A1JAI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C7 | doub | 1.30Å | 1.32Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | C2 | sing | 1.37Å | 1.34Å | |
| C7 | N4 | sing | 1.37Å | 1.34Å | |
| C7 | N6 | sing | 1.37Å | 1.33Å | |
| C6 | N4 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C2 | N2 | doub | 1.30Å | 1.36Å | |
| C2 | N1 | sing | 1.37Å | 1.35Å | |
| N6 | C8 | sing | 1.47Å | 1.41Å | |
| N1 | C1 | sing | 1.46Å | 1.46Å | |
| C8 | C35 | sing | 1.53Å | 1.52Å | |
| C8 | O1 | sing | 1.43Å | 1.42Å | |
| C35 | O21 | sing | 1.43Å | 1.42Å | |
| C35 | C13 | sing | 1.53Å | 1.52Å | |
| N7 | C12 | sing | 1.35Å | 1.33Å | |
| O1 | C9 | sing | 1.43Å | 1.46Å | |
| O3 | C12 | sing | 1.35Å | 1.34Å | |
| O3 | C11 | sing | 1.45Å | 1.45Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| O2 | C10 | sing | 1.43Å | 1.43Å | |
| C12 | O4 | doub | 1.22Å | 1.20Å | |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C13 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C14 | sing | 1.43Å | 1.38Å | |
| O18 | C32 | sing | 1.43Å | 1.42Å | |
| O20 | C34 | sing | 1.43Å | 1.43Å | |
| O17 | C31 | sing | 1.43Å | 1.42Å | |
| C34 | C14 | sing | 1.53Å | 1.52Å | |
| C34 | C20 | sing | 1.53Å | 1.52Å | |
| C14 | O6 | sing | 1.43Å | 1.42Å | |
| O19 | C33 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C29 | sing | 1.53Å | 1.51Å | |
| O6 | C15 | sing | 1.43Å | 1.43Å | |
| C32 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | O13 | sing | 1.43Å | 1.39Å | |
| C26 | O14 | sing | 1.43Å | 1.43Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C29 | O16 | sing | 1.43Å | 1.42Å | |
| C20 | O9 | sing | 1.43Å | 1.43Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| C33 | C21 | sing | 1.53Å | 1.53Å | |
| C33 | C25 | sing | 1.53Å | 1.53Å | |
| O9 | C21 | sing | 1.43Å | 1.39Å | |
| O13 | C25 | sing | 1.43Å | 1.43Å | |
| O7 | C16 | sing | 1.43Å | 1.43Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C21 | O10 | sing | 1.43Å | 1.43Å | |
| C27 | O14 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C17 | N8 | sing | 1.47Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| O16 | C30 | sing | 1.43Å | 1.42Å | |
| C28 | O15 | sing | 1.43Å | 1.42Å | |
| O8 | C18 | doub | 1.21Å | 1.23Å | |
| O10 | C22 | sing | 1.43Å | 1.44Å | |
| N8 | C18 | sing | 1.35Å | 1.32Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | O12 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C23 | O11 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| O7 | H31 | sing | 0.97Å | 0.95Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| O11 | H42 | sing | 0.97Å | 0.95Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| O12 | H44 | sing | 0.97Å | 0.95Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| O15 | H50 | sing | 0.97Å | 0.95Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H55 | sing | 1.09Å | 1.10Å | |
| O17 | H56 | sing | 0.97Å | 0.95Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| O18 | H58 | sing | 0.97Å | 0.95Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| O19 | H60 | sing | 0.97Å | 0.95Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| O20 | H62 | sing | 0.97Å | 0.95Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| O21 | H64 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C7 | N4 | 121.2° | 120.0° |
| N5 | C7 | N6 | 116.3° | 120.0° |
| C7 | N5 | H16 | 112.0° | 120.0° |
| C3 | C4 | C5 | 114.5° | 109.5° |
| C4 | C3 | N3 | 113.7° | 109.5° |
| C4 | C3 | H7 | 108.4° | 109.4° |
| C4 | C3 | H8 | 108.4° | 109.5° |
| C3 | C4 | H9 | 108.2° | 109.4° |
| C3 | C4 | H10 | 108.2° | 109.5° |
| C4 | C5 | C6 | 116.2° | 109.5° |
| C5 | C4 | H9 | 108.2° | 109.5° |
| C5 | C4 | H10 | 108.2° | 109.5° |
| C4 | C5 | H11 | 107.8° | 109.5° |
| C4 | C5 | H12 | 107.8° | 109.5° |
| C3 | N3 | C2 | 126.5° | 120.0° |
| C3 | N3 | H6 | 116.8° | 120.0° |
| N3 | C3 | H7 | 108.4° | 109.5° |
| N3 | C3 | H8 | 108.4° | 109.5° |
| N3 | C2 | N2 | 118.2° | 120.0° |
| N3 | C2 | N1 | 118.0° | 120.1° |
| C2 | N3 | H6 | 116.7° | 120.0° |
| N4 | C7 | N6 | 122.5° | 120.0° |
