3WY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C25 | doub | 1.21Å | 1.22Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | O4 | sing | 1.34Å | 1.31Å | |
| C25 | C17 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | C16 | sing | 1.35Å | 1.33Å | |
| C16 | O2 | doub | 1.21Å | 1.23Å | |
| C16 | C14 | sing | 1.51Å | 1.56Å | |
| C11 | C10 | sing | 1.55Å | 1.50Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C10 | C9 | sing | 1.55Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C26 | O5 | sing | 1.43Å | 1.44Å | |
| C13 | O5 | sing | 1.43Å | 1.43Å | |
| N1 | C8 | sing | 1.35Å | 1.35Å | |
| O1 | C8 | doub | 1.21Å | 1.22Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.59Å | |
| C27 | O6 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | C3 | sing | 1.53Å | 1.58Å | |
| C5 | N3 | sing | 1.46Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| N3 | C28 | sing | 1.46Å | 1.47Å | |
| N3 | C29 | sing | 1.35Å | 1.36Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C30 | N4 | sing | 1.46Å | 1.46Å | |
| C29 | O7 | doub | 1.21Å | 1.22Å | |
| O8 | C34 | doub | 1.21Å | 1.23Å | |
| N4 | C34 | sing | 1.35Å | 1.34Å | |
| C34 | C35 | sing | 1.51Å | 1.54Å | |
| C37 | C36 | sing | 1.55Å | 1.52Å | |
| C37 | C38 | sing | 1.55Å | 1.52Å | |
| C36 | C35 | sing | 1.54Å | 1.55Å | |
| C35 | N5 | sing | 1.48Å | 1.49Å | |
| C35 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | N5 | sing | 1.49Å | 1.47Å | |
| C36 | H1 | sing | 1.09Å | 1.10Å | |
| C36 | H2 | sing | 1.09Å | 1.10Å | |
| C33 | H3 | sing | 1.09Å | 1.10Å | |
| C33 | H4 | sing | 1.09Å | 1.10Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C37 | H7 | sing | 1.09Å | 1.10Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| N5 | H23 | sing | 1.01Å | 1.00Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C15 | H38 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C2 | H43 | sing | 1.09Å | 1.10Å | |
| C2 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C1 | H46 | sing | 1.09Å | 1.10Å | |
| C1 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H59 | sing | 1.09Å | 1.10Å | |
| C17 | H60 | sing | 1.09Å | 1.10Å | |
| C22 | H61 | sing | 1.08Å | 1.08Å | |
| C23 | H62 | sing | 1.08Å | 1.08Å | |
| C24 | H63 | sing | 1.08Å | 1.08Å | |
| O4 | H64 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C25 | O4 | 123.7° | 120.0° |
| O3 | C25 | C17 | 122.4° | 120.0° |
| C21 | C20 | C19 | 120.8° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C20 | H21 | 119.6° | 120.0° |
| C20 | C21 | H22 | 119.9° | 120.0° |
| C20 | C19 | C18 | 120.5° | 120.0° |
| C20 | C19 | C24 | 118.3° | 120.0° |
| C19 | C20 | H21 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C22 | C21 | H22 | 119.9° | 120.0° |
| C21 | C22 | H61 | 120.2° | 120.0° |
| C19 | C18 | C17 | 114.6° | 109.5° |
| C18 | C19 | C24 | 121.0° | 120.0° |
| C19 | C18 | H25 | 108.2° | 109.4° |
| C19 | C18 | H26 | 108.2° | 109.4° |
| C18 | C17 | C25 | 111.7° | 109.5° |
| C18 | C17 | N2 | 110.5° | 109.5° |
| C17 | C18 | H25 | 108.2° | 109.5° |
| C17 | C18 | H26 | 108.2° | 109.5° |
