C31 | C32 | C33 | 3.2° | 0.0° |
| C30 | C31 | C32 | N8 | 179.1° | 179.9° |
| C30 | C31 | C38 | C37 | 179.9° | 180.0° |
| C31 | C30 | C39 | C40 | 0.0° | 0.9° |
| C31 | C30 | C39 | C24 | 178.0° | 179.5° |
| C30 | C31 | C38 | H50 | 0.1° | 0.1° |
| C31 | C32 | C33 | N8 | 176.1° | 179.9° |
| C31 | C32 | C33 | O5 | 109.2° | 135.0° |
| C31 | C32 | C33 | C35 | 129.5° | 105.0° |
| C31 | C32 | N8 | C36 | 2.8° | 0.1° |
| C32 | C31 | C38 | C37 | 1.6° | 0.3° |
| C32 | C31 | C30 | C39 | 111.5° | 89.9° |
| C31 | C32 | C33 | H41 | 9.0° | 14.9° |
| C32 | C31 | C38 | H50 | 178.4° | 179.8° |
| C32 | C33 | O5 | C35 | 122.8° | 120.0° |
| C32 | C33 | O5 | H41 | 117.4° | 120.0° |
| C32 | C33 | O5 | C34 | 168.6° | 150.0° |
| C32 | C33 | C35 | H41 | 120.5° | 119.9° |
| C33 | C32 | N8 | C36 | 179.0° | 180.0° |
| C33 | C32 | C31 | C38 | 178.6° | 179.7° |
| C32 | C33 | C35 | H47 | 180.0° | 60.0° |
| C32 | C33 | C35 | H45 | 60.0° | 60.0° |
| C32 | C33 | C35 | H46 | 60.0° | 180.0° |
| O5 | C33 | C35 | H41 | 120.4° | 120.1° |
| O5 | C33 | C32 | N8 | 66.9° | 44.9° |
| C33 | O5 | C34 | H43 | 180.0° | 180.0° |
| C33 | O5 | C34 | H42 | 60.0° | 60.0° |
| C33 | O5 | C34 | H44 | 60.0° | 59.9° |
| O5 | C33 | C35 | H47 | 61.0° | 60.0° |
| O5 | C33 | C35 | H45 | 59.1° | 180.0° |
| O5 | C33 | C35 | H46 | 179.1° | 60.0° |
| C34 | O5 | C33 | C35 | 68.5° | 90.0° |
| C34 | O5 | C33 | H41 | 51.2° | 30.0° |
| O5 | C34 | H43 | H42 | 120.0° | 120.0° |
| O5 | C34 | H43 | H44 | 120.0° | 120.1° |
| O5 | C34 | H42 | H44 | 120.0° | 120.0° |
| C35 | C33 | C32 | N8 | 54.3° | 75.1° |
| C33 | C35 | H47 | H45 | 120.0° | 120.0° |
| C33 | C35 | H47 | H46 | 120.0° | 120.0° |
| C33 | C35 | H45 | H46 | 120.0° | 120.0° |
| C32 | N8 | C36 | C37 | 1.7° | 0.3° |
| N8 | C32 | C31 | C38 | 2.8° | 0.2° |
| N8 | C32 | C33 | H41 | 174.9° | 165.0° |
| C32 | N8 | C36 | H48 | 178.2° | 180.0° |
| N8 | C36 | C37 | H48 | 180.0° | 179.7° |
| N8 | C36 | C37 | C38 | 0.6° | 0.3° |
| N8 | C36 | C37 | H49 | 179.4° | 179.8° |
| C36 | C37 | C38 | H49 | 180.0° | 180.0° |
| C36 | C37 | C38 | C31 | 0.6° | 0.0° |
| C36 | C37 | C38 | H50 | 179.4° | 180.0° |
| C37 | C38 | C31 | H50 | 180.0° | 179.9° |
| C38 | C37 | C36 | H48 | 179.4° | 180.0° |
| C30 | C39 | C40 | C24 | 177.7° | 179.5° |
| C30 | C39 | C40 | C41 | 94.8° | 100.7° |
| C39 | C30 | C31 | C38 | 66.6° | 90.4° |
| C30 | C39 | C40 | H51 | 26.5° | 139.2° |
| C30 | C39 | C40 | H52 | 143.9° | 19.4° |
| C39 | C40 | C41 | H51 | 121.3° | 120.1° |
| C39 | C40 | C41 | H52 | 121.2° | 120.1° |
| C39 | C40 | C41 | C42 | 178.1° | 44.7° |
| C39 | C40 | C41 | C43 | 61.5° | 75.4° |
| C39 | C40 | C41 | C44 | 60.2° | 164.6° |
