A1AN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C35 | sing | 1.53Å | 1.53Å | |
| O12 | C33 | doub | 1.21Å | 1.23Å | |
| O13 | C34 | sing | 1.43Å | 1.42Å | |
| C35 | C38 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C38 | O14 | sing | 1.43Å | 1.45Å | |
| C34 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | N8 | sing | 1.35Å | 1.33Å | |
| O15 | P2 | sing | 1.61Å | 1.52Å | |
| O11 | C30 | doub | 1.21Å | 1.23Å | |
| O14 | P2 | sing | 1.61Å | 1.61Å | |
| N8 | C32 | sing | 1.46Å | 1.46Å | |
| P2 | O16 | doub | 1.48Å | 1.52Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | N7 | sing | 1.35Å | 1.34Å | |
| O10 | C27 | doub | 1.21Å | 1.21Å | |
| N7 | C29 | sing | 1.46Å | 1.45Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C27 | N6 | sing | 1.35Å | 1.34Å | |
| C27 | O9 | sing | 1.35Å | 1.35Å | |
| O1 | C9 | doub | 1.21Å | 1.23Å | |
| N3 | C10 | sing | 1.47Å | 1.46Å | |
| N3 | C9 | sing | 1.35Å | 1.34Å | |
| C28 | N6 | sing | 1.46Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| O9 | C26 | sing | 1.45Å | 1.46Å | |
| O5 | C20 | sing | 1.43Å | 1.46Å | |
| O5 | P1 | sing | 1.61Å | 1.62Å | |
| N5 | C14 | sing | 1.47Å | 1.46Å | |
| N5 | C15 | sing | 1.35Å | 1.33Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C17 | C20 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C11 | N4 | sing | 1.46Å | 1.46Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | O3 | doub | 1.21Å | 1.23Å | |
| P1 | O6 | sing | 1.61Å | 1.52Å | |
| P1 | O7 | doub | 1.48Å | 1.52Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C26 | C39 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.54Å | 1.52Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C16 | O4 | sing | 1.43Å | 1.42Å | |
| C7 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.54Å | 1.52Å | |
| N4 | C12 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.49Å | |
| C23 | C3 | doub | 1.33Å | 1.35Å | |
| C23 | C42 | sing | 1.50Å | 1.52Å | |
| C3 | N2 | sing | 1.40Å | 1.34Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| N2 | N1 | sing | 1.40Å | 1.38Å | |
| C42 | C2 | sing | 1.50Å | 1.51Å | |
| N1 | C2 | doub | 1.28Å | 1.28Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| N4 | H60 | sing | 0.97Å | 1.00Å | |
| N5 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| N7 | H63 | sing | 0.97Å | 1.00Å | |
| N8 | H64 | sing | 0.97Å | 1.00Å | |
| O13 | H65 | sing | 0.97Å | 0.95Å | |
| O15 | H66 | sing | 0.97Å | 0.95Å | |
| O4 | H68 | sing | 0.97Å | 0.95Å | |
| O6 | H69 | sing | 0.97Å | 0.95Å | |
| P2 | O8 | sing | 1.61Å | 1.62Å | |
| P1 | O17 | sing | 1.61Å | 1.63Å | |
| N2 | H71 | sing | 0.97Å | 1.00Å | |
| O8 | H13 | sing | 0.97Å | 0.95Å | |
| O17 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C35 | C38 | 108.2° | 109.5° |
| C37 | C35 | C36 | 107.9° | 109.4° |
| C37 | C35 | C34 | 108.4° | 109.5° |
| C35 | C37 | H48 | 109.5° | 109.5° |
| C35 | C37 | H49 | 109.5° | 109.5° |
| C35 | C37 | H50 | 109.5° | 109.4° |
| O12 | C33 | C34 | 119.8° | 120.0° |
| O12 | C33 | N8 | 123.0° | 120.0° |
| O13 | C34 | C35 | 110.9° | 109.5° |
| O13 | C34 | C33 | 110.0° | 109.5° |
| O13 | C34 | H44 | 106.7° | 109.4° |
| C34 | O13 | H65 | 109.5° | 114.0° |
| C38 | C35 | C36 | 110.7° | 109.5° |
| C38 | C35 | C34 | 112.3° | 109.5° |
| C35 | C38 | O14 | 109.4° | 109.5° |
| C35 | C38 | H51 | 109.5° | 109.5° |
| C35 | C38 | H52 | 109.5° | 109.5° |
| C36 | C35 | C34 | 109.2° | 109.5° |
| C35 | C36 | H45 | 109.5° | 109.5° |
| C35 | C36 | H46 | 109.5° | 109.5° |
| C35 | C36 | H47 | 109.5° | 109.5° |
| C35 | C34 | C33 | 117.3° | 109.5° |
| C35 | C34 | H44 | 105.5° | 109.5° |
| C38 | O14 | P2 | 115.8° | 123.0° |
| O14 | C38 | H51 | 109.5° | 109.4° |
| O14 | C38 | H52 | 109.5° | 109.4° |
| C34 | C33 | N8 | 117.1° | 120.0° |
| C33 | C34 | H44 | 105.7° | 109.5° |
| C33 | N8 | C32 | 125.4° | 120.0° |
| C33 | N8 | H64 | 117.3° | 120.0° |
| O15 | P2 | O14 | 107.8° | 109.5° |
| O15 | P2 | O16 | 113.1° | 109.4° |
| P2 | O15 | H66 | 109.5° | 114.0° |
| O15 | P2 | O8 | 105.0° | 109.4° |
| O11 | C30 | C31 | 121.0° | 120.0° |