| C18 | C17 | H60 | 107.0° | 109.5° |
| C19 | C24 | C23 | 120.9° | 120.0° |
| C19 | C24 | H63 | 119.5° | 120.0° |
| O4 | C25 | C17 | 113.9° | 120.0° |
| C25 | O4 | H64 | 109.5° | 117.0° |
| C25 | C17 | N2 | 112.1° | 109.5° |
| C25 | C17 | H60 | 107.1° | 109.5° |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C23 | C22 | H61 | 120.2° | 120.0° |
| C22 | C23 | H62 | 119.9° | 120.0° |
| C24 | C23 | H62 | 119.9° | 120.0° |
| C23 | C24 | H63 | 119.6° | 120.0° |
| C17 | N2 | C16 | 122.0° | 120.0° |
| C17 | N2 | H14 | 119.0° | 120.0° |
| N2 | C17 | H60 | 108.1° | 109.5° |
| N2 | C16 | O2 | 123.1° | 120.0° |
| N2 | C16 | C14 | 113.3° | 120.0° |
| C16 | N2 | H14 | 119.0° | 120.0° |
| O2 | C16 | C14 | 123.5° | 120.0° |
| C16 | C14 | C15 | 108.6° | 109.5° |
| C16 | C14 | C13 | 110.5° | 109.5° |
| C16 | C14 | H35 | 106.9° | 109.5° |
| C10 | C11 | C12 | 104.8° | 102.9° |
| C11 | C10 | C9 | 104.6° | 101.6° |
| C10 | C11 | H31 | 110.7° | 110.7° |
| C10 | C11 | H32 | 110.6° | 110.7° |
| C11 | C10 | H33 | 110.7° | 111.0° |
| C11 | C10 | H34 | 110.7° | 111.1° |
| C11 | C12 | C13 | 119.3° | 109.9° |
| C11 | C12 | N1 | 103.3° | 107.3° |
| C11 | C12 | H30 | 104.4° | 110.0° |
| C12 | C11 | H31 | 110.6° | 110.8° |
| C12 | C11 | H32 | 110.6° | 110.7° |
| C10 | C9 | N1 | 103.4° | 104.8° |
| C10 | C9 | H18 | 111.0° | 110.4° |
| C10 | C9 | H19 | 111.0° | 110.4° |
| C9 | C10 | H33 | 110.7° | 111.0° |
| C9 | C10 | H34 | 110.7° | 111.0° |
| C15 | C14 | C13 | 116.3° | 109.4° |
| C15 | C14 | H35 | 107.3° | 109.5° |
| C14 | C15 | H36 | 109.5° | 109.4° |
| C14 | C15 | H37 | 109.4° | 109.5° |
| C14 | C15 | H38 | 109.5° | 109.4° |
| C14 | C13 | C12 | 116.1° | 109.5° |
| C14 | C13 | O5 | 112.5° | 109.5° |
| C14 | C13 | H20 | 102.2° | 109.4° |
| C13 | C14 | H35 | 106.9° | 109.5° |
| C13 | C12 | N1 | 118.6° | 109.9° |
| C12 | C13 | O5 | 117.3° | 109.5° |
| C12 | C13 | H20 | 102.4° | 109.5° |
| C13 | C12 | H30 | 104.5° | 109.9° |
| C12 | N1 | C9 | 112.2° | 108.7° |
| C12 | N1 | C8 | 123.1° | 125.7° |
| N1 | C12 | H30 | 105.1° | 109.9° |
| C9 | N1 | C8 | 124.0° | 125.6° |
| N1 | C9 | H18 | 111.0° | 110.4° |
| N1 | C9 | H19 | 111.0° | 110.4° |
| C26 | O5 | C13 | 117.3° | 114.0° |
| O5 | C26 | H27 | 109.5° | 109.5° |
| O5 | C26 | H28 | 109.5° | 109.5° |
| O5 | C26 | H29 | 109.5° | 109.5° |
| O5 | C13 | H20 | 103.4° | 109.5° |
| N1 | C8 | O1 | 120.9° | 120.0° |
| N1 | C8 | C7 | 117.8° | 120.0° |
| O1 | C8 | C7 | 120.2° | 120.0° |
| C8 | C7 | C6 | 112.4° | 109.5° |
| C8 | C7 | H15 | 108.7° | 109.5° |
| C8 | C7 | H16 | 108.7° | 109.5° |
| C7 | C6 | O6 | 113.4° | 109.5° |
| C7 | C6 | C5 | 122.2° | 109.5° |
| C6 | C7 | H15 | 108.7° | 109.5° |
| C6 | C7 | H16 | 108.7° | 109.5° |
| C7 | C6 | H17 | 101.8° | 109.4° |
| O6 | C6 | C5 | 111.8° | 109.5° |
| C6 | O6 | C27 | 114.8° | 114.0° |
| O6 | C6 | H17 | 102.7° | 109.5° |
| C6 | C5 | C3 | 128.7° | 109.5° |
| C6 | C5 | N3 | 111.6° | 109.5° |
| C5 | C6 | H17 | 101.4° | 109.4° |
| C6 | C5 | H39 | 98.6° | 109.4° |
| O6 | C27 | H52 | 109.5° | 109.5° |