| C7 | N4 | C6 | 124.8° | 120.0° |
| C7 | N4 | H15 | 117.6° | 120.0° |
| C7 | N6 | C8 | 129.0° | 120.0° |
| C7 | N6 | H17 | 115.5° | 120.1° |
| N4 | C6 | C5 | 110.3° | 109.5° |
| N4 | C6 | H13 | 109.2° | 109.5° |
| N4 | C6 | H14 | 109.3° | 109.5° |
| C6 | N4 | H15 | 117.6° | 120.0° |
| C6 | C5 | H11 | 107.7° | 109.4° |
| C6 | C5 | H12 | 107.8° | 109.4° |
| C5 | C6 | H13 | 109.3° | 109.4° |
| C5 | C6 | H14 | 109.3° | 109.4° |
| N2 | C2 | N1 | 123.8° | 120.0° |
| C2 | N2 | H5 | 112.0° | 120.0° |
| C2 | N1 | C1 | 128.2° | 120.0° |
| C2 | N1 | H4 | 115.9° | 120.0° |
| N6 | C8 | C35 | 110.6° | 109.4° |
| N6 | C8 | O1 | 117.2° | 109.5° |
| C8 | N6 | H17 | 115.5° | 120.0° |
| N6 | C8 | H18 | 107.0° | 109.5° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C1 | N1 | H4 | 115.9° | 120.0° |
| C35 | C8 | O1 | 108.7° | 109.4° |
| C8 | C35 | O21 | 111.5° | 109.5° |
| C8 | C35 | C13 | 110.1° | 109.2° |
| C35 | C8 | H18 | 105.8° | 109.5° |
| C8 | C35 | H63 | 107.8° | 109.6° |
| C8 | O1 | C9 | 108.8° | 114.1° |
| O1 | C8 | H18 | 106.9° | 109.5° |
| O21 | C35 | C13 | 110.3° | 109.5° |
| O21 | C35 | H63 | 109.1° | 109.5° |
| C35 | O21 | H64 | 109.5° | 114.0° |
| C35 | C13 | C11 | 114.4° | 109.1° |
| C35 | C13 | O5 | 103.8° | 109.5° |
| C35 | C13 | H26 | 109.0° | 109.6° |
| C13 | C35 | H63 | 107.8° | 109.6° |
| N7 | C12 | O3 | 111.2° | 120.1° |
| N7 | C12 | O4 | 123.6° | 120.0° |
| C12 | N7 | H24 | 120.0° | 120.0° |
| C12 | N7 | H25 | 120.0° | 120.0° |
| O1 | C9 | C11 | 107.3° | 109.4° |
| O1 | C9 | C10 | 109.9° | 109.5° |
| O1 | C9 | H19 | 108.4° | 109.5° |
| C12 | O3 | C11 | 118.0° | 117.0° |
| O3 | C12 | O4 | 125.2° | 120.0° |
| O3 | C11 | C9 | 103.4° | 109.5° |
| O3 | C11 | C13 | 109.1° | 109.6° |
| O3 | C11 | H23 | 111.4° | 109.5° |
| C11 | C9 | C10 | 115.7° | 109.5° |
| C9 | C11 | C13 | 112.6° | 109.2° |
| C11 | C9 | H19 | 107.6° | 109.5° |
| C9 | C11 | H23 | 110.3° | 109.5° |
| C9 | C10 | O2 | 108.9° | 109.4° |
| C10 | C9 | H19 | 107.8° | 109.5° |
| C9 | C10 | H20 | 109.6° | 109.5° |
| C9 | C10 | H21 | 109.6° | 109.5° |
| O2 | C10 | H20 | 109.6° | 109.5° |
| O2 | C10 | H21 | 109.6° | 109.5° |
| C10 | O2 | H22 | 109.5° | 114.0° |
| C11 | C13 | O5 | 110.7° | 109.5° |
| C13 | C11 | H23 | 109.9° | 109.5° |
| C11 | C13 | H26 | 108.6° | 109.6° |
| C13 | O5 | C14 | 116.4° | 114.0° |
| O5 | C13 | H26 | 110.2° | 109.5° |
| O5 | C14 | C34 | 109.6° | 109.5° |
| O5 | C14 | O6 | 108.3° | 109.5° |
| O5 | C14 | H27 | 110.4° | 109.5° |
| O18 | C32 | C31 | 109.1° | 109.5° |
| O18 | C32 | C26 | 110.8° | 109.5° |
| O18 | C32 | H57 | 109.9° | 109.6° |
| C32 | O18 | H58 | 109.5° | 114.0° |
| O20 | C34 | C14 | 111.5° | 109.5° |
| O20 | C34 | C20 | 112.0° | 109.5° |
| O20 | C34 | H61 | 110.0° | 109.6° |
| C34 | O20 | H62 | 109.5° | 114.0° |
| O17 | C31 | C32 | 110.4° | 109.6° |
| O17 | C31 | C29 | 110.6° | 109.6° |
| O17 | C31 | H55 | 109.0° | 109.6° |
| C31 | O17 | H56 | 109.5° | 114.0° |
| C14 | C34 | C20 | 105.8° | 109.1° |
| C34 | C14 | O6 | 110.3° | 109.4° |
| C34 | C14 | H27 | 108.4° | 109.4° |
| C14 | C34 | H61 | 108.7° | 109.5° |
| C34 | C20 | O9 | 109.5° | 109.5° |
| C34 | C20 | C17 | 110.1° | 109.0° |
| C34 | C20 | H37 | 109.3° | 109.7° |
| C20 | C34 | H61 | 108.8° | 109.6° |
| C14 | O6 | C15 | 114.6° | 114.1° |
| O6 | C14 | H27 | 109.9° | 109.5° |
| O19 | C33 | C21 | 109.9° | 109.5° |
| O19 | C33 | C25 | 110.4° | 109.5° |
| O19 | C33 | H59 | 110.0° | 109.6° |
| C33 | O19 | H60 | 109.5° | 114.0° |
| C32 | C31 | C29 | 111.1° | 109.1° |
| C31 | C32 | C26 | 109.9° | 109.1° |
| C32 | C31 | H55 | 107.8° | 109.5° |
| C31 | C32 | H57 | 108.6° | 109.5° |
| C31 | C29 | C27 | 108.6° | 109.2° |
| C31 | C29 | O16 | 109.3° | 109.5° |
| C31 | C29 | H51 | 109.6° | 109.6° |
| C29 | C31 | H55 | 107.9° | 109.5° |
| O6 | C15 | C17 | 110.8° | 109.4° |
| O6 | C15 | C16 | 103.6° | 109.4° |
| O6 | C15 | H28 | 110.1° | 109.5° |
| C32 | C26 | O13 | 110.4° | 109.5° |
| C32 | C26 | O14 | 111.4° | 109.4° |
| C32 | C26 | H46 | 108.5° | 109.5° |
| C26 | C32 | H57 | 108.5° | 109.5° |