| O11 | C30 | N7 | 122.0° | 120.0° |
| O14 | P2 | O16 | 108.6° | 109.5° |
| O14 | P2 | O8 | 114.3° | 109.5° |
| N8 | C32 | C31 | 113.6° | 109.5° |
| N8 | C32 | H42 | 108.4° | 109.5° |
| N8 | C32 | H43 | 108.4° | 109.4° |
| C32 | N8 | H64 | 117.3° | 120.0° |
| O16 | P2 | O8 | 108.2° | 109.5° |
| C30 | C31 | C32 | 114.7° | 109.5° |
| C31 | C30 | N7 | 116.9° | 120.0° |
| C30 | C31 | H40 | 108.2° | 109.5° |
| C30 | C31 | H41 | 108.1° | 109.5° |
| C32 | C31 | H40 | 108.2° | 109.5° |
| C32 | C31 | H41 | 108.2° | 109.5° |
| C31 | C32 | H42 | 108.4° | 109.5° |
| C31 | C32 | H43 | 108.4° | 109.5° |
| C30 | N7 | C29 | 122.0° | 120.0° |
| C30 | N7 | H63 | 119.0° | 120.0° |
| O10 | C27 | N6 | 124.6° | 120.0° |
| O10 | C27 | O9 | 125.0° | 120.0° |
| N7 | C29 | C28 | 110.3° | 109.5° |
| N7 | C29 | H38 | 109.3° | 109.5° |
| N7 | C29 | H39 | 109.3° | 109.4° |
| C29 | N7 | H63 | 119.0° | 120.0° |
| C19 | C17 | C20 | 109.4° | 109.5° |
| C19 | C17 | C18 | 108.8° | 109.5° |
| C19 | C17 | C16 | 109.7° | 109.4° |
| C17 | C19 | H22 | 109.5° | 109.4° |
| C17 | C19 | H23 | 109.5° | 109.5° |
| C17 | C19 | H24 | 109.5° | 109.5° |
| N6 | C27 | O9 | 110.4° | 120.0° |
| C27 | N6 | C28 | 121.9° | 120.0° |
| C27 | N6 | H62 | 119.1° | 120.0° |
| C27 | O9 | C26 | 118.8° | 117.0° |
| O1 | C9 | N3 | 122.6° | 119.9° |
| O1 | C9 | C8 | 121.5° | 120.0° |
| C10 | N3 | C9 | 122.9° | 120.0° |
| N3 | C10 | C11 | 111.3° | 109.5° |
| N3 | C10 | H9 | 109.0° | 109.4° |
| N3 | C10 | H10 | 109.0° | 109.4° |
| C10 | N3 | H14 | 118.6° | 120.0° |
| N3 | C9 | C8 | 115.9° | 120.1° |
| C9 | N3 | H14 | 118.6° | 120.0° |
| N6 | C28 | C29 | 112.8° | 109.5° |
| N6 | C28 | H36 | 108.6° | 109.5° |
| N6 | C28 | H37 | 108.7° | 109.5° |
| C28 | N6 | H62 | 119.1° | 120.0° |
| C29 | C28 | H36 | 108.6° | 109.5° |
| C29 | C28 | H37 | 108.6° | 109.5° |
| C28 | C29 | H38 | 109.3° | 109.5° |
| C28 | C29 | H39 | 109.2° | 109.5° |
| C10 | C11 | N4 | 111.1° | 109.5° |
| C10 | C11 | H5 | 109.1° | 109.4° |
| C10 | C11 | H6 | 109.1° | 109.5° |
| C11 | C10 | H9 | 109.0° | 109.5° |
| C11 | C10 | H10 | 109.0° | 109.5° |
| C9 | C8 | C7 | 115.8° | 109.5° |
| C9 | C8 | H7 | 107.9° | 109.4° |
| C9 | C8 | H8 | 107.9° | 109.5° |
| O9 | C26 | C39 | 107.4° | 109.5° |
| O9 | C26 | C25 | 107.2° | 109.5° |
| O9 | C26 | H35 | 109.7° | 109.4° |
| C20 | O5 | P1 | 115.7° | 123.0° |
| O5 | C20 | C17 | 111.3° | 109.5° |
| O5 | C20 | H26 | 109.0° | 109.5° |
| O5 | C20 | H27 | 109.0° | 109.5° |
| O5 | P1 | O6 | 103.9° | 109.5° |
| O5 | P1 | O7 | 106.0° | 109.5° |
| O5 | P1 | O17 | 105.3° | 109.4° |
| C14 | N5 | C15 | 124.6° | 120.0° |
| N5 | C14 | C13 | 113.2° | 109.5° |
| N5 | C14 | H1 | 108.5° | 109.5° |
| N5 | C14 | H2 | 108.5° | 109.4° |
| C14 | N5 | H61 | 117.7° | 120.0° |
| N5 | C15 | C16 | 117.6° | 120.0° |
| N5 | C15 | O3 | 122.8° | 120.0° |
| C15 | N5 | H61 | 117.7° | 120.0° |
| C14 | C13 | C12 | 112.7° | 109.4° |
| C13 | C14 | H1 | 108.5° | 109.5° |
| C13 | C14 | H2 | 108.5° | 109.5° |
| C14 | C13 | H11 | 108.6° | 109.5° |
| C14 | C13 | H12 | 108.6° | 109.5° |
| C20 | C17 | C18 | 109.4° | 109.5° |
| C20 | C17 | C16 | 110.2° | 109.5° |
| C17 | C20 | H26 | 109.0° | 109.5° |
| C17 | C20 | H27 | 109.0° | 109.5° |
| C18 | C17 | C16 | 109.3° | 109.5° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H21 | 109.4° | 109.4° |
| C17 | C16 | C15 | 113.6° | 109.5° |
| C17 | C16 | O4 | 108.4° | 109.4° |
| C17 | C16 | H18 | 107.9° | 109.5° |
| C11 | N4 | C12 | 123.8° | 120.0° |
| N4 | C11 | H5 | 109.0° | 109.5° |
| N4 | C11 | H6 | 109.1° | 109.5° |
| C11 | N4 | H60 | 118.1° | 120.0° |
| C16 | C15 | O3 | 119.6° | 120.0° |
| C15 | C16 | O4 | 109.3° | 109.5° |
| C15 | C16 | H18 | 108.1° | 109.5° |
| O6 | P1 | O7 | 114.1° | 109.5° |
| P1 | O6 | H69 | 109.5° | 114.0° |
| O6 | P1 | O17 | 121.2° | 109.5° |
| O7 | P1 | O17 | 105.1° | 109.5° |
| C8 | C7 | C21 | 121.3° | 119.9° |
| C8 | C7 | C6 | 120.6° | 119.9° |
| C7 | C8 | H7 | 107.8° | 109.5° |
| C7 | C8 | H8 | 107.8° | 109.5° |
| C39 | C26 | C25 | 114.7° | 109.5° |
| C26 | C39 | C40 | 114.8° | 111.1° |