| O6 | C27 | H53 | 109.5° | 109.5° |
| O6 | C27 | H54 | 109.5° | 109.5° |
| C4 | C3 | C5 | 122.9° | 109.5° |
| C4 | C3 | C2 | 112.4° | 109.5° |
| C3 | C4 | H11 | 109.5° | 109.5° |
| C3 | C4 | H12 | 109.5° | 109.5° |
| C3 | C4 | H13 | 109.5° | 109.5° |
| C4 | C3 | H42 | 101.8° | 109.5° |
| C3 | C5 | N3 | 112.7° | 109.5° |
| C5 | C3 | C2 | 112.7° | 109.5° |
| C3 | C5 | H39 | 98.7° | 109.4° |
| C5 | C3 | H42 | 101.4° | 109.4° |
| C5 | N3 | C28 | 110.1° | 120.0° |
| C5 | N3 | C29 | 133.8° | 120.0° |
| N3 | C5 | H39 | 98.9° | 109.5° |
| C3 | C2 | C1 | 114.0° | 109.5° |
| C2 | C3 | H42 | 101.8° | 109.5° |
| C3 | C2 | H43 | 108.3° | 109.5° |
| C3 | C2 | H44 | 108.3° | 109.5° |
| C1 | C2 | H43 | 108.3° | 109.4° |
| C1 | C2 | H44 | 108.3° | 109.5° |
| C2 | C1 | H45 | 109.5° | 109.5° |
| C2 | C1 | H46 | 109.5° | 109.4° |
| C2 | C1 | H47 | 109.5° | 109.5° |
| C32 | C31 | C30 | 113.1° | 109.5° |
| C32 | C31 | C33 | 111.1° | 109.5° |
| C31 | C32 | H8 | 109.5° | 109.5° |
| C31 | C32 | H9 | 109.5° | 109.5° |
| C31 | C32 | H10 | 109.4° | 109.5° |
| C32 | C31 | H48 | 105.9° | 109.5° |
| C28 | N3 | C29 | 116.1° | 120.0° |
| N3 | C28 | H49 | 109.5° | 109.5° |
| N3 | C28 | H50 | 109.4° | 109.5° |
| N3 | C28 | H51 | 109.5° | 109.5° |
| N3 | C29 | C30 | 124.0° | 120.0° |
| N3 | C29 | O7 | 120.1° | 120.0° |
| C30 | C31 | C33 | 114.6° | 109.5° |
| C31 | C30 | C29 | 113.2° | 109.4° |
| C31 | C30 | N4 | 110.3° | 109.5° |
| C31 | C30 | H40 | 109.3° | 109.5° |
| C30 | C31 | H48 | 105.6° | 109.5° |
| C31 | C33 | H3 | 109.5° | 109.5° |
| C31 | C33 | H4 | 109.4° | 109.5° |
| C31 | C33 | H5 | 109.5° | 109.5° |
| C33 | C31 | H48 | 105.7° | 109.5° |
| C29 | C30 | N4 | 103.9° | 109.5° |
| C30 | C29 | O7 | 115.9° | 120.0° |
| C29 | C30 | H40 | 109.5° | 109.5° |
| C30 | N4 | C34 | 123.7° | 120.0° |
| N4 | C30 | H40 | 110.6° | 109.5° |
| C30 | N4 | H41 | 118.2° | 120.0° |
| O8 | C34 | N4 | 123.3° | 120.0° |
| O8 | C34 | C35 | 120.4° | 120.0° |
| N4 | C34 | C35 | 116.2° | 120.0° |
| C34 | N4 | H41 | 118.2° | 120.0° |
| C34 | C35 | C36 | 105.2° | 109.9° |
| C34 | C35 | N5 | 113.8° | 109.9° |
| C34 | C35 | C39 | 110.7° | 110.1° |
| C36 | C37 | C38 | 101.2° | 102.9° |
| C37 | C36 | C35 | 103.4° | 105.1° |
| C37 | C36 | H1 | 111.0° | 110.3° |
| C37 | C36 | H2 | 111.0° | 110.4° |
| C36 | C37 | H6 | 111.5° | 110.8° |
| C36 | C37 | H7 | 111.5° | 110.8° |
| C37 | C38 | N5 | 106.8° | 103.3° |
| C38 | C37 | H6 | 111.5° | 110.7° |
| C38 | C37 | H7 | 111.5° | 110.7° |
| C37 | C38 | H58 | 110.1° | 110.7° |
| C37 | C38 | H59 | 110.1° | 110.7° |
| C36 | C35 | N5 | 105.4° | 107.1° |
| C36 | C35 | C39 | 110.7° | 109.9° |
| C35 | C36 | H1 | 111.0° | 110.3° |
| C35 | C36 | H2 | 111.0° | 110.3° |
| N5 | C35 | C39 | 110.8° | 109.9° |
| C35 | N5 | C38 | 107.6° | 105.8° |
| C35 | N5 | H23 | 109.9° | 111.0° |
| C35 | C39 | H55 | 109.5° | 109.5° |
| C35 | C39 | H56 | 109.4° | 109.5° |
| C35 | C39 | H57 | 109.5° | 109.5° |
| C38 | N5 | H23 | 110.0° | 111.1° |
| N5 | C38 | H58 | 110.1° | 110.6° |
| N5 | C38 | H59 | 110.2° | 110.7° |