| O13 | C26 | O14 | 106.4° | 109.5° |
| C26 | O13 | C25 | 114.6° | 114.0° |
| O13 | C26 | H46 | 110.4° | 109.5° |
| C26 | O14 | C27 | 113.8° | 114.1° |
| O14 | C26 | H46 | 109.8° | 109.5° |
| C27 | C29 | O16 | 109.1° | 109.5° |
| C29 | C27 | O14 | 108.4° | 109.4° |
| C29 | C27 | C28 | 114.6° | 109.5° |
| C29 | C27 | H47 | 108.5° | 109.5° |
| C27 | C29 | H51 | 109.3° | 109.5° |
| C29 | O16 | C30 | 115.0° | 114.0° |
| O16 | C29 | H51 | 110.8° | 109.5° |
| O9 | C20 | C17 | 108.2° | 109.6° |
| C20 | O9 | C21 | 118.2° | 114.0° |
| O9 | C20 | H37 | 110.6° | 109.5° |
| C20 | C17 | C15 | 111.1° | 109.2° |
| C20 | C17 | N8 | 109.4° | 109.5° |
| C20 | C17 | H32 | 107.9° | 109.6° |
| C17 | C20 | H37 | 109.2° | 109.6° |
| C21 | C33 | C25 | 109.4° | 109.2° |
| C33 | C21 | O9 | 109.6° | 109.5° |
| C33 | C21 | O10 | 109.9° | 109.4° |
| C33 | C21 | H38 | 107.8° | 109.5° |
| C21 | C33 | H59 | 108.6° | 109.5° |
| C33 | C25 | O13 | 109.9° | 109.6° |
| C33 | C25 | C24 | 110.8° | 109.0° |
| C33 | C25 | H45 | 108.5° | 109.5° |
| C25 | C33 | H59 | 108.5° | 109.5° |
| O9 | C21 | O10 | 110.8° | 109.5° |
| O9 | C21 | H38 | 109.6° | 109.4° |
| O13 | C25 | C24 | 109.3° | 109.6° |
| O13 | C25 | H45 | 109.8° | 109.5° |
| O7 | C16 | C15 | 108.9° | 109.5° |
| O7 | C16 | H29 | 109.6° | 109.6° |
| O7 | C16 | H30 | 109.6° | 109.5° |
| C16 | O7 | H31 | 109.5° | 114.0° |
| C17 | C15 | C16 | 114.1° | 109.5° |
| C15 | C17 | N8 | 111.5° | 109.5° |
| C17 | C15 | H28 | 108.9° | 109.5° |
| C15 | C17 | H32 | 107.9° | 109.6° |
| C16 | C15 | H28 | 109.2° | 109.5° |
| C15 | C16 | H29 | 109.6° | 109.4° |
| C15 | C16 | H30 | 109.6° | 109.4° |
| C21 | O10 | C22 | 110.8° | 114.1° |
| O10 | C21 | H38 | 109.0° | 109.4° |
| O14 | C27 | C28 | 106.9° | 109.5° |
| O14 | C27 | H47 | 109.7° | 109.5° |
| C27 | C28 | O15 | 110.4° | 109.5° |
| C28 | C27 | H47 | 108.7° | 109.5° |
| C27 | C28 | H48 | 109.3° | 109.5° |
| C27 | C28 | H49 | 109.2° | 109.4° |
| C17 | N8 | C18 | 123.3° | 120.0° |
| N8 | C17 | H32 | 108.9° | 109.5° |
| C17 | N8 | H33 | 118.4° | 120.0° |
| C25 | C24 | C22 | 107.5° | 109.2° |
| C25 | C24 | O12 | 110.1° | 109.5° |
| C25 | C24 | H43 | 109.1° | 109.6° |
| C24 | C25 | H45 | 108.5° | 109.6° |
| O16 | C30 | H52 | 109.5° | 109.5° |
| O16 | C30 | H53 | 109.5° | 109.5° |
| O16 | C30 | H54 | 109.5° | 109.5° |
| O15 | C28 | H48 | 109.2° | 109.5° |
| O15 | C28 | H49 | 109.2° | 109.5° |
| C28 | O15 | H50 | 109.5° | 114.0° |
| O8 | C18 | N8 | 122.3° | 120.0° |
| O8 | C18 | C19 | 121.7° | 120.0° |
| O10 | C22 | C24 | 107.3° | 109.4° |
| O10 | C22 | C23 | 107.8° | 109.5° |
| O10 | C22 | H39 | 109.0° | 109.5° |
| N8 | C18 | C19 | 116.1° | 120.0° |
| C18 | N8 | H33 | 118.3° | 120.0° |
| C22 | C24 | O12 | 110.5° | 109.5° |
| C24 | C22 | C23 | 116.5° | 109.5° |
| C24 | C22 | H39 | 107.8° | 109.5° |
| C22 | C24 | H43 | 109.0° | 109.5° |
| O12 | C24 | H43 | 110.5° | 109.5° |
| C24 | O12 | H44 | 109.5° | 114.0° |
| C22 | C23 | O11 | 110.6° | 109.5° |
| C23 | C22 | H39 | 108.2° | 109.5° |
| C22 | C23 | H40 | 109.2° | 109.4° |
| C22 | C23 | H41 | 109.2° | 109.5° |
| C18 | C19 | H34 | 109.5° | 109.5° |
| C18 | C19 | H35 | 109.5° | 109.5° |
| C18 | C19 | H36 | 109.5° | 109.5° |
| O11 | C23 | H40 | 109.2° | 109.5° |
| O11 | C23 | H41 | 109.2° | 109.5° |
| C23 | O11 | H42 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.4° |
| H11 | C5 | H12 | 109.5° | 109.4° |
| H13 | C6 | H14 | 109.5° | 109.4° |
| H20 | C10 | H21 | 109.4° | 109.5° |
| H24 | N7 | H25 | 120.0° | 120.0° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.5° |
| H34 | C19 | H36 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.4° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| H52 | C30 | H53 | 109.4° | 109.5° |
| H52 | C30 | H54 | 109.4° | 109.4° |
| H53 | C30 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C7 | N4 | N6 | 177.8° | 180.0° |
| N5 | C7 | N4 | C6 | 10.2° | 0.0° |
| N5 | C7 | N6 | C8 | 165.1° | 178.0° |
| N5 | C7 | N4 | H15 | 169.8° | 180.0° |
| N5 | C7 | N6 | H17 | 14.9° | 1.9° |
| C3 | C4 | C5 | H9 | 120.8° | 120.0° |