| C39 | C26 | H35 | 108.9° | 109.5° |
| C26 | C39 | H53 | 108.1° | 109.2° |
| C26 | C39 | H54 | 108.1° | 109.2° |
| C26 | C25 | C24 | 115.2° | 108.1° |
| C26 | C25 | H33 | 108.0° | 109.8° |
| C26 | C25 | H34 | 108.0° | 109.7° |
| C25 | C26 | H35 | 108.9° | 109.5° |
| C25 | C24 | C23 | 109.8° | 108.9° |
| C25 | C24 | H31 | 109.4° | 109.6° |
| C25 | C24 | H32 | 109.4° | 109.6° |
| C24 | C25 | H33 | 108.0° | 109.8° |
| C24 | C25 | H34 | 108.0° | 109.8° |
| C24 | C23 | C3 | 124.4° | 120.1° |
| C24 | C23 | C42 | 118.8° | 119.1° |
| C23 | C24 | H31 | 109.4° | 109.6° |
| C23 | C24 | H32 | 109.4° | 109.6° |
| O4 | C16 | H18 | 109.5° | 109.4° |
| C16 | O4 | H68 | 109.5° | 114.0° |
| C21 | C7 | C6 | 118.1° | 120.2° |
| C7 | C21 | C22 | 121.1° | 120.2° |
| C7 | C21 | H28 | 119.5° | 119.9° |
| C7 | C6 | C5 | 121.3° | 120.2° |
| C7 | C6 | H4 | 119.4° | 119.9° |
| C39 | C40 | C41 | 114.3° | 110.5° |
| C40 | C39 | H53 | 108.1° | 109.1° |
| C40 | C39 | H54 | 108.1° | 109.1° |
| C39 | C40 | H55 | 108.3° | 109.2° |
| C39 | C40 | H56 | 108.3° | 109.3° |
| N4 | C12 | C13 | 117.0° | 120.0° |
| N4 | C12 | O2 | 121.9° | 120.0° |
| C12 | N4 | H60 | 118.1° | 120.0° |
| C21 | C22 | C4 | 120.6° | 119.8° |
| C22 | C21 | H28 | 119.4° | 119.9° |
| C21 | C22 | H29 | 119.7° | 120.1° |
| C13 | C12 | O2 | 121.1° | 120.0° |
| C12 | C13 | H11 | 108.6° | 109.5° |
| C12 | C13 | H12 | 108.6° | 109.4° |
| C6 | C5 | C4 | 120.4° | 119.9° |
| C6 | C5 | H3 | 119.8° | 120.2° |
| C5 | C6 | H4 | 119.3° | 119.9° |
| C22 | C4 | C5 | 118.5° | 119.7° |
| C22 | C4 | C3 | 120.2° | 120.1° |
| C4 | C22 | H29 | 119.7° | 120.1° |
| C5 | C4 | C3 | 121.2° | 120.2° |
| C4 | C5 | H3 | 119.8° | 120.0° |
| C4 | C3 | C23 | 123.4° | 120.2° |
| C4 | C3 | N2 | 117.4° | 120.2° |
| C3 | C23 | C42 | 116.8° | 120.7° |
| C23 | C3 | N2 | 119.1° | 119.6° |
| C23 | C42 | C41 | 112.4° | 106.2° |
| C23 | C42 | C2 | 110.2° | 112.5° |
| C23 | C42 | H59 | 107.8° | 109.3° |
| C3 | N2 | N1 | 124.1° | 120.1° |
| C3 | N2 | H71 | 117.9° | 119.9° |
| C40 | C41 | C42 | 113.9° | 108.2° |
| C41 | C40 | H55 | 108.3° | 109.3° |
| C41 | C40 | H56 | 108.2° | 109.3° |
| C40 | C41 | H57 | 108.3° | 109.7° |
| C40 | C41 | H58 | 108.4° | 109.7° |
| C41 | C42 | C2 | 110.6° | 110.1° |
| C42 | C41 | H57 | 108.3° | 109.8° |
| C42 | C41 | H58 | 108.3° | 109.7° |
| C41 | C42 | H59 | 107.6° | 109.3° |
| N2 | N1 | C2 | 116.1° | 121.4° |
| N1 | N2 | H71 | 117.9° | 119.9° |
| C42 | C2 | N1 | 125.1° | 121.4° |
| C42 | C2 | C1 | 116.4° | 119.3° |
| C2 | C42 | H59 | 108.0° | 109.2° |
| N1 | C2 | C1 | 118.5° | 119.3° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.4° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H22 | C19 | H24 | 109.5° | 109.4° |
| H23 | C19 | H24 | 109.4° | 109.5° |
| H26 | C20 | H27 | 109.4° | 109.4° |
| H31 | C24 | H32 | 109.5° | 109.6° |
| H33 | C25 | H34 | 109.5° | 109.7° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.4° |
| H40 | C31 | H41 | 109.4° | 109.5° |
| H42 | C32 | H43 | 109.5° | 109.4° |
| H45 | C36 | H46 | 109.4° | 109.5° |
| H45 | C36 | H47 | 109.5° | 109.5° |
| H46 | C36 | H47 | 109.5° | 109.5° |
| H48 | C37 | H49 | 109.5° | 109.5° |
| H48 | C37 | H50 | 109.5° | 109.5° |
| H49 | C37 | H50 | 109.5° | 109.4° |
| H51 | C38 | H52 | 109.4° | 109.5° |
| H53 | C39 | H54 | 109.5° | 109.1° |
| H55 | C40 | H56 | 109.4° | 109.2° |
| H57 | C41 | H58 | 109.5° | 109.7° |
| P2 | O8 | H13 | 109.5° | 114.0° |
| P1 | O17 | H25 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C35 | C34 | O13 | 39.3° | 178.4° |
| C37 | C35 | C38 | C36 | 118.0° | 120.0° |
| C37 | C35 | C38 | C34 | 119.6° | 120.0° |
| C37 | C35 | C36 | C34 | 117.7° | 120.0° |
| C37 | C35 | C38 | O14 | 164.1° | 60.0° |
| C37 | C35 | C34 | C33 | 88.2° | 58.4° |
| C37 | C35 | C34 | H44 | 154.5° | 61.6° |
| C37 | C35 | C36 | H45 | 180.0° | 175.3° |
| C37 | C35 | C36 | H46 | 60.0° | 55.3° |
| C37 | C35 | C36 | H47 | 60.0° | 64.7° |
| C35 | C37 | H48 | H49 | 120.0° | 120.0° |
| C35 | C37 | H48 | H50 | 120.0° | 120.0° |
| C35 | C37 | H49 | H50 | 120.0° | 120.0° |