| H1 | C36 | H2 | 109.5° | 110.3° |
| H3 | C33 | H4 | 109.5° | 109.5° |
| H3 | C33 | H5 | 109.5° | 109.5° |
| H4 | C33 | H5 | 109.5° | 109.4° |
| H6 | C37 | H7 | 109.5° | 110.8° |
| H8 | C32 | H9 | 109.4° | 109.5° |
| H8 | C32 | H10 | 109.5° | 109.4° |
| H9 | C32 | H10 | 109.5° | 109.4° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H11 | C4 | H13 | 109.5° | 109.4° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 110.4° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H27 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.4° |
| H31 | C11 | H32 | 109.5° | 110.8° |
| H33 | C10 | H34 | 109.5° | 110.9° |
| H36 | C15 | H37 | 109.5° | 109.5° |
| H36 | C15 | H38 | 109.4° | 109.5° |
| H37 | C15 | H38 | 109.5° | 109.5° |
| H43 | C2 | H44 | 109.5° | 109.5° |
| H45 | C1 | H46 | 109.5° | 109.4° |
| H45 | C1 | H47 | 109.5° | 109.5° |
| H46 | C1 | H47 | 109.4° | 109.5° |
| H49 | C28 | H50 | 109.5° | 109.4° |
| H49 | C28 | H51 | 109.5° | 109.5° |
| H50 | C28 | H51 | 109.5° | 109.5° |
| H52 | C27 | H53 | 109.5° | 109.5° |
| H52 | C27 | H54 | 109.5° | 109.5° |
| H53 | C27 | H54 | 109.5° | 109.5° |
| H55 | C39 | H56 | 109.5° | 109.5° |
| H55 | C39 | H57 | 109.4° | 109.5° |
| H56 | C39 | H57 | 109.5° | 109.4° |
| H58 | C38 | H59 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C25 | C17 | C18 | 38.8° | 120.0° |
| O3 | C25 | O4 | C17 | 178.0° | 180.0° |
| O3 | C25 | C17 | N2 | 163.5° | 0.0° |
| O3 | C25 | C17 | H60 | 78.1° | 120.0° |
| O3 | C25 | O4 | H64 | 0.0° | 0.0° |
| C21 | C20 | C19 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 173.3° | 180.0° |
| C21 | C20 | C19 | C24 | 1.7° | 0.3° |
| C20 | C21 | C22 | C23 | 0.4° | 0.2° |
| C20 | C21 | C22 | H61 | 179.5° | 180.0° |
| C19 | C20 | C21 | C22 | 0.8° | 0.1° |
| C20 | C19 | C18 | C24 | 174.9° | 179.7° |
| C20 | C19 | C18 | C17 | 151.6° | 89.7° |
| C20 | C19 | C24 | C23 | 1.4° | 0.3° |
| C19 | C20 | C21 | H22 | 179.2° | 179.9° |
| C20 | C19 | C18 | H25 | 87.7° | 150.3° |
| C20 | C19 | C18 | H26 | 30.8° | 30.3° |
| C20 | C19 | C24 | H63 | 178.6° | 179.7° |
| C21 | C22 | C23 | H61 | 180.0° | 179.8° |
| C21 | C22 | C23 | C24 | 0.7° | 0.2° |
| C22 | C21 | C20 | H21 | 179.2° | 180.0° |
| C21 | C22 | C23 | H62 | 179.3° | 179.7° |
| C19 | C18 | C17 | H25 | 120.7° | 120.0° |
| C19 | C18 | C17 | H26 | 120.7° | 120.0° |
| C19 | C18 | C17 | C25 | 130.9° | 175.0° |
| C18 | C19 | C24 | C23 | 173.6° | 180.0° |
| C19 | C18 | C17 | N2 | 103.5° | 65.0° |
| C18 | C19 | C20 | H21 | 6.7° | 0.0° |
| C19 | C18 | H25 | H26 | 117.7° | 120.0° |
| C19 | C18 | C17 | H60 | 14.0° | 55.0° |
| C18 | C19 | C24 | H63 | 6.4° | 0.0° |
| C17 | C18 | C19 | C24 | 33.5° | 90.0° |
| C18 | C17 | C25 | O4 | 143.2° | 60.0° |
| C18 | C17 | C25 | N2 | 124.7° | 120.0° |
| C18 | C17 | C25 | H60 | 116.9° | 120.0° |
| C18 | C17 | N2 | H60 | 116.8° | 120.0° |
| C18 | C17 | N2 | C16 | 153.0° | 155.0° |
| C18 | C17 | N2 | H14 | 27.0° | 25.0° |
| C17 | C18 | H25 | H26 | 117.7° | 120.1° |
| C19 | C24 | C23 | C22 | 0.3° | 0.1° |
| C19 | C24 | C23 | H63 | 180.0° | 180.0° |