| C3 | C4 | C5 | H10 | 120.7° | 120.1° |
| C4 | C3 | N3 | H7 | 120.6° | 119.9° |
| C4 | C3 | N3 | H8 | 120.6° | 120.1° |
| C4 | C3 | N3 | C2 | 158.9° | 179.9° |
| C3 | C4 | C5 | C6 | 144.4° | 180.0° |
| C4 | C3 | N3 | H6 | 21.0° | 0.0° |
| C4 | C3 | H7 | H8 | 118.1° | 120.0° |
| C3 | C4 | H9 | H10 | 117.7° | 120.0° |
| C3 | C4 | C5 | H11 | 94.7° | 60.0° |
| C3 | C4 | C5 | H12 | 23.4° | 59.9° |
| C5 | C4 | C3 | N3 | 113.9° | 180.0° |
| C4 | C5 | C6 | N4 | 118.1° | 180.0° |
| C4 | C5 | C6 | H11 | 121.0° | 120.0° |
| C4 | C5 | C6 | H12 | 121.0° | 120.1° |
| C5 | C4 | C3 | H7 | 125.4° | 60.1° |
| C5 | C4 | C3 | H8 | 6.7° | 60.0° |
| C5 | C4 | H9 | H10 | 117.7° | 120.0° |
| C4 | C5 | H11 | H12 | 117.0° | 120.0° |
| C4 | C5 | C6 | H13 | 121.8° | 60.0° |
| C4 | C5 | C6 | H14 | 2.1° | 59.9° |
| C3 | N3 | C2 | H6 | 180.0° | 180.0° |
| C3 | N3 | C2 | N2 | 179.4° | 0.0° |
| C3 | N3 | C2 | N1 | 0.8° | 180.0° |
| N3 | C3 | H7 | H8 | 118.0° | 120.0° |
| N3 | C3 | C4 | H9 | 125.3° | 60.0° |
| N3 | C3 | C4 | H10 | 6.8° | 59.9° |
| N3 | C2 | N2 | N1 | 179.8° | 180.0° |
| N3 | C2 | N1 | C1 | 178.5° | 180.0° |
| N3 | C2 | N1 | H4 | 1.5° | 0.0° |
| N3 | C2 | N2 | H5 | 179.8° | 180.0° |
| C2 | N3 | C3 | H7 | 80.4° | 60.0° |
| C2 | N3 | C3 | H8 | 38.3° | 60.0° |
| C7 | N4 | C6 | H15 | 180.0° | 180.0° |
| C7 | N4 | C6 | C5 | 63.1° | 180.0° |
| N4 | C7 | N6 | C8 | 17.0° | 2.0° |
| C7 | N4 | C6 | H13 | 176.7° | 60.0° |
| C7 | N4 | C6 | H14 | 57.0° | 60.0° |
| N4 | C7 | N5 | H16 | 177.9° | 174.6° |
| N4 | C7 | N6 | H17 | 163.0° | 178.0° |
| N6 | C7 | N4 | C6 | 167.6° | 180.0° |
| C7 | N6 | C8 | H17 | 180.0° | 180.0° |
| C7 | N6 | C8 | C35 | 167.2° | 145.7° |
| C7 | N6 | C8 | O1 | 41.8° | 94.4° |
| N6 | C7 | N4 | H15 | 12.4° | 0.0° |
| N6 | C7 | N5 | H16 | 0.0° | 5.4° |
| C7 | N6 | C8 | H18 | 78.1° | 25.7° |
| N4 | C6 | C5 | H13 | 120.1° | 120.0° |
| N4 | C6 | C5 | H14 | 120.1° | 120.1° |
| N4 | C6 | C5 | H11 | 121.0° | 60.0° |
| N4 | C6 | C5 | H12 | 2.9° | 59.9° |
| N4 | C6 | H13 | H14 | 119.6° | 120.0° |
| C6 | C5 | C4 | H9 | 23.6° | 60.0° |
| C6 | C5 | C4 | H10 | 94.9° | 60.0° |
| C6 | C5 | H11 | H12 | 116.9° | 119.9° |
| C5 | C6 | H13 | H14 | 119.6° | 119.9° |
| C5 | C6 | N4 | H15 | 116.9° | 0.0° |
| N2 | C2 | N1 | C1 | 1.3° | 0.0° |
| N2 | C2 | N1 | H4 | 178.7° | 180.0° |
| N2 | C2 | N3 | H6 | 0.5° | 180.0° |
| C2 | N1 | C1 | H4 | 180.0° | 180.0° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | H2 | 60.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | N2 | H5 | 0.0° | 0.0° |
| N1 | C2 | N3 | H6 | 179.3° | 0.0° |
| N6 | C8 | C35 | O1 | 130.0° | 120.0° |
| N6 | C8 | C35 | H18 | 115.5° | 120.0° |
| N6 | C8 | O1 | H18 | 120.0° | 120.1° |
| N6 | C8 | C35 | O21 | 29.0° | 57.7° |
| N6 | C8 | C35 | C13 | 151.9° | 177.6° |
| N6 | C8 | O1 | C9 | 156.5° | 178.9° |
| N6 | C8 | C35 | H63 | 90.8° | 62.5° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C35 | C8 | O1 | H18 | 113.8° | 120.0° |
| C8 | C35 | O21 | C13 | 122.7° | 119.6° |
| C8 | C35 | O21 | H63 | 119.0° | 120.2° |
| C8 | C35 | C13 | H63 | 117.4° | 120.0° |
| C35 | C8 | O1 | C9 | 77.2° | 61.2° |
| C8 | C35 | C13 | C11 | 34.7° | 56.9° |
| C8 | C35 | C13 | O5 | 155.5° | 62.9° |
| C35 | C8 | N6 | H17 | 12.9° | 34.3° |
| C8 | C35 | C13 | H26 | 87.1° | 176.9° |
| C8 | C35 | O21 | H64 | 180.0° | 60.0° |
| O1 | C8 | C35 | O21 | 100.9° | 62.2° |
| O1 | C8 | C35 | C13 | 21.9° | 57.6° |
| C8 | O1 | C9 | C11 | 66.0° | 61.2° |
| C8 | O1 | C9 | C10 | 167.4° | 178.9° |
| O1 | C8 | N6 | H17 | 138.2° | 85.7° |
| C8 | O1 | C9 | H19 | 49.8° | 58.8° |
| O1 | C8 | C35 | H63 | 139.2° | 177.6° |
| O21 | C35 | C13 | H63 | 119.1° | 120.1° |
| O21 | C35 | C13 | C11 | 158.2° | 62.9° |
| O21 | C35 | C13 | O5 | 81.0° | 177.2° |
| O21 | C35 | C8 | H18 | 144.6° | 177.7° |
| O21 | C35 | C13 | H26 | 36.5° | 57.1° |
| C35 | C13 | C11 | O3 | 70.2° | 176.9° |
| C35 | C13 | C11 | C9 | 44.0° | 56.9° |
| C35 | C13 | C11 | O5 | 116.9° | 119.8° |
| C35 | C13 | C11 | H26 | 122.0° | 120.0° |
| C35 | C13 | O5 | H26 | 116.6° | 120.3° |