| C37 | C35 | C38 | H51 | 44.1° | 60.0° |
| C37 | C35 | C38 | H52 | 75.9° | 179.9° |
| O12 | C33 | C34 | O13 | 59.6° | 12.7° |
| O12 | C33 | C34 | C35 | 68.3° | 107.3° |
| O12 | C33 | C34 | N8 | 176.8° | 180.0° |
| O12 | C33 | N8 | C32 | 136.7° | 5.1° |
| O12 | C33 | C34 | H44 | 174.5° | 132.6° |
| O12 | C33 | N8 | H64 | 43.3° | 174.9° |
| O13 | C34 | C35 | C38 | 158.8° | 58.4° |
| O13 | C34 | C35 | C36 | 78.0° | 61.6° |
| O13 | C34 | C35 | C33 | 127.5° | 120.0° |
| O13 | C34 | C35 | H44 | 115.2° | 119.9° |
| O13 | C34 | C33 | H44 | 114.9° | 120.0° |
| O13 | C34 | C33 | N8 | 117.3° | 167.4° |
| C38 | C35 | C36 | C34 | 124.1° | 120.0° |
| C35 | C38 | O14 | H51 | 120.0° | 120.0° |
| C35 | C38 | O14 | H52 | 120.0° | 120.0° |
| C38 | C35 | C34 | C33 | 31.3° | 61.6° |
| C35 | C38 | O14 | P2 | 156.2° | 180.0° |
| C38 | C35 | C34 | H44 | 86.0° | 178.3° |
| C38 | C35 | C36 | H45 | 61.7° | 64.7° |
| C38 | C35 | C36 | H46 | 58.2° | 175.3° |
| C38 | C35 | C36 | H47 | 178.2° | 55.3° |
| C38 | C35 | C37 | H48 | 180.0° | 67.6° |
| C38 | C35 | C37 | H49 | 60.0° | 172.4° |
| C38 | C35 | C37 | H50 | 60.0° | 52.5° |
| C35 | C38 | H51 | H52 | 120.0° | 120.1° |
| C36 | C35 | C38 | O14 | 77.9° | 60.0° |
| C36 | C35 | C34 | C33 | 154.5° | 178.4° |
| C36 | C35 | C34 | H44 | 37.2° | 58.3° |
| C35 | C36 | H45 | H46 | 120.0° | 120.0° |
| C35 | C36 | H45 | H47 | 120.0° | 120.0° |
| C35 | C36 | H46 | H47 | 120.0° | 120.0° |
| C36 | C35 | C37 | H48 | 60.2° | 52.4° |
| C36 | C35 | C37 | H49 | 59.8° | 67.6° |
| C36 | C35 | C37 | H50 | 179.8° | 172.4° |
| C36 | C35 | C38 | H51 | 162.1° | 179.9° |
| C36 | C35 | C38 | H52 | 42.1° | 60.0° |
| C34 | C35 | C38 | O14 | 44.4° | 180.0° |
| C35 | C34 | C33 | H44 | 117.2° | 120.0° |
| C35 | C34 | C33 | N8 | 114.8° | 72.6° |
| C34 | C35 | C36 | H45 | 62.4° | 55.3° |
| C34 | C35 | C36 | H46 | 177.7° | 64.7° |
| C34 | C35 | C36 | H47 | 57.7° | 175.3° |
| C34 | C35 | C37 | H48 | 58.0° | 172.4° |
| C34 | C35 | C37 | H49 | 177.9° | 52.4° |
| C34 | C35 | C37 | H50 | 62.1° | 67.6° |
| C34 | C35 | C38 | H51 | 75.6° | 60.1° |
| C34 | C35 | C38 | H52 | 164.4° | 60.0° |
| C35 | C34 | O13 | H65 | 134.9° | 60.0° |
| C38 | O14 | P2 | O15 | 64.1° | 65.0° |
| C38 | O14 | P2 | O16 | 173.1° | 55.0° |
| O14 | C38 | H51 | H52 | 120.0° | 120.0° |
| C38 | O14 | P2 | O8 | 52.2° | 175.0° |
| C34 | C33 | N8 | C32 | 40.0° | 174.9° |
| C34 | C33 | N8 | H64 | 140.0° | 5.1° |
| C33 | C34 | O13 | H65 | 93.7° | 60.0° |
| C33 | N8 | C32 | H64 | 180.0° | 180.0° |
| C33 | N8 | C32 | C31 | 43.5° | 180.0° |
| C33 | N8 | C32 | H42 | 164.1° | 60.0° |
| C33 | N8 | C32 | H43 | 77.1° | 60.0° |
| N8 | C33 | C34 | H44 | 2.4° | 47.4° |
| O15 | P2 | O14 | O16 | 122.8° | 120.0° |
| O15 | P2 | O14 | O8 | 116.3° | 120.0° |
| O15 | P2 | O16 | O8 | 115.8° | 119.9° |
| O15 | P2 | O8 | H13 | 121.0° | 60.0° |
| O11 | C30 | C31 | N7 | 176.0° | 180.0° |
| O11 | C30 | C31 | C32 | 124.4° | 0.0° |
| O11 | C30 | N7 | C29 | 134.2° | 0.0° |
| O11 | C30 | C31 | H40 | 114.8° | 120.0° |
| O11 | C30 | C31 | H41 | 3.6° | 120.0° |
| O11 | C30 | N7 | H63 | 45.8° | 180.0° |
| O14 | P2 | O16 | O8 | 124.6° | 120.1° |
| P2 | O14 | C38 | H51 | 36.2° | 60.0° |
| P2 | O14 | C38 | H52 | 83.8° | 60.0° |
| O14 | P2 | O15 | H66 | 120.0° | 60.0° |
| O14 | P2 | O8 | H13 | 121.1° | 179.9° |
| N8 | C32 | C31 | C30 | 119.2° | 180.0° |
| N8 | C32 | C31 | H42 | 120.6° | 120.1° |
| N8 | C32 | C31 | H43 | 120.6° | 119.9° |
| N8 | C32 | C31 | H40 | 120.0° | 60.0° |
| N8 | C32 | C31 | H41 | 1.5° | 60.0° |
| N8 | C32 | H42 | H43 | 118.2° | 119.9° |
| O16 | P2 | O15 | H66 | 0.0° | 180.0° |
| O16 | P2 | O8 | H13 | 0.0° | 59.9° |
| C30 | C31 | C32 | H40 | 120.8° | 120.0° |
| C30 | C31 | C32 | H41 | 120.7° | 120.0° |
| C31 | C30 | N7 | C29 | 49.9° | 180.0° |
| C30 | C31 | H40 | H41 | 117.6° | 120.0° |
| C30 | C31 | C32 | H42 | 120.2° | 60.0° |
| C30 | C31 | C32 | H43 | 1.4° | 60.0° |
| C31 | C30 | N7 | H63 | 130.1° | 0.0° |
| C32 | C31 | C30 | N7 | 51.6° | 180.0° |
| C32 | C31 | H40 | H41 | 117.6° | 120.0° |
| C31 | C32 | H42 | H43 | 118.1° | 120.0° |