| C24 | C19 | C20 | H21 | 178.3° | 179.7° |
| C24 | C19 | C18 | H25 | 87.2° | 30.0° |
| C24 | C19 | C18 | H26 | 154.3° | 150.0° |
| C19 | C24 | C23 | H62 | 179.8° | 180.0° |
| O4 | C25 | C17 | N2 | 18.5° | 180.0° |
| O4 | C25 | C17 | H60 | 99.9° | 60.0° |
| C25 | C17 | N2 | H60 | 117.8° | 120.0° |
| C25 | C17 | N2 | C16 | 81.6° | 85.0° |
| C25 | C17 | N2 | H14 | 98.4° | 95.0° |
| C25 | C17 | C18 | H25 | 10.2° | 65.1° |
| C25 | C17 | C18 | H26 | 108.3° | 55.0° |
| C17 | C25 | O4 | H64 | 178.0° | 180.0° |
| C22 | C23 | C24 | H62 | 180.0° | 179.9° |
| C23 | C22 | C21 | H22 | 179.6° | 179.8° |
| C22 | C23 | C24 | H63 | 179.8° | 180.0° |
| C24 | C23 | C22 | H61 | 179.3° | 180.0° |
| C17 | N2 | C16 | H14 | 180.0° | 179.9° |
| C17 | N2 | C16 | O2 | 8.5° | 0.0° |
| C17 | N2 | C16 | C14 | 169.4° | 180.0° |
| N2 | C17 | C18 | H25 | 135.8° | 55.0° |
| N2 | C17 | C18 | H26 | 17.3° | 175.0° |
| N2 | C16 | O2 | C14 | 177.7° | 180.0° |
| N2 | C16 | C14 | C15 | 131.5° | 63.4° |
| N2 | C16 | C14 | C13 | 99.9° | 176.6° |
| N2 | C16 | C14 | H35 | 16.0° | 56.6° |
| C16 | N2 | C17 | H60 | 36.2° | 35.0° |
| O2 | C16 | C14 | C15 | 50.6° | 116.6° |
| O2 | C16 | C14 | C13 | 78.0° | 3.4° |
| O2 | C16 | N2 | H14 | 171.5° | 180.0° |
| O2 | C16 | C14 | H35 | 166.1° | 123.4° |
| C16 | C14 | C15 | C13 | 125.3° | 120.0° |
| C16 | C14 | C15 | H35 | 115.2° | 120.0° |
| C16 | C14 | C13 | H35 | 116.0° | 120.0° |
| C16 | C14 | C13 | C12 | 38.6° | 63.4° |
| C16 | C14 | C13 | O5 | 177.8° | 176.6° |
| C14 | C16 | N2 | H14 | 10.6° | 0.0° |
| C16 | C14 | C13 | H20 | 72.0° | 56.6° |
| C16 | C14 | C15 | H36 | 180.0° | 61.7° |
| C16 | C14 | C15 | H37 | 60.0° | 178.4° |
| C16 | C14 | C15 | H38 | 60.0° | 58.3° |
| C10 | C11 | C12 | H31 | 119.3° | 118.3° |
| C10 | C11 | C12 | H32 | 119.2° | 118.3° |
| C11 | C10 | C9 | H33 | 119.2° | 118.1° |
| C11 | C10 | C9 | H34 | 119.2° | 118.2° |
| C10 | C11 | C12 | C13 | 109.4° | 141.6° |
| C10 | C11 | C12 | N1 | 24.7° | 22.2° |
| C11 | C10 | C9 | N1 | 30.7° | 37.0° |
| C11 | C10 | C9 | H18 | 149.7° | 81.8° |
| C11 | C10 | C9 | H19 | 88.4° | 155.8° |
| C10 | C11 | C12 | H30 | 134.5° | 97.3° |
| C10 | C11 | H31 | H32 | 122.2° | 123.2° |
| C11 | C10 | H33 | H34 | 122.3° | 123.9° |
| C12 | C11 | C10 | C9 | 34.8° | 35.5° |
| C11 | C12 | C13 | C14 | 70.9° | 63.3° |
| C11 | C12 | C13 | N1 | 127.2° | 117.8° |
| C11 | C12 | C13 | H30 | 116.1° | 121.1° |
| C11 | C12 | N1 | H30 | 109.2° | 119.5° |
| C11 | C12 | N1 | C9 | 5.6° | 1.1° |
| C11 | C12 | C13 | O5 | 66.3° | 56.7° |
| C11 | C12 | N1 | C8 | 164.9° | 178.9° |
| C11 | C12 | C13 | H20 | 178.6° | 176.7° |
| C12 | C11 | H31 | H32 | 122.2° | 123.3° |
| C12 | C11 | C10 | H33 | 84.4° | 153.5° |
| C12 | C11 | C10 | H34 | 154.0° | 82.6° |
| C10 | C9 | N1 | C12 | 15.5° | 24.2° |
| C10 | C9 | N1 | H18 | 119.0° | 118.8° |
| C10 | C9 | N1 | H19 | 119.0° | 118.8° |
| C10 | C9 | N1 | C8 | 174.0° | 155.8° |
| C10 | C9 | H18 | H19 | 122.8° | 122.3° |
| C9 | C10 | C11 | H31 | 84.5° | 153.9° |
| C9 | C10 | C11 | H32 | 154.0° | 82.9° |
| C9 | C10 | H33 | H34 | 122.3° | 123.9° |