| C35 | C13 | O5 | C14 | 149.1° | 90.4° |
| C13 | C35 | C8 | H18 | 92.6° | 62.4° |
| C35 | C13 | C11 | H23 | 167.4° | 63.0° |
| C13 | C35 | O21 | H64 | 57.4° | 179.7° |
| N7 | C12 | O3 | O4 | 177.8° | 179.9° |
| N7 | C12 | O3 | C11 | 176.2° | 180.0° |
| C12 | N7 | H24 | H25 | 180.0° | 180.0° |
| O1 | C9 | C11 | O3 | 122.7° | 177.6° |
| O1 | C9 | C11 | C10 | 123.0° | 120.0° |
| O1 | C9 | C11 | H19 | 116.4° | 120.0° |
| O1 | C9 | C10 | H19 | 117.9° | 120.1° |
| O1 | C9 | C10 | O2 | 125.2° | 65.0° |
| O1 | C9 | C11 | C13 | 5.1° | 57.6° |
| C9 | O1 | C8 | H18 | 36.5° | 58.8° |
| O1 | C9 | C10 | H20 | 5.3° | 55.0° |
| O1 | C9 | C10 | H21 | 114.8° | 175.0° |
| O1 | C9 | C11 | H23 | 118.1° | 62.3° |
| C12 | O3 | C11 | C9 | 106.7° | 90.0° |
| C12 | O3 | C11 | C13 | 133.2° | 150.2° |
| C12 | O3 | C11 | H23 | 11.7° | 30.1° |
| O3 | C12 | N7 | H24 | 177.9° | 0.0° |
| O3 | C12 | N7 | H25 | 2.1° | 179.9° |
| O3 | C11 | C9 | C13 | 117.6° | 120.0° |
| O3 | C11 | C9 | H23 | 119.2° | 120.1° |
| O3 | C11 | C9 | C10 | 114.2° | 62.4° |
| C11 | O3 | C12 | O4 | 6.0° | 0.1° |
| O3 | C11 | C13 | H23 | 122.4° | 120.1° |
| O3 | C11 | C13 | O5 | 46.7° | 57.1° |
| O3 | C11 | C9 | H19 | 6.3° | 57.6° |
| O3 | C11 | C13 | H26 | 167.8° | 63.1° |
| C11 | C9 | C10 | H19 | 120.4° | 120.0° |
| C11 | C9 | C10 | O2 | 113.1° | 175.0° |
| C9 | C11 | C13 | H23 | 123.4° | 119.9° |
| C9 | C11 | C13 | O5 | 160.9° | 62.9° |
| C11 | C9 | C10 | H20 | 126.9° | 65.0° |
| C11 | C9 | C10 | H21 | 6.8° | 55.1° |
| C9 | C11 | C13 | H26 | 78.0° | 177.0° |
| C9 | C10 | O2 | H20 | 119.9° | 120.0° |
| C9 | C10 | O2 | H21 | 119.9° | 120.0° |
| C10 | C9 | C11 | C13 | 128.1° | 177.5° |
| C9 | C10 | H20 | H21 | 120.2° | 120.0° |
| C9 | C10 | O2 | H22 | 180.0° | 180.0° |
| C10 | C9 | C11 | H23 | 4.9° | 57.7° |
| O2 | C10 | C9 | H19 | 7.3° | 55.0° |
| O2 | C10 | H20 | H21 | 120.3° | 120.0° |
| O4 | C12 | N7 | H24 | 0.0° | 180.0° |
| O4 | C12 | N7 | H25 | 180.0° | 0.0° |
| C11 | C13 | O5 | H26 | 120.2° | 120.2° |
| C11 | C13 | O5 | C14 | 87.6° | 150.0° |
| C13 | C11 | C9 | H19 | 111.3° | 62.4° |
| C11 | C13 | C35 | H63 | 82.6° | 176.9° |
| C13 | O5 | C14 | C34 | 146.5° | 175.0° |
| C13 | O5 | C14 | O6 | 93.1° | 65.0° |
| O5 | C13 | C11 | H23 | 75.7° | 177.2° |
| C13 | O5 | C14 | H27 | 27.2° | 55.1° |
| O5 | C13 | C35 | H63 | 38.1° | 57.1° |
| O5 | C14 | C34 | O20 | 56.3° | 62.5° |
| O5 | C14 | C34 | O6 | 119.1° | 120.0° |
| O5 | C14 | C34 | H27 | 120.5° | 120.0° |
| O5 | C14 | C34 | C20 | 178.2° | 177.6° |
| O5 | C14 | O6 | H27 | 120.6° | 120.0° |
| O5 | C14 | O6 | C15 | 177.7° | 178.9° |
| C14 | O5 | C13 | H26 | 32.5° | 29.8° |
| O5 | C14 | C34 | H61 | 65.1° | 57.7° |
| O18 | C32 | C31 | O17 | 63.0° | 63.2° |
| O18 | C32 | C31 | C26 | 121.6° | 119.9° |
| O18 | C32 | C31 | H57 | 119.8° | 120.2° |
| O18 | C32 | C31 | C29 | 174.0° | 176.9° |
| O18 | C32 | C26 | H57 | 120.8° | 120.2° |
| O18 | C32 | C26 | O13 | 70.1° | 62.5° |
| O18 | C32 | C26 | O14 | 172.0° | 177.5° |
| O18 | C32 | C26 | H46 | 51.0° | 57.5° |
| O18 | C32 | C31 | H55 | 55.9° | 57.0° |
| O20 | C34 | C14 | C20 | 121.9° | 119.9° |
| O20 | C34 | C14 | H61 | 121.4° | 120.2° |
| O20 | C34 | C20 | H61 | 121.8° | 120.2° |
| O20 | C34 | C14 | O6 | 175.5° | 177.5° |
| O20 | C34 | C20 | O9 | 60.1° | 63.3° |
| O20 | C34 | C20 | C17 | 178.9° | 176.9° |
| O20 | C34 | C14 | H27 | 64.2° | 57.5° |
| O20 | C34 | C20 | H37 | 61.1° | 56.9° |
| O17 | C31 | C32 | C29 | 123.0° | 119.9° |
| O17 | C31 | C32 | H55 | 118.9° | 120.2° |
| O17 | C31 | C29 | H55 | 119.2° | 120.3° |
| O17 | C31 | C32 | C26 | 175.4° | 176.9° |
| O17 | C31 | C29 | C27 | 179.9° | 176.8° |
| O17 | C31 | C29 | O16 | 61.1° | 57.0° |
| O17 | C31 | C29 | H51 | 60.6° | 63.2° |
| O17 | C31 | C32 | H57 | 56.8° | 57.0° |
| C14 | C34 | C20 | H61 | 116.6° | 119.9° |
| C34 | C14 | O6 | H27 | 119.5° | 120.0° |
| C34 | C14 | O6 | C15 | 62.3° | 61.2° |
| C14 | C34 | C20 | O9 | 178.3° | 176.8° |
| C14 | C34 | C20 | C17 | 59.5° | 57.0° |
| C14 | C34 | C20 | H37 | 60.5° | 63.0° |
| C14 | C34 | O20 | H62 | 180.0° | 60.0° |