| C31 | C32 | N8 | H64 | 136.6° | 0.0° |
| C30 | N7 | C29 | H63 | 180.0° | 180.0° |
| C30 | N7 | C29 | C28 | 59.6° | 180.0° |
| C30 | N7 | C29 | H38 | 60.5° | 60.0° |
| C30 | N7 | C29 | H39 | 179.7° | 60.0° |
| N7 | C30 | C31 | H40 | 69.2° | 60.0° |
| N7 | C30 | C31 | H41 | 172.4° | 60.0° |
| O10 | C27 | N6 | O9 | 177.9° | 179.9° |
| O10 | C27 | N6 | C28 | 119.7° | 0.1° |
| O10 | C27 | O9 | C26 | 125.7° | 0.0° |
| O10 | C27 | N6 | H62 | 60.3° | 180.0° |
| N7 | C29 | C28 | N6 | 68.3° | 180.0° |
| N7 | C29 | C28 | H38 | 120.1° | 120.1° |
| N7 | C29 | C28 | H39 | 120.1° | 119.9° |
| N7 | C29 | C28 | H36 | 171.2° | 60.0° |
| N7 | C29 | C28 | H37 | 52.3° | 60.0° |
| N7 | C29 | H38 | H39 | 119.7° | 119.9° |
| C19 | C17 | C20 | O5 | 74.9° | 60.0° |
| C19 | C17 | C20 | C18 | 119.1° | 120.0° |
| C19 | C17 | C20 | C16 | 120.7° | 120.0° |
| C19 | C17 | C18 | C16 | 119.8° | 119.9° |
| C19 | C17 | C16 | C15 | 53.9° | 65.9° |
| C19 | C17 | C16 | O4 | 175.6° | 174.1° |
| C19 | C17 | C16 | H18 | 65.9° | 54.1° |
| C19 | C17 | C18 | H19 | 180.0° | 175.4° |
| C19 | C17 | C18 | H20 | 60.0° | 55.4° |
| C19 | C17 | C18 | H21 | 60.0° | 64.6° |
| C17 | C19 | H22 | H23 | 120.0° | 120.0° |
| C17 | C19 | H22 | H24 | 120.0° | 119.9° |
| C17 | C19 | H23 | H24 | 120.0° | 120.0° |
| C19 | C17 | C20 | H26 | 164.8° | 60.0° |
| C19 | C17 | C20 | H27 | 45.4° | 180.0° |
| C27 | N6 | C28 | H62 | 180.0° | 179.9° |
| C27 | N6 | C28 | C29 | 159.7° | 180.0° |
| N6 | C27 | O9 | C26 | 56.5° | 180.0° |
| C27 | N6 | C28 | H36 | 79.8° | 60.0° |
| C27 | N6 | C28 | H37 | 39.2° | 60.0° |
| O9 | C27 | N6 | C28 | 58.2° | 180.0° |
| C27 | O9 | C26 | C39 | 53.8° | 150.0° |
| C27 | O9 | C26 | C25 | 177.5° | 90.0° |
| C27 | O9 | C26 | H35 | 64.4° | 30.0° |
| O9 | C27 | N6 | H62 | 121.8° | 0.1° |
| O1 | C9 | N3 | C10 | 87.6° | 0.0° |
| O1 | C9 | N3 | C8 | 178.8° | 180.0° |
| O1 | C9 | C8 | C7 | 5.0° | 0.0° |
| O1 | C9 | C8 | H7 | 115.9° | 120.0° |
| O1 | C9 | C8 | H8 | 125.9° | 120.0° |
| O1 | C9 | N3 | H14 | 92.4° | 180.0° |
| C10 | N3 | C9 | H14 | 180.0° | 179.9° |
| N3 | C10 | C11 | H9 | 120.3° | 120.0° |
| N3 | C10 | C11 | H10 | 120.3° | 120.0° |
| C10 | N3 | C9 | C8 | 93.7° | 180.0° |
| N3 | C10 | C11 | N4 | 91.1° | 180.0° |
| N3 | C10 | C11 | H5 | 148.7° | 60.0° |
| N3 | C10 | C11 | H6 | 29.2° | 60.0° |
| N3 | C10 | H9 | H10 | 119.1° | 119.9° |
| C9 | N3 | C10 | C11 | 64.9° | 180.0° |
| N3 | C9 | C8 | C7 | 173.8° | 180.0° |
| N3 | C9 | C8 | H7 | 65.3° | 60.0° |
| N3 | C9 | C8 | H8 | 52.8° | 59.9° |
| C9 | N3 | C10 | H9 | 55.4° | 60.0° |
| C9 | N3 | C10 | H10 | 174.9° | 60.0° |
| N6 | C28 | C29 | H36 | 120.5° | 120.0° |
| N6 | C28 | C29 | H37 | 120.5° | 120.0° |
| N6 | C28 | H36 | H37 | 118.5° | 120.0° |
| N6 | C28 | C29 | H38 | 171.6° | 59.9° |
| N6 | C28 | C29 | H39 | 51.9° | 60.1° |
| C29 | C28 | H36 | H37 | 118.4° | 120.0° |
| C28 | C29 | H38 | H39 | 119.6° | 120.0° |
| C29 | C28 | N6 | H62 | 20.3° | 0.1° |
| C28 | C29 | N7 | H63 | 120.4° | 0.0° |
| C10 | C11 | N4 | H5 | 120.3° | 120.0° |
| C10 | C11 | N4 | H6 | 120.3° | 120.0° |
| C10 | C11 | N4 | C12 | 124.2° | 180.0° |
| C10 | C11 | H5 | H6 | 119.3° | 120.0° |
| C11 | C10 | H9 | H10 | 119.2° | 120.1° |
| C11 | C10 | N3 | H14 | 115.1° | 0.0° |
| C10 | C11 | N4 | H60 | 55.8° | 0.0° |
| C9 | C8 | C7 | H7 | 120.9° | 119.9° |
| C9 | C8 | C7 | H8 | 120.9° | 120.0° |
| C9 | C8 | C7 | C21 | 56.2° | 90.0° |
| C9 | C8 | C7 | C6 | 124.9° | 90.2° |
| C9 | C8 | H7 | H8 | 117.1° | 120.0° |
| C8 | C9 | N3 | H14 | 86.3° | 0.1° |
| O9 | C26 | C39 | C25 | 119.0° | 120.0° |
| O9 | C26 | C39 | H35 | 118.8° | 120.0° |
| O9 | C26 | C25 | H35 | 118.6° | 120.0° |
| O9 | C26 | C25 | C24 | 69.8° | 162.6° |
| O9 | C26 | C39 | C40 | 164.1° | 125.9° |
| O9 | C26 | C25 | H33 | 51.1° | 42.9° |
| O9 | C26 | C25 | H34 | 169.4° | 77.8° |
| O9 | C26 | C39 | H53 | 75.1° | 5.5° |
| O9 | C26 | C39 | H54 | 43.3° | 113.7° |
| O5 | C20 | C17 | H26 | 120.3° | 120.0° |
| O5 | C20 | C17 | H27 | 120.3° | 120.0° |
| O5 | C20 | C17 | C18 | 44.2° | 60.0° |
| O5 | C20 | C17 | C16 | 164.4° | 180.0° |