| C15 | C14 | C13 | H35 | 119.7° | 120.0° |
| C15 | C14 | C13 | C12 | 162.9° | 176.6° |
| C15 | C14 | C13 | O5 | 57.9° | 56.6° |
| C15 | C14 | C13 | H20 | 52.3° | 63.4° |
| C14 | C15 | H36 | H37 | 120.0° | 120.0° |
| C14 | C15 | H36 | H38 | 120.0° | 119.9° |
| C14 | C15 | H37 | H38 | 120.0° | 120.0° |
| C14 | C13 | C12 | O5 | 137.2° | 120.0° |
| C14 | C13 | C12 | H20 | 110.4° | 120.0° |
| C14 | C13 | C12 | N1 | 161.8° | 178.9° |
| C14 | C13 | O5 | C26 | 52.7° | 104.9° |
| C14 | C13 | O5 | H20 | 109.5° | 120.0° |
| C14 | C13 | C12 | H30 | 45.2° | 57.8° |
| C13 | C14 | C15 | H36 | 54.7° | 178.3° |
| C13 | C14 | C15 | H37 | 65.3° | 58.4° |
| C13 | C14 | C15 | H38 | 174.7° | 61.7° |
| C13 | C12 | N1 | H30 | 116.3° | 121.0° |
| C13 | C12 | N1 | C9 | 128.8° | 118.3° |
| C12 | C13 | O5 | C26 | 86.0° | 135.2° |
| C12 | C13 | O5 | H20 | 111.8° | 120.0° |
| C13 | C12 | N1 | C8 | 60.6° | 61.7° |
| C13 | C12 | C11 | H31 | 131.3° | 100.0° |
| C13 | C12 | C11 | H32 | 9.8° | 23.3° |
| C12 | C13 | C14 | H35 | 77.4° | 56.6° |
| C12 | N1 | C9 | C8 | 170.5° | 180.0° |
| N1 | C12 | C13 | O5 | 60.9° | 61.1° |
| C12 | N1 | C8 | O1 | 18.4° | 0.0° |
| C12 | N1 | C8 | C7 | 149.9° | 180.0° |
| C12 | N1 | C9 | H18 | 134.6° | 94.7° |
| C12 | N1 | C9 | H19 | 103.5° | 143.0° |
| N1 | C12 | C13 | H20 | 51.4° | 58.9° |
| N1 | C12 | C11 | H31 | 94.5° | 140.5° |
| N1 | C12 | C11 | H32 | 144.0° | 96.2° |
| C9 | N1 | C8 | O1 | 151.0° | 180.0° |
| C9 | N1 | C8 | C7 | 40.7° | 0.0° |
| N1 | C9 | H18 | H19 | 122.8° | 122.3° |
| C9 | N1 | C12 | H30 | 114.8° | 120.6° |
| N1 | C9 | C10 | H33 | 88.6° | 155.1° |
| N1 | C9 | C10 | H34 | 149.9° | 81.1° |
| C26 | O5 | C13 | H20 | 162.2° | 15.1° |
| O5 | C26 | H27 | H28 | 120.0° | 120.0° |
| O5 | C26 | H27 | H29 | 120.0° | 120.0° |
| O5 | C26 | H28 | H29 | 120.0° | 120.0° |
| C13 | O5 | C26 | H27 | 180.0° | 54.0° |
| C13 | O5 | C26 | H28 | 60.0° | 174.0° |
| C13 | O5 | C26 | H29 | 60.0° | 66.0° |
| O5 | C13 | C12 | H30 | 177.6° | 177.8° |
| O5 | C13 | C14 | H35 | 61.8° | 63.4° |
| N1 | C8 | O1 | C7 | 168.0° | 180.0° |
| N1 | C8 | C7 | C6 | 127.0° | 171.2° |
| N1 | C8 | C7 | H15 | 6.6° | 68.8° |
| N1 | C8 | C7 | H16 | 112.6° | 51.2° |
| C8 | N1 | C9 | H18 | 55.0° | 85.3° |
| C8 | N1 | C9 | H19 | 66.9° | 37.0° |
| C8 | N1 | C12 | H30 | 55.7° | 59.4° |
| O1 | C8 | C7 | C6 | 41.4° | 8.8° |
| O1 | C8 | C7 | H15 | 161.7° | 111.2° |
| O1 | C8 | C7 | H16 | 79.1° | 128.8° |
| C8 | C7 | C6 | H15 | 120.4° | 120.0° |
| C8 | C7 | C6 | H16 | 120.4° | 120.0° |
| C8 | C7 | C6 | O6 | 86.3° | 71.3° |
| C8 | C7 | C6 | C5 | 135.0° | 168.7° |
| C8 | C7 | H15 | H16 | 118.7° | 120.0° |
| C8 | C7 | C6 | H17 | 23.3° | 48.7° |
| C7 | C6 | O6 | C5 | 143.0° | 120.0° |
| C7 | C6 | O6 | H17 | 109.0° | 120.0° |
| C7 | C6 | C5 | H17 | 111.9° | 120.0° |
| C7 | C6 | O6 | C27 | 101.6° | 90.9° |
| C7 | C6 | C5 | C3 | 5.8° | 59.4° |
| C7 | C6 | C5 | N3 | 142.5° | 179.4° |
| C6 | C7 | H15 | H16 | 118.7° | 120.0° |
| C7 | C6 | C5 | H39 | 114.3° | 60.5° |
| O6 | C6 | C5 | H17 | 108.8° | 120.0° |