| C20 | C34 | C14 | O6 | 62.6° | 57.6° |
| C34 | C20 | O9 | C17 | 120.0° | 119.5° |
| C34 | C20 | O9 | H37 | 120.5° | 120.3° |
| C34 | C20 | C17 | H37 | 120.0° | 120.0° |
| C34 | C20 | O9 | C21 | 107.9° | 90.5° |
| C34 | C20 | C17 | C15 | 54.8° | 57.1° |
| C34 | C20 | C17 | N8 | 178.3° | 177.0° |
| C20 | C34 | C14 | H27 | 57.7° | 62.4° |
| C34 | C20 | C17 | H32 | 63.4° | 63.0° |
| C20 | C34 | O20 | H62 | 61.7° | 179.6° |
| C14 | O6 | C15 | C17 | 54.4° | 61.2° |
| C14 | O6 | C15 | C16 | 177.2° | 178.8° |
| C14 | O6 | C15 | H28 | 66.1° | 58.9° |
| O6 | C14 | C34 | H61 | 54.0° | 62.3° |
| O19 | C33 | C21 | C25 | 121.4° | 119.9° |
| O19 | C33 | C21 | H59 | 120.3° | 120.2° |
| O19 | C33 | C25 | H59 | 120.6° | 120.2° |
| O19 | C33 | C21 | O9 | 61.4° | 62.5° |
| O19 | C33 | C25 | O13 | 65.5° | 63.2° |
| O19 | C33 | C21 | O10 | 176.6° | 177.5° |
| O19 | C33 | C25 | C24 | 173.6° | 176.9° |
| O19 | C33 | C21 | H38 | 57.9° | 57.5° |
| O19 | C33 | C25 | H45 | 54.6° | 57.0° |
| C32 | C31 | C29 | H55 | 117.9° | 119.8° |
| C31 | C32 | C26 | H57 | 118.6° | 119.9° |
| C31 | C32 | C26 | O13 | 169.3° | 177.6° |
| C31 | C32 | C26 | O14 | 51.3° | 57.6° |
| C32 | C31 | C29 | C27 | 57.2° | 56.9° |
| C32 | C31 | C29 | O16 | 61.8° | 62.9° |
| C31 | C32 | C26 | H46 | 69.6° | 62.4° |
| C32 | C31 | C29 | H51 | 176.5° | 176.9° |
| C32 | C31 | O17 | H56 | 180.0° | 60.0° |
| C31 | C32 | O18 | H58 | 180.0° | 180.0° |
| C29 | C31 | C32 | C26 | 52.3° | 57.0° |
| C31 | C29 | C27 | O16 | 119.1° | 119.9° |
| C31 | C29 | C27 | H51 | 119.5° | 120.0° |
| C31 | C29 | O16 | H51 | 120.9° | 120.2° |
| C31 | C29 | C27 | O14 | 60.5° | 57.5° |
| C31 | C29 | C27 | C28 | 179.8° | 177.6° |
| C31 | C29 | O16 | C30 | 100.0° | 90.3° |
| C31 | C29 | C27 | H47 | 58.6° | 62.4° |
| C29 | C31 | O17 | H56 | 56.7° | 179.6° |
| C29 | C31 | C32 | H57 | 66.2° | 62.9° |
| O6 | C15 | C17 | C20 | 49.6° | 57.7° |
| O6 | C15 | C16 | O7 | 54.0° | 65.0° |
| O6 | C15 | C17 | C16 | 116.4° | 120.0° |
| O6 | C15 | C17 | H28 | 121.3° | 120.0° |
| O6 | C15 | C16 | H28 | 117.3° | 120.0° |
| O6 | C15 | C17 | N8 | 171.9° | 177.5° |
| C15 | O6 | C14 | H27 | 57.1° | 58.8° |
| O6 | C15 | C16 | H29 | 66.0° | 174.9° |
| O6 | C15 | C16 | H30 | 173.9° | 55.0° |
| O6 | C15 | C17 | H32 | 68.5° | 62.4° |
| C32 | C26 | O13 | O14 | 121.0° | 119.9° |
| C32 | C26 | O13 | H46 | 119.9° | 120.0° |
| C32 | C26 | O14 | H46 | 120.2° | 120.0° |
| C32 | C26 | O13 | C25 | 162.8° | 175.1° |
| C32 | C26 | O14 | C27 | 58.4° | 61.2° |
| C26 | C32 | C31 | H55 | 65.7° | 62.9° |
| C26 | C32 | O18 | H58 | 58.9° | 60.3° |
| O13 | C26 | O14 | H46 | 119.4° | 120.0° |
| C26 | O13 | C25 | C33 | 131.4° | 90.4° |
| O13 | C26 | O14 | C27 | 178.8° | 178.9° |
| C26 | O13 | C25 | C24 | 106.8° | 150.0° |
| C26 | O13 | C25 | H45 | 12.2° | 29.8° |
| O13 | C26 | C32 | H57 | 50.7° | 57.7° |
| C26 | O14 | C27 | C29 | 62.6° | 61.2° |
| O14 | C26 | O13 | C25 | 76.2° | 65.0° |
| C26 | O14 | C27 | C28 | 173.4° | 178.8° |
| C26 | O14 | C27 | H47 | 55.7° | 58.8° |
| O14 | C26 | C32 | H57 | 67.3° | 62.3° |
| C27 | C29 | O16 | H51 | 120.4° | 120.1° |
| C29 | C27 | O14 | C28 | 124.1° | 120.0° |
| C29 | C27 | O14 | H47 | 118.3° | 119.9° |
| C29 | C27 | C28 | H47 | 121.5° | 120.0° |
| C27 | C29 | O16 | C30 | 141.3° | 150.0° |
| C29 | C27 | C28 | O15 | 173.7° | 175.0° |
| C29 | C27 | C28 | H48 | 53.6° | 55.0° |
| C29 | C27 | C28 | H49 | 66.1° | 65.0° |
| C27 | C29 | C31 | H55 | 60.7° | 62.9° |
| O16 | C29 | C27 | O14 | 58.6° | 62.3° |
| O16 | C29 | C27 | C28 | 60.7° | 57.7° |
| O16 | C29 | C27 | H47 | 177.7° | 177.7° |
| C29 | O16 | C30 | H52 | 180.0° | 60.0° |
| C29 | O16 | C30 | H53 | 60.0° | 180.0° |
| C29 | O16 | C30 | H54 | 60.0° | 60.0° |
| O16 | C29 | C31 | H55 | 179.7° | 177.2° |
| O9 | C20 | C17 | H37 | 120.4° | 120.2° |
| C20 | O9 | C21 | C33 | 156.4° | 175.1° |
| O9 | C20 | C17 | C15 | 174.4° | 176.8° |
| C20 | O9 | C21 | O10 | 82.1° | 64.9° |
| O9 | C20 | C17 | N8 | 62.1° | 63.3° |
| O9 | C20 | C17 | H32 | 56.2° | 56.8° |
| C20 | O9 | C21 | H38 | 38.3° | 55.0° |