| C20 | O5 | P1 | O6 | 50.4° | 65.0° |
| C20 | O5 | P1 | O7 | 70.1° | 55.0° |
| O5 | C20 | H26 | H27 | 119.1° | 120.0° |
| C20 | O5 | P1 | O17 | 178.7° | 175.0° |
| P1 | O5 | C20 | C17 | 121.4° | 180.0° |
| O5 | P1 | O6 | O7 | 115.0° | 120.0° |
| O5 | P1 | O6 | O17 | 117.8° | 120.0° |
| O5 | P1 | O7 | O17 | 111.2° | 120.0° |
| P1 | O5 | C20 | H26 | 1.1° | 60.0° |
| P1 | O5 | C20 | H27 | 118.3° | 60.0° |
| O5 | P1 | O6 | H69 | 114.9° | 60.0° |
| O5 | P1 | O17 | H25 | 111.7° | 180.0° |
| C14 | N5 | C15 | H61 | 180.0° | 179.9° |
| N5 | C14 | C13 | H1 | 120.5° | 120.0° |
| N5 | C14 | C13 | H2 | 120.5° | 119.9° |
| C14 | N5 | C15 | C16 | 48.2° | 174.9° |
| C14 | N5 | C15 | O3 | 134.7° | 5.1° |
| N5 | C14 | C13 | C12 | 42.9° | 180.0° |
| N5 | C14 | H1 | H2 | 118.3° | 119.9° |
| N5 | C14 | C13 | H11 | 163.4° | 60.0° |
| N5 | C14 | C13 | H12 | 77.6° | 60.0° |
| C15 | N5 | C14 | C13 | 46.4° | 180.0° |
| N5 | C15 | C16 | C17 | 90.1° | 71.4° |
| N5 | C15 | C16 | O3 | 177.2° | 180.0° |
| N5 | C15 | C16 | O4 | 148.7° | 168.6° |
| C15 | N5 | C14 | H1 | 166.9° | 59.9° |
| C15 | N5 | C14 | H2 | 74.2° | 60.0° |
| N5 | C15 | C16 | H18 | 29.7° | 48.6° |
| C14 | C13 | C12 | N4 | 53.5° | 180.0° |
| C14 | C13 | C12 | H11 | 120.5° | 120.0° |
| C14 | C13 | C12 | H12 | 120.5° | 119.9° |
| C14 | C13 | C12 | O2 | 126.6° | 0.0° |
| C13 | C14 | H1 | H2 | 118.3° | 120.1° |
| C14 | C13 | H11 | H12 | 118.5° | 120.0° |
| C13 | C14 | N5 | H61 | 133.6° | 0.1° |
| C20 | C17 | C18 | C16 | 120.8° | 120.0° |
| C20 | C17 | C16 | C15 | 66.6° | 54.1° |
| C20 | C17 | C16 | O4 | 55.1° | 65.9° |
| C20 | C17 | C16 | H18 | 173.6° | 174.1° |
| C20 | C17 | C18 | H19 | 60.5° | 64.5° |
| C20 | C17 | C18 | H20 | 179.5° | 175.4° |
| C20 | C17 | C18 | H21 | 59.5° | 55.5° |
| C20 | C17 | C19 | H22 | 180.0° | 67.4° |
| C20 | C17 | C19 | H23 | 60.0° | 172.6° |
| C20 | C17 | C19 | H24 | 60.0° | 52.5° |
| C17 | C20 | H26 | H27 | 119.2° | 120.0° |
| C18 | C17 | C16 | C15 | 173.1° | 174.1° |
| C18 | C17 | C16 | O4 | 65.2° | 54.1° |
| C18 | C17 | C16 | H18 | 53.3° | 65.9° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H21 | 120.0° | 119.9° |
| C17 | C18 | H20 | H21 | 120.0° | 119.9° |
| C18 | C17 | C19 | H22 | 60.5° | 52.6° |
| C18 | C17 | C19 | H23 | 179.5° | 67.4° |
| C18 | C17 | C19 | H24 | 59.5° | 172.6° |
| C18 | C17 | C20 | H26 | 76.1° | 180.0° |
| C18 | C17 | C20 | H27 | 164.5° | 60.0° |
| C17 | C16 | C15 | O4 | 121.2° | 120.0° |
| C17 | C16 | C15 | H18 | 119.7° | 120.1° |
| C17 | C16 | C15 | O3 | 87.2° | 108.6° |
| C17 | C16 | O4 | H18 | 117.5° | 120.0° |
| C16 | C17 | C18 | H19 | 60.3° | 55.5° |
| C16 | C17 | C18 | H20 | 59.8° | 64.5° |
| C16 | C17 | C18 | H21 | 179.8° | 175.5° |
| C16 | C17 | C19 | H22 | 59.0° | 172.6° |
| C16 | C17 | C19 | H23 | 61.0° | 52.6° |
| C16 | C17 | C19 | H24 | 179.1° | 67.5° |
| C16 | C17 | C20 | H26 | 44.1° | 60.0° |
| C16 | C17 | C20 | H27 | 75.3° | 60.0° |
| C17 | C16 | O4 | H68 | 109.7° | 60.0° |
| C11 | N4 | C12 | H60 | 180.0° | 179.9° |
| C11 | N4 | C12 | C13 | 107.8° | 180.0° |
| C11 | N4 | C12 | O2 | 72.3° | 0.0° |
| N4 | C11 | H5 | H6 | 119.2° | 120.0° |
| N4 | C11 | C10 | H9 | 29.2° | 60.0° |
| N4 | C11 | C10 | H10 | 148.6° | 60.0° |
| C15 | C16 | O4 | H18 | 118.2° | 120.0° |
| C16 | C15 | N5 | H61 | 131.9° | 5.0° |
| C15 | C16 | O4 | H68 | 14.6° | 60.0° |
| O3 | C15 | C16 | O4 | 34.0° | 11.4° |
| O3 | C15 | C16 | H18 | 153.1° | 131.3° |
| O3 | C15 | N5 | H61 | 45.3° | 175.0° |
| O6 | P1 | O7 | O17 | 135.1° | 120.0° |
| O6 | P1 | O17 | H25 | 131.2° | 60.0° |
| O7 | P1 | O6 | H69 | 0.0° | 180.0° |
| O7 | P1 | O17 | H25 | 0.0° | 60.0° |
| C8 | C7 | C21 | C6 | 179.0° | 179.7° |
| C8 | C7 | C21 | C22 | 179.8° | 180.0° |
| C8 | C7 | C6 | C5 | 179.5° | 179.8° |
| C8 | C7 | C6 | H4 | 0.5° | 0.3° |
| C7 | C8 | H7 | H8 | 117.1° | 120.1° |
| C8 | C7 | C21 | H28 | 0.2° | 0.3° |
| C39 | C26 | C25 | H35 | 122.2° | 120.0° |
| C39 | C26 | C25 | C24 | 49.3° | 77.4° |
| C26 | C39 | C40 | H53 | 120.8° | 120.4° |
| C26 | C39 | C40 | H54 | 120.8° | 120.4° |