| O6 | C6 | C5 | C3 | 145.1° | 60.6° |
| O6 | C6 | C5 | N3 | 3.1° | 59.4° |
| O6 | C6 | C7 | H15 | 34.2° | 168.7° |
| O6 | C6 | C7 | H16 | 153.3° | 48.7° |
| O6 | C6 | C5 | H39 | 106.4° | 179.4° |
| C6 | O6 | C27 | H52 | 180.0° | 49.1° |
| C6 | O6 | C27 | H53 | 60.0° | 70.9° |
| C6 | O6 | C27 | H54 | 60.0° | 169.1° |
| C5 | C6 | O6 | C27 | 115.4° | 149.0° |
| C6 | C5 | C3 | C4 | 37.1° | 76.9° |
| C6 | C5 | C3 | N3 | 148.0° | 120.0° |
| C6 | C5 | C3 | H39 | 108.5° | 119.9° |
| C6 | C5 | N3 | H39 | 103.0° | 120.0° |
| C6 | C5 | C3 | C2 | 102.6° | 163.0° |
| C6 | C5 | N3 | C28 | 85.6° | 52.1° |
| C6 | C5 | N3 | C29 | 93.2° | 128.0° |
| C5 | C6 | C7 | H15 | 104.6° | 48.6° |
| C5 | C6 | C7 | H16 | 14.6° | 71.3° |
| C6 | C5 | C3 | H42 | 149.3° | 43.1° |
| C27 | O6 | C6 | H17 | 7.4° | 29.1° |
| O6 | C27 | H52 | H53 | 120.0° | 120.0° |
| O6 | C27 | H52 | H54 | 120.0° | 120.0° |
| O6 | C27 | H53 | H54 | 120.0° | 120.0° |
| C4 | C3 | C5 | C2 | 139.8° | 120.0° |
| C4 | C3 | C5 | H42 | 112.2° | 120.0° |
| C4 | C3 | C5 | N3 | 110.9° | 163.1° |
| C4 | C3 | C2 | H42 | 108.1° | 120.0° |
| C4 | C3 | C2 | C1 | 123.1° | 165.1° |
| C3 | C4 | H11 | H12 | 120.0° | 120.0° |
| C3 | C4 | H11 | H13 | 120.0° | 120.0° |
| C3 | C4 | H12 | H13 | 120.0° | 120.0° |
| C4 | C3 | C5 | H39 | 145.6° | 43.0° |
| C4 | C3 | C2 | H43 | 2.5° | 45.1° |
| C4 | C3 | C2 | H44 | 116.2° | 74.9° |
| C3 | C5 | N3 | H39 | 103.4° | 120.0° |
| C5 | C3 | C2 | H42 | 107.8° | 120.0° |
| C5 | C3 | C2 | C1 | 92.8° | 74.9° |
| C3 | C5 | N3 | C28 | 120.8° | 67.9° |
| C3 | C5 | N3 | C29 | 60.3° | 112.0° |
| C5 | C3 | C4 | H11 | 180.0° | 78.8° |
| C5 | C3 | C4 | H12 | 60.0° | 161.2° |
| C5 | C3 | C4 | H13 | 60.0° | 41.2° |
| C3 | C5 | C6 | H17 | 106.1° | 179.4° |
| C5 | C3 | C2 | H43 | 146.6° | 165.2° |
| C5 | C3 | C2 | H44 | 27.9° | 45.2° |
| N3 | C5 | C3 | C2 | 109.4° | 43.0° |
| C5 | N3 | C28 | C29 | 179.1° | 180.0° |
| C5 | N3 | C29 | C30 | 5.4° | 179.9° |
| C5 | N3 | C29 | O7 | 176.6° | 0.0° |
| N3 | C5 | C6 | H17 | 105.6° | 60.6° |
| N3 | C5 | C3 | H42 | 1.3° | 76.9° |
| C5 | N3 | C28 | H49 | 180.0° | 90.0° |
| C5 | N3 | C28 | H50 | 60.0° | 29.9° |
| C5 | N3 | C28 | H51 | 60.0° | 150.0° |
| C3 | C2 | C1 | H43 | 120.6° | 120.0° |
| C3 | C2 | C1 | H44 | 120.7° | 120.1° |
| C2 | C3 | C4 | H11 | 40.1° | 41.3° |
| C2 | C3 | C4 | H12 | 160.2° | 78.8° |
| C2 | C3 | C4 | H13 | 79.9° | 161.2° |
| C2 | C3 | C5 | H39 | 5.9° | 77.0° |
| C3 | C2 | H43 | H44 | 117.9° | 120.0° |
| C3 | C2 | C1 | H45 | 180.0° | 154.1° |
| C3 | C2 | C1 | H46 | 60.0° | 85.9° |
| C3 | C2 | C1 | H47 | 60.0° | 34.1° |
| C1 | C2 | C3 | H42 | 15.0° | 45.1° |
| C1 | C2 | H43 | H44 | 117.9° | 120.0° |
| C2 | C1 | H45 | H46 | 120.0° | 120.0° |
| C2 | C1 | H45 | H47 | 120.0° | 120.1° |
| C2 | C1 | H46 | H47 | 120.0° | 120.0° |
| C32 | C31 | C30 | C33 | 128.7° | 120.0° |
| C32 | C31 | C30 | H48 | 115.4° | 120.0° |
| C32 | C31 | C33 | H48 | 114.5° | 120.0° |
| C32 | C31 | C30 | C29 | 59.8° | 60.0° |
| C32 | C31 | C30 | N4 | 175.7° | 60.0° |
| C32 | C31 | C33 | H3 | 180.0° | 60.0° |