| O9 | C20 | C34 | H61 | 61.7° | 57.0° |
| C17 | C20 | O9 | C21 | 132.1° | 150.0° |
| C20 | C17 | C15 | N8 | 122.3° | 119.9° |
| C20 | C17 | C15 | H32 | 118.1° | 120.0° |
| C20 | C17 | C15 | C16 | 166.0° | 177.6° |
| C20 | C17 | N8 | H32 | 117.7° | 120.1° |
| C20 | C17 | N8 | C18 | 130.0° | 155.4° |
| C20 | C17 | C15 | H28 | 71.7° | 62.3° |
| C20 | C17 | N8 | H33 | 49.9° | 24.7° |
| C17 | C20 | C34 | H61 | 57.1° | 62.9° |
| C21 | C33 | C25 | H59 | 118.3° | 119.9° |
| C33 | C21 | O9 | O10 | 121.5° | 120.0° |
| C33 | C21 | O9 | H38 | 118.1° | 120.1° |
| C21 | C33 | C25 | O13 | 173.4° | 176.9° |
| C33 | C21 | O10 | H38 | 118.0° | 120.0° |
| C21 | C33 | C25 | C24 | 52.5° | 57.0° |
| C33 | C21 | O10 | C22 | 64.9° | 61.1° |
| C21 | C33 | C25 | H45 | 66.5° | 62.9° |
| C21 | C33 | O19 | H60 | 180.0° | 60.0° |
| C25 | C33 | C21 | O9 | 177.2° | 177.6° |
| C33 | C25 | O13 | C24 | 121.8° | 119.6° |
| C33 | C25 | O13 | H45 | 119.3° | 120.2° |
| C25 | C33 | C21 | O10 | 55.2° | 57.6° |
| C33 | C25 | C24 | H45 | 119.0° | 119.9° |
| C33 | C25 | C24 | C22 | 56.4° | 57.0° |
| C33 | C25 | C24 | O12 | 64.1° | 62.9° |
| C25 | C33 | C21 | H38 | 63.5° | 62.4° |
| C33 | C25 | C24 | H43 | 174.5° | 176.9° |
| C25 | C33 | O19 | H60 | 59.2° | 179.7° |
| O9 | C21 | O10 | H38 | 120.8° | 119.9° |
| O9 | C21 | O10 | C22 | 173.9° | 178.8° |
| C21 | O9 | C20 | H37 | 12.6° | 29.8° |
| O9 | C21 | C33 | H59 | 58.9° | 57.7° |
| O13 | C25 | C24 | H45 | 119.8° | 120.2° |
| O13 | C25 | C24 | C22 | 177.6° | 177.0° |
| O13 | C25 | C24 | O12 | 57.2° | 57.0° |
| O13 | C25 | C24 | H43 | 64.2° | 63.1° |
| C25 | O13 | C26 | H46 | 42.9° | 55.0° |
| O13 | C25 | C33 | H59 | 55.1° | 57.0° |
| O7 | C16 | C15 | C17 | 174.5° | 175.1° |
| O7 | C16 | C15 | H29 | 119.9° | 120.1° |
| O7 | C16 | C15 | H30 | 119.9° | 120.0° |
| O7 | C16 | C15 | H28 | 63.4° | 55.0° |
| O7 | C16 | H29 | H30 | 120.3° | 120.1° |
| C17 | C15 | C16 | H28 | 122.1° | 120.1° |
| C15 | C17 | N8 | H32 | 119.0° | 120.2° |
| C15 | C17 | N8 | C18 | 106.6° | 84.9° |
| C17 | C15 | C16 | H29 | 54.6° | 55.0° |
| C17 | C15 | C16 | H30 | 65.6° | 64.9° |
| C15 | C17 | N8 | H33 | 73.4° | 95.0° |
| C15 | C17 | C20 | H37 | 65.2° | 63.0° |
| C16 | C15 | C17 | N8 | 71.7° | 62.5° |
| C15 | C16 | H29 | H30 | 120.2° | 119.9° |
| C15 | C16 | O7 | H31 | 68.5° | 180.0° |
| C16 | C15 | C17 | H32 | 47.9° | 57.6° |
| C21 | O10 | C22 | C24 | 68.6° | 61.1° |
| C21 | O10 | C22 | C23 | 165.2° | 178.9° |
| C21 | O10 | C22 | H39 | 47.9° | 58.9° |
| O10 | C21 | C33 | H59 | 63.0° | 62.3° |
| O14 | C27 | C28 | H47 | 118.3° | 120.0° |
| O14 | C27 | C28 | O15 | 66.1° | 65.0° |
| C27 | O14 | C26 | H46 | 61.8° | 58.8° |
| O14 | C27 | C28 | H48 | 173.8° | 175.0° |
| O14 | C27 | C28 | H49 | 54.0° | 55.0° |
| O14 | C27 | C29 | H51 | 180.0° | 177.6° |
| C27 | C28 | O15 | H48 | 120.2° | 120.0° |
| C27 | C28 | O15 | H49 | 120.1° | 119.9° |
| C27 | C28 | H48 | H49 | 119.6° | 120.0° |
| C27 | C28 | O15 | H50 | 180.0° | 180.0° |
| C28 | C27 | C29 | H51 | 60.6° | 62.4° |
| C17 | N8 | C18 | O8 | 5.1° | 0.1° |
| C17 | N8 | C18 | H33 | 180.0° | 179.9° |
| C17 | N8 | C18 | C19 | 174.5° | 180.0° |
| N8 | C17 | C15 | H28 | 50.6° | 57.6° |
| N8 | C17 | C20 | H37 | 58.3° | 56.9° |
| C25 | C24 | C22 | O10 | 62.8° | 57.6° |
| C25 | C24 | C22 | O12 | 120.2° | 119.9° |
| C25 | C24 | C22 | H43 | 118.1° | 120.0° |
| C25 | C24 | O12 | H43 | 120.6° | 120.2° |
| C25 | C24 | C22 | C23 | 176.3° | 177.6° |
| C25 | C24 | C22 | H39 | 54.5° | 62.4° |
| C25 | C24 | O12 | H44 | 180.0° | 179.7° |
| C24 | C25 | C33 | H59 | 65.8° | 62.9° |
| C30 | O16 | C29 | H51 | 20.8° | 29.9° |
| O16 | C30 | H52 | H53 | 120.0° | 120.0° |
| O16 | C30 | H52 | H54 | 120.0° | 120.0° |
| O16 | C30 | H53 | H54 | 120.0° | 120.0° |
| O15 | C28 | C27 | H47 | 52.3° | 55.0° |
| O15 | C28 | H48 | H49 | 119.6° | 120.0° |
| O8 | C18 | N8 | C19 | 179.6° | 179.9° |
| O8 | C18 | N8 | H33 | 174.9° | 180.0° |
| O8 | C18 | C19 | H34 | 0.0° | 179.9° |
| O8 | C18 | C19 | H35 | 120.0° | 60.0° |
| O8 | C18 | C19 | H36 | 120.0° | 60.0° |