| C26 | C39 | C40 | C41 | 94.2° | 44.5° |
| C39 | C26 | C25 | H33 | 170.2° | 162.9° |
| C39 | C26 | C25 | H34 | 71.5° | 42.3° |
| C26 | C39 | H53 | H54 | 117.5° | 119.2° |
| C26 | C39 | C40 | H55 | 26.6° | 75.8° |
| C26 | C39 | C40 | H56 | 145.1° | 164.8° |
| C26 | C25 | C24 | H33 | 120.8° | 119.7° |
| C26 | C25 | C24 | H34 | 120.8° | 119.6° |
| C26 | C25 | C24 | C23 | 122.5° | 72.7° |
| C25 | C26 | C39 | C40 | 45.1° | 114.1° |
| C26 | C25 | C24 | H31 | 2.5° | 47.1° |
| C26 | C25 | C24 | H32 | 117.4° | 167.5° |
| C26 | C25 | H33 | H34 | 117.4° | 120.6° |
| C25 | C26 | C39 | H53 | 165.8° | 125.6° |
| C25 | C26 | C39 | H54 | 75.7° | 6.3° |
| C25 | C24 | C23 | H31 | 120.1° | 119.8° |
| C25 | C24 | C23 | H32 | 120.0° | 119.9° |
| C25 | C24 | C23 | C3 | 123.4° | 66.3° |
| C25 | C24 | C23 | C42 | 56.5° | 113.3° |
| C25 | C24 | H31 | H32 | 119.8° | 120.3° |
| C24 | C25 | H33 | H34 | 117.4° | 120.7° |
| C24 | C25 | C26 | H35 | 171.6° | 42.6° |
| C24 | C23 | C3 | C4 | 35.0° | 0.9° |
| C24 | C23 | C3 | C42 | 179.9° | 179.5° |
| C24 | C23 | C3 | N2 | 148.2° | 179.1° |
| C24 | C23 | C42 | C41 | 37.1° | 43.1° |
| C24 | C23 | C42 | C2 | 160.9° | 163.6° |
| C23 | C24 | H31 | H32 | 119.8° | 120.3° |
| C23 | C24 | C25 | H33 | 116.6° | 167.6° |
| C23 | C24 | C25 | H34 | 1.7° | 47.0° |
| C24 | C23 | C42 | H59 | 81.4° | 74.8° |
| C7 | C21 | C22 | H28 | 180.0° | 179.7° |
| C21 | C7 | C6 | C5 | 0.5° | 0.0° |
| C7 | C21 | C22 | C4 | 0.3° | 0.5° |
| C21 | C7 | C6 | H4 | 179.5° | 180.0° |
| C21 | C7 | C8 | H7 | 64.8° | 150.0° |
| C21 | C7 | C8 | H8 | 177.1° | 30.0° |
| C7 | C21 | C22 | H29 | 179.6° | 179.9° |
| C6 | C7 | C21 | C22 | 0.8° | 0.2° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.1° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| C6 | C7 | C8 | H7 | 114.2° | 29.7° |
| C6 | C7 | C8 | H8 | 3.9° | 149.7° |
| C6 | C7 | C21 | H28 | 179.2° | 180.0° |
| C39 | C40 | C41 | H55 | 120.7° | 120.3° |
| C39 | C40 | C41 | H56 | 120.7° | 120.3° |
| C39 | C40 | C41 | C42 | 101.1° | 74.8° |
| C40 | C39 | C26 | H35 | 77.1° | 5.9° |
| C40 | C39 | H53 | H54 | 117.6° | 119.2° |
| C39 | C40 | H55 | H56 | 117.8° | 119.5° |
| C39 | C40 | C41 | H57 | 138.3° | 44.9° |
| C39 | C40 | C41 | H58 | 19.6° | 165.5° |
| N4 | C12 | C13 | O2 | 179.9° | 180.0° |
| C12 | N4 | C11 | H5 | 3.9° | 60.1° |
| C12 | N4 | C11 | H6 | 115.5° | 60.0° |
| N4 | C12 | C13 | H11 | 67.0° | 60.0° |
| N4 | C12 | C13 | H12 | 173.9° | 60.1° |
| C21 | C22 | C4 | H29 | 180.0° | 179.5° |
| C21 | C22 | C4 | C5 | 0.4° | 0.5° |
| C21 | C22 | C4 | C3 | 179.5° | 179.8° |
| C12 | C13 | C14 | H1 | 77.7° | 60.0° |
| C12 | C13 | C14 | H2 | 163.4° | 60.0° |
| C12 | C13 | H11 | H12 | 118.5° | 120.0° |
| C13 | C12 | N4 | H60 | 72.2° | 0.1° |
| C6 | C5 | C4 | C22 | 0.7° | 0.3° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.8° | 180.0° |
| C22 | C4 | C5 | C3 | 179.1° | 179.7° |
| C22 | C4 | C3 | C23 | 148.8° | 54.6° |
| C22 | C4 | C3 | N2 | 34.4° | 125.4° |
| C22 | C4 | C5 | H3 | 179.3° | 179.8° |
| C4 | C22 | C21 | H28 | 179.7° | 179.8° |
| C5 | C4 | C3 | C23 | 32.2° | 125.7° |
| C5 | C4 | C3 | N2 | 144.6° | 54.3° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C5 | C4 | C22 | H29 | 179.6° | 180.0° |
| O2 | C12 | C13 | H11 | 112.9° | 120.0° |
| O2 | C12 | C13 | H12 | 6.2° | 120.0° |
| O2 | C12 | N4 | H60 | 107.7° | 180.0° |
| C4 | C3 | C23 | N2 | 176.8° | 180.0° |
| C4 | C3 | C23 | C42 | 144.9° | 179.6° |
| C4 | C3 | N2 | N1 | 157.6° | 163.0° |
| C3 | C4 | C5 | H3 | 0.2° | 0.0° |
| C3 | C4 | C22 | H29 | 0.5° | 0.3° |
| C4 | C3 | N2 | H71 | 22.4° | 17.1° |
| C3 | C23 | C42 | C41 | 143.0° | 136.5° |
| C23 | C3 | N2 | N1 | 19.3° | 17.0° |
| C3 | C23 | C42 | C2 | 19.2° | 15.9° |
| C3 | C23 | C24 | H31 | 116.5° | 173.9° |
| C3 | C23 | C24 | H32 | 3.4° | 53.6° |
| C3 | C23 | C42 | H59 | 98.6° | 105.7° |
| C23 | C3 | N2 | H71 | 160.6° | 162.9° |
| C42 | C23 | C3 | N2 | 31.8° | 0.4° |
| C23 | C42 | C41 | C40 | 93.2° | 77.5° |
| C23 | C42 | C41 | C2 | 123.7° | 122.1° |
| C23 | C42 | C41 | H59 | 118.6° | 117.9° |
| C23 | C42 | C2 | H59 | 117.6° | 121.6° |