| C39 | C40 | H51 | H52 | 115.9° | 119.9° |
| C40 | C41 | C42 | C43 | 122.2° | 120.0° |
| C40 | C41 | C42 | C44 | 119.2° | 120.0° |
| C40 | C41 | C43 | C44 | 122.4° | 120.0° |
| C40 | C41 | C44 | O6 | 69.8° | 107.4° |
| C41 | C40 | C39 | C24 | 87.5° | 79.8° |
| C41 | C40 | H51 | H52 | 115.9° | 119.8° |
| C40 | C41 | C42 | H55 | 180.0° | 60.0° |
| C40 | C41 | C42 | H54 | 60.0° | 179.9° |
| C40 | C41 | C42 | H53 | 60.0° | 60.0° |
| C40 | C41 | C43 | H58 | 180.0° | 60.0° |
| C40 | C41 | C43 | H56 | 60.0° | 179.9° |
| C40 | C41 | C43 | H57 | 60.0° | 60.0° |
| C40 | C41 | C44 | H60 | 50.0° | 12.5° |
| C40 | C41 | C44 | H59 | 170.4° | 132.6° |
| C42 | C41 | C43 | C44 | 118.3° | 120.0° |
| C42 | C41 | C44 | O6 | 47.7° | 12.5° |
| C42 | C41 | C40 | H51 | 60.6° | 75.4° |
| C42 | C41 | C40 | H52 | 56.9° | 164.8° |
| C41 | C42 | H55 | H54 | 120.0° | 120.0° |
| C41 | C42 | H55 | H53 | 120.0° | 120.0° |
| C41 | C42 | H54 | H53 | 120.0° | 119.9° |
| C42 | C41 | C43 | H58 | 60.7° | 60.0° |
| C42 | C41 | C43 | H56 | 179.3° | 59.9° |
| C42 | C41 | C43 | H57 | 59.3° | 180.0° |
| C42 | C41 | C44 | H60 | 167.5° | 132.5° |
| C42 | C41 | C44 | H59 | 72.1° | 107.4° |
| C43 | C41 | C44 | O6 | 166.6° | 132.5° |
| C43 | C41 | C40 | H51 | 59.8° | 164.6° |
| C43 | C41 | C40 | H52 | 177.3° | 44.8° |
| C43 | C41 | C42 | H55 | 57.8° | 180.0° |
| C43 | C41 | C42 | H54 | 62.2° | 59.9° |
| C43 | C41 | C42 | H53 | 177.8° | 60.0° |
| C41 | C43 | H58 | H56 | 120.0° | 120.0° |
| C41 | C43 | H58 | H57 | 120.0° | 120.0° |
| C41 | C43 | H56 | H57 | 120.0° | 120.1° |
| C43 | C41 | C44 | H60 | 73.6° | 107.5° |
| C43 | C41 | C44 | H59 | 46.8° | 12.6° |
| C41 | C44 | O6 | H60 | 119.8° | 120.0° |
| C41 | C44 | O6 | H59 | 119.9° | 119.9° |
| C41 | C44 | O6 | C45 | 171.6° | 162.5° |
| C44 | C41 | C40 | H51 | 178.5° | 44.5° |
| C44 | C41 | C40 | H52 | 61.1° | 75.2° |
| C44 | C41 | C42 | H55 | 60.8° | 60.0° |
| C44 | C41 | C42 | H54 | 179.2° | 60.1° |
| C44 | C41 | C42 | H53 | 59.2° | 180.0° |
| C44 | C41 | C43 | H58 | 57.6° | 180.0° |
| C44 | C41 | C43 | H56 | 62.4° | 60.0° |
| C44 | C41 | C43 | H57 | 177.6° | 60.0° |
| C41 | C44 | H60 | H59 | 120.5° | 120.1° |
| C44 | O6 | C45 | O7 | 6.0° | 0.5° |
| C44 | O6 | C45 | C2 | 170.9° | 179.4° |
| O6 | C44 | H60 | H59 | 120.5° | 120.1° |
| O6 | C45 | O7 | C2 | 176.5° | 179.9° |
| O6 | C45 | C2 | H3 | 53.7° | 75.7° |
| C45 | O6 | C44 | H60 | 68.6° | 77.5° |
| C45 | O6 | C44 | H59 | 51.8° | 42.6° |
| O7 | C45 | C2 | H3 | 129.3° | 104.2° |
| C4 | C1 | C2 | C45 | 174.3° | 158.0° |
| C4 | C1 | H2 | H1 | 119.5° | 119.0° |
| C4 | C1 | C2 | H3 | 65.0° | 81.8° |
| C1 | C4 | C3 | H5 | 173.3° | 176.7° |
| C1 | C4 | C3 | H6 | 66.3° | 62.9° |