| O10 | C22 | C24 | C23 | 120.9° | 120.0° |
| O10 | C22 | C24 | H39 | 117.3° | 120.0° |
| O10 | C22 | C24 | O12 | 57.4° | 62.3° |
| O10 | C22 | C23 | H39 | 117.8° | 120.0° |
| O10 | C22 | C23 | O11 | 94.4° | 65.0° |
| C22 | O10 | C21 | H38 | 53.1° | 58.9° |
| O10 | C22 | C23 | H40 | 145.4° | 175.0° |
| O10 | C22 | C23 | H41 | 25.7° | 55.0° |
| O10 | C22 | C24 | H43 | 179.1° | 177.6° |
| C18 | N8 | C17 | H32 | 12.4° | 35.2° |
| N8 | C18 | C19 | H34 | 179.6° | 0.0° |
| N8 | C18 | C19 | H35 | 60.4° | 120.0° |
| N8 | C18 | C19 | H36 | 59.6° | 120.1° |
| C22 | C24 | O12 | H43 | 120.8° | 120.1° |
| C24 | C22 | C23 | H39 | 121.6° | 120.1° |
| C24 | C22 | C23 | O11 | 144.9° | 175.1° |
| C24 | C22 | C23 | H40 | 24.8° | 55.1° |
| C24 | C22 | C23 | H41 | 94.9° | 64.9° |
| C22 | C24 | O12 | H44 | 61.3° | 60.0° |
| C22 | C24 | C25 | H45 | 62.6° | 62.8° |
| O12 | C24 | C22 | C23 | 63.5° | 57.6° |
| O12 | C24 | C22 | H39 | 174.8° | 177.7° |
| O12 | C24 | C25 | H45 | 176.9° | 177.2° |
| C22 | C23 | O11 | H40 | 120.2° | 120.0° |
| C22 | C23 | O11 | H41 | 120.2° | 120.0° |
| C22 | C23 | H40 | H41 | 119.5° | 120.0° |
| C22 | C23 | O11 | H42 | 180.0° | 180.0° |
| C23 | C22 | C24 | H43 | 58.2° | 62.4° |
| C19 | C18 | N8 | H33 | 5.5° | 0.1° |
| C18 | C19 | H34 | H35 | 120.0° | 120.0° |
| C18 | C19 | H34 | H36 | 120.0° | 120.0° |
| C18 | C19 | H35 | H36 | 120.0° | 120.0° |
| O11 | C23 | C22 | H39 | 23.4° | 55.0° |
| O11 | C23 | H40 | H41 | 119.5° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N1 | H4 | 0.0° | 0.0° |
| H2 | C1 | N1 | H4 | 120.0° | 120.0° |
| H3 | C1 | N1 | H4 | 120.0° | 120.0° |
| H6 | N3 | C3 | H7 | 99.6° | 120.0° |
| H6 | N3 | C3 | H8 | 141.7° | 120.0° |
| H7 | C3 | C4 | H9 | 4.7° | 180.0° |
| H7 | C3 | C4 | H10 | 113.8° | 60.0° |
| H8 | C3 | C4 | H9 | 114.0° | 60.0° |
| H8 | C3 | C4 | H10 | 127.5° | 180.0° |
| H9 | C4 | C5 | H11 | 144.6° | 180.0° |
| H9 | C4 | C5 | H12 | 97.4° | 60.0° |
| H10 | C4 | C5 | H11 | 26.1° | 60.0° |
| H10 | C4 | C5 | H12 | 144.1° | 180.0° |
| H11 | C5 | C6 | H13 | 0.9° | 180.0° |
| H11 | C5 | C6 | H14 | 118.9° | 60.1° |
| H12 | C5 | C6 | H13 | 117.2° | 60.1° |
| H12 | C5 | C6 | H14 | 123.1° | 180.0° |
| H13 | C6 | N4 | H15 | 3.3° | 120.0° |
| H14 | C6 | N4 | H15 | 123.0° | 120.0° |
| H17 | N6 | C8 | H18 | 101.9° | 154.2° |
| H18 | C8 | C35 | H63 | 24.7° | 57.5° |
| H19 | C9 | C10 | H20 | 112.6° | 175.0° |
| H19 | C9 | C10 | H21 | 127.2° | 64.9° |
| H19 | C9 | C11 | H23 | 125.5° | 177.7° |
| H20 | C10 | O2 | H22 | 60.0° | 60.0° |
| H21 | C10 | O2 | H22 | 60.1° | 60.0° |
| H23 | C11 | C13 | H26 | 45.4° | 57.1° |
| H26 | C13 | C35 | H63 | 155.6° | 63.1° |
| H27 | C14 | C34 | H61 | 174.4° | 177.7° |
| H28 | C15 | C16 | H29 | 176.7° | 65.1° |
| H28 | C15 | C16 | H30 | 56.5° | 175.0° |
| H28 | C15 | C17 | H32 | 170.2° | 177.7° |
| H29 | C16 | O7 | H31 | 51.4° | 60.0° |
| H30 | C16 | O7 | H31 | 171.5° | 60.0° |
| H32 | C17 | N8 | H33 | 167.6° | 144.9° |
| H32 | C17 | C20 | H37 | 176.6° | 177.0° |
| H34 | C19 | H35 | H36 | 120.0° | 120.0° |
| H37 | C20 | C34 | H61 | 177.1° | 177.1° |
| H38 | C21 | C33 | H59 | 178.2° | 177.7° |
| H39 | C22 | C23 | H40 | 96.8° | 65.0° |
| H39 | C22 | C23 | H41 | 143.5° | 175.0° |
| H39 | C22 | C24 | H43 | 63.6° | 57.6° |
| H40 | C23 | O11 | H42 | 59.8° | 60.0° |
| H41 | C23 | O11 | H42 | 59.9° | 60.0° |
| H43 | C24 | O12 | H44 | 59.4° | 60.1° |
| H43 | C24 | C25 | H45 | 55.5° | 57.1° |
| H45 | C25 | C33 | H59 | 175.2° | 177.2° |
| H46 | C26 | C32 | H57 | 171.8° | 177.7° |
| H47 | C27 | C28 | H48 | 67.9° | 65.0° |
| H47 | C27 | C28 | H49 | 172.4° | 175.0° |
| H47 | C27 | C29 | H51 | 61.0° | 57.6° |
| H48 | C28 | O15 | H50 | 59.9° | 60.0° |
| H49 | C28 | O15 | H50 | 59.9° | 60.1° |
| H51 | C29 | C31 | H55 | 58.6° | 57.1° |
| H52 | C30 | H53 | H54 | 120.0° | 120.0° |
| H55 | C31 | O17 | H56 | 61.8° | 60.2° |
| H55 | C31 | C32 | H57 | 175.7° | 177.2° |
| H57 | C32 | O18 | H58 | 61.1° | 59.9° |
| H59 | C33 | O19 | H60 | 60.5° | 60.1° |
| H61 | C34 | O20 | H62 | 59.3° | 60.1° |
| H63 | C35 | O21 | H64 | 60.9° | 60.1° |