| C23 | C42 | C2 | N1 | 7.1° | 15.9° |
| C23 | C42 | C2 | C1 | 171.8° | 164.0° |
| C42 | C23 | C24 | H31 | 63.5° | 6.6° |
| C42 | C23 | C24 | H32 | 176.6° | 126.9° |
| C23 | C42 | C41 | H57 | 146.2° | 42.2° |
| C23 | C42 | C41 | H58 | 27.5° | 162.8° |
| C3 | N2 | N1 | H71 | 180.0° | 179.9° |
| C3 | N2 | N1 | C2 | 7.6° | 17.4° |
| C40 | C41 | C42 | H57 | 120.6° | 119.7° |
| C40 | C41 | C42 | H58 | 120.7° | 119.7° |
| C40 | C41 | C42 | C2 | 143.2° | 44.6° |
| C41 | C40 | C39 | H53 | 145.1° | 164.9° |
| C41 | C40 | C39 | H54 | 26.6° | 75.9° |
| C41 | C40 | H55 | H56 | 117.8° | 119.5° |
| C40 | C41 | H57 | H58 | 118.0° | 120.6° |
| C40 | C41 | C42 | H59 | 25.4° | 164.6° |
| C41 | C42 | C2 | H59 | 117.5° | 120.1° |
| C41 | C42 | C2 | N1 | 117.8° | 134.2° |
| C41 | C42 | C2 | C1 | 63.3° | 45.7° |
| C42 | C41 | C40 | H55 | 19.6° | 164.9° |
| C42 | C41 | C40 | H56 | 138.2° | 45.5° |
| C42 | C41 | H57 | H58 | 117.9° | 120.7° |
| N2 | N1 | C2 | C42 | 20.1° | 0.2° |
| N2 | N1 | C2 | C1 | 158.8° | 179.8° |
| C42 | C2 | N1 | C1 | 178.9° | 180.0° |
| C42 | C2 | C1 | H15 | 179.0° | 180.0° |
| C42 | C2 | C1 | H16 | 59.0° | 60.0° |
| C42 | C2 | C1 | H17 | 61.0° | 60.0° |
| C2 | C42 | C41 | H57 | 22.5° | 164.2° |
| C2 | C42 | C41 | H58 | 96.2° | 75.1° |
| N1 | C2 | C1 | H15 | 0.0° | 0.1° |
| N1 | C2 | C1 | H16 | 120.0° | 120.0° |
| N1 | C2 | C1 | H17 | 120.0° | 120.0° |
| N1 | C2 | C42 | H59 | 124.7° | 105.7° |
| C2 | N1 | N2 | H71 | 172.5° | 162.5° |
| C2 | C1 | H15 | H16 | 120.0° | 119.9° |
| C2 | C1 | H15 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | C42 | H59 | 54.2° | 74.4° |
| H1 | C14 | C13 | H11 | 42.8° | 60.0° |
| H1 | C14 | C13 | H12 | 161.9° | 180.0° |
| H1 | C14 | N5 | H61 | 13.1° | 120.0° |
| H2 | C14 | C13 | H11 | 76.1° | 180.0° |
| H2 | C14 | C13 | H12 | 43.0° | 59.9° |
| H2 | C14 | N5 | H61 | 105.8° | 120.1° |
| H3 | C5 | C6 | H4 | 0.2° | 0.0° |
| H5 | C11 | C10 | H9 | 91.0° | 60.0° |
| H5 | C11 | C10 | H10 | 28.4° | 180.0° |
| H5 | C11 | N4 | H60 | 176.1° | 120.0° |
| H6 | C11 | C10 | H9 | 149.5° | 180.0° |
| H6 | C11 | C10 | H10 | 91.1° | 60.0° |
| H6 | C11 | N4 | H60 | 64.5° | 120.0° |
| H9 | C10 | N3 | H14 | 124.6° | 120.0° |
| H10 | C10 | N3 | H14 | 5.2° | 120.1° |
| H15 | C1 | H16 | H17 | 120.0° | 120.1° |
| H18 | C16 | O4 | H68 | 132.8° | 180.0° |
| H19 | C18 | H20 | H21 | 120.0° | 120.0° |
| H22 | C19 | H23 | H24 | 120.0° | 120.0° |
| H28 | C21 | C22 | H29 | 0.4° | 0.3° |
| H31 | C24 | C25 | H33 | 123.3° | 72.6° |
| H31 | C24 | C25 | H34 | 118.4° | 166.8° |
| H32 | C24 | C25 | H33 | 3.4° | 47.8° |
| H32 | C24 | C25 | H34 | 121.8° | 72.9° |
| H33 | C25 | C26 | H35 | 67.6° | 77.1° |
| H34 | C25 | C26 | H35 | 50.7° | 162.3° |
| H35 | C26 | C39 | H53 | 43.6° | 114.4° |
| H35 | C26 | C39 | H54 | 162.1° | 126.4° |
| H36 | C28 | C29 | H38 | 51.1° | 60.0° |
| H36 | C28 | C29 | H39 | 68.7° | 179.9° |
| H36 | C28 | N6 | H62 | 100.2° | 120.1° |
| H37 | C28 | C29 | H38 | 67.9° | 180.0° |
| H37 | C28 | C29 | H39 | 172.4° | 60.0° |
| H37 | C28 | N6 | H62 | 140.8° | 119.9° |
| H38 | C29 | N7 | H63 | 119.5° | 120.0° |
| H39 | C29 | N7 | H63 | 0.3° | 120.0° |
| H40 | C31 | C32 | H42 | 0.6° | 180.0° |
| H40 | C31 | C32 | H43 | 119.4° | 60.0° |
| H41 | C31 | C32 | H42 | 119.1° | 60.0° |
| H41 | C31 | C32 | H43 | 122.1° | 179.9° |
| H42 | C32 | N8 | H64 | 16.0° | 120.0° |
| H43 | C32 | N8 | H64 | 102.9° | 120.0° |
| H44 | C34 | O13 | H65 | 20.4° | 179.9° |
| H45 | C36 | H46 | H47 | 120.0° | 120.0° |
| H48 | C37 | H49 | H50 | 120.0° | 120.0° |
| H53 | C39 | C40 | H55 | 94.2° | 44.6° |
| H53 | C39 | C40 | H56 | 24.3° | 74.7° |
| H54 | C39 | C40 | H55 | 147.3° | 163.8° |
| H54 | C39 | C40 | H56 | 94.1° | 44.4° |
| H55 | C40 | C41 | H57 | 101.0° | 75.4° |
| H55 | C40 | C41 | H58 | 140.3° | 45.2° |
| H56 | C40 | C41 | H57 | 17.6° | 165.2° |
| H56 | C40 | C41 | H58 | 101.2° | 74.2° |
| H57 | C41 | C42 | H59 | 95.3° | 75.7° |
| H58 | C41 | C42 | H59 | 146.1° | 44.9° |
| H66 | O15 | P2 | O8 | 117.7° | 60.1° |
| H69 | O6 | P1 | O17 | 127.2° | 60.0° |