| C1 | C4 | H8 | H7 | 119.8° | 119.3° |
| C13 | N5 | C10 | H12 | 135.5° | 138.9° |
| C13 | N5 | C10 | H13 | 96.1° | 89.6° |
| N5 | C13 | C11 | H14 | 131.5° | 90.8° |
| N5 | C13 | H19 | H18 | 131.0° | 131.8° |
| S1 | C19 | C18 | H31 | 53.5° | 66.2° |
| S1 | C19 | C18 | H30 | 173.9° | 54.2° |
| C19 | S1 | C21 | H32 | 178.9° | 179.5° |
| C27 | C22 | C23 | H33 | 178.6° | 179.7° |
| C22 | C27 | C26 | H34 | 179.5° | 179.8° |
| C31 | C38 | C37 | H49 | 179.4° | 179.9° |
| C45 | C2 | C1 | H2 | 54.1° | 37.5° |
| C45 | C2 | C1 | H1 | 65.5° | 81.4° |
| C45 | C2 | N1 | H4 | 63.4° | 50.4° |
| C39 | C24 | C23 | H33 | 1.0° | 1.1° |
| C24 | C39 | C40 | H51 | 151.2° | 40.3° |
| C24 | C39 | C40 | H52 | 33.7° | 160.1° |
| H2 | C1 | C2 | H3 | 174.8° | 157.7° |
| H2 | C1 | C4 | H8 | 176.0° | 21.2° |
| H2 | C1 | C4 | H7 | 56.1° | 98.0° |
| H1 | C1 | C2 | H3 | 55.2° | 38.8° |
| H1 | C1 | C4 | H8 | 56.3° | 140.2° |
| H1 | C1 | C4 | H7 | 63.5° | 20.9° |
| H12 | C10 | C11 | H14 | 112.4° | 23.5° |
| H13 | C10 | C11 | H14 | 15.9° | 154.7° |
| H14 | C11 | C13 | H19 | 112.7° | 154.9° |
| H14 | C11 | C13 | H18 | 15.6° | 23.5° |
| H17 | C12 | H15 | H16 | 120.0° | 120.0° |
| H22 | C14 | H21 | H20 | 120.0° | 120.0° |
| H23 | C15 | C16 | H25 | 61.3° | 67.2° |
| H23 | C15 | C16 | H26 | 58.7° | 52.7° |
| H23 | C15 | C16 | H24 | 178.6° | 172.7° |
| H23 | C15 | C17 | H29 | 60.4° | 180.0° |
| H23 | C15 | C17 | H28 | 179.6° | 60.0° |
| H23 | C15 | C17 | H27 | 59.6° | 60.0° |
| H23 | C15 | C8 | H11 | 178.9° | 177.1° |
| H25 | C16 | H26 | H24 | 120.0° | 120.0° |
| H29 | C17 | H28 | H27 | 119.9° | 120.0° |
| H31 | C18 | C6 | H9 | 141.3° | 88.9° |
| H30 | C18 | C6 | H9 | 98.4° | 150.7° |
| H3 | C2 | N1 | H4 | 57.1° | 69.1° |
| H34 | C26 | C27 | H35 | 0.5° | 0.2° |
| H36 | C28 | C29 | H38 | 59.9° | 60.0° |
| H36 | C28 | C29 | H39 | 179.9° | 60.0° |
| H36 | C28 | C29 | H40 | 60.1° | 180.0° |
| H37 | C28 | C29 | H38 | 59.9° | 60.0° |
| H37 | C28 | C29 | H39 | 60.1° | 180.0° |
| H37 | C28 | C29 | H40 | 179.9° | 60.0° |
| H38 | C29 | H39 | H40 | 120.0° | 120.0° |
| H5 | C3 | C4 | H8 | 53.2° | 56.3° |
| H5 | C3 | C4 | H7 | 66.6° | 62.9° |
| H6 | C3 | C4 | H8 | 173.6° | 176.7° |
| H6 | C3 | C4 | H7 | 53.7° | 57.4° |
| H41 | C33 | C35 | H47 | 59.5° | 179.9° |
| H41 | C33 | C35 | H45 | 179.5° | 60.0° |
| H41 | C33 | C35 | H46 | 60.5° | 60.1° |
| H43 | C34 | H42 | H44 | 120.0° | 120.0° |
| H47 | C35 | H45 | H46 | 119.9° | 120.0° |
| H48 | C36 | C37 | H49 | 0.6° | 0.1° |
| H49 | C37 | C38 | H50 | 0.6° | 0.0° |
| H55 | C42 | H54 | H53 | 120.0° | 120.0° |
| H58 | C43 | H56 | H57 | 120.0° | 120.0° |
| H9 | C6 | N3 | H10 | 165.0° | 5.1° |