| C32 | C31 | C33 | H4 | 60.0° | 60.0° |
| C32 | C31 | C33 | H5 | 60.0° | 180.0° |
| C31 | C32 | H8 | H9 | 120.0° | 120.0° |
| C31 | C32 | H8 | H10 | 120.0° | 120.0° |
| C31 | C32 | H9 | H10 | 120.0° | 120.0° |
| C32 | C31 | C30 | H40 | 62.5° | 180.0° |
| C28 | N3 | C29 | C30 | 175.9° | 0.0° |
| C28 | N3 | C29 | O7 | 2.2° | 180.0° |
| C28 | N3 | C5 | H39 | 17.4° | 172.1° |
| N3 | C28 | H49 | H50 | 120.0° | 120.0° |
| N3 | C28 | H49 | H51 | 120.0° | 120.0° |
| N3 | C28 | H50 | H51 | 120.0° | 120.1° |
| N3 | C29 | C30 | C31 | 116.9° | 60.0° |
| N3 | C29 | C30 | O7 | 178.1° | 179.9° |
| N3 | C29 | C30 | N4 | 123.4° | 180.0° |
| C29 | N3 | C5 | H39 | 163.7° | 7.9° |
| N3 | C29 | C30 | H40 | 5.3° | 60.0° |
| C29 | N3 | C28 | H49 | 0.9° | 90.0° |
| C29 | N3 | C28 | H50 | 120.9° | 150.0° |
| C29 | N3 | C28 | H51 | 119.1° | 30.0° |
| C30 | C31 | C33 | H48 | 115.8° | 120.0° |
| C31 | C30 | C29 | N4 | 119.7° | 120.0° |
| C31 | C30 | C29 | H40 | 122.2° | 120.0° |
| C31 | C30 | N4 | H40 | 121.0° | 120.0° |
| C31 | C30 | C29 | O7 | 65.0° | 120.0° |
| C31 | C30 | N4 | C34 | 126.0° | 85.0° |
| C30 | C31 | C33 | H3 | 50.3° | 60.0° |
| C30 | C31 | C33 | H4 | 69.7° | 180.0° |
| C30 | C31 | C33 | H5 | 170.3° | 60.0° |
| C30 | C31 | C32 | H8 | 180.0° | 60.0° |
| C30 | C31 | C32 | H9 | 60.0° | 180.0° |
| C30 | C31 | C32 | H10 | 60.0° | 60.0° |
| C31 | C30 | N4 | H41 | 54.0° | 95.0° |
| C33 | C31 | C30 | C29 | 68.9° | 180.0° |
| C33 | C31 | C30 | N4 | 47.0° | 60.0° |
| C31 | C33 | H3 | H4 | 120.0° | 120.0° |
| C31 | C33 | H3 | H5 | 120.0° | 120.0° |
| C31 | C33 | H4 | H5 | 120.0° | 120.0° |
| C33 | C31 | C32 | H8 | 49.5° | 180.0° |
| C33 | C31 | C32 | H9 | 70.5° | 60.0° |
| C33 | C31 | C32 | H10 | 169.5° | 60.0° |
| C33 | C31 | C30 | H40 | 168.8° | 60.0° |
| C29 | C30 | N4 | H40 | 117.3° | 120.0° |
| C29 | C30 | N4 | C34 | 112.3° | 155.1° |
| C29 | C30 | N4 | H41 | 67.7° | 25.0° |
| C29 | C30 | C31 | H48 | 175.2° | 60.0° |
| N4 | C30 | C29 | O7 | 54.7° | 0.1° |
| C30 | N4 | C34 | O8 | 31.1° | 0.0° |
| C30 | N4 | C34 | H41 | 180.0° | 180.0° |
| C30 | N4 | C34 | C35 | 146.2° | 180.0° |
| N4 | C30 | C31 | H48 | 68.9° | 180.0° |
| O7 | C29 | C30 | H40 | 172.8° | 120.0° |
| O8 | C34 | N4 | C35 | 177.3° | 180.0° |
| O8 | C34 | C35 | C36 | 84.2° | 25.0° |
| O8 | C34 | C35 | N5 | 30.7° | 142.6° |
| O8 | C34 | C35 | C39 | 156.2° | 96.2° |
| O8 | C34 | N4 | H41 | 148.9° | 180.0° |
| N4 | C34 | C35 | C36 | 93.2° | 155.0° |
| N4 | C34 | C35 | N5 | 151.9° | 37.4° |
| N4 | C34 | C35 | C39 | 26.4° | 83.8° |
| C34 | N4 | C30 | H40 | 5.0° | 35.0° |
| C34 | C35 | C36 | C37 | 93.9° | 120.6° |
| C34 | C35 | C36 | N5 | 120.6° | 119.3° |
| C34 | C35 | C36 | C39 | 119.6° | 121.3° |
| C34 | C35 | N5 | C39 | 125.5° | 121.3° |
| C34 | C35 | N5 | C38 | 111.0° | 144.7° |
| C34 | C35 | C36 | H1 | 147.0° | 1.6° |
| C34 | C35 | C36 | H2 | 25.1° | 120.5° |
| C34 | C35 | N5 | H23 | 129.2° | 94.8° |
| C35 | C34 | N4 | H41 | 33.8° | 0.1° |
| C34 | C35 | C39 | H55 | 180.0° | 61.2° |
| C34 | C35 | C39 | H56 | 60.0° | 58.8° |
| C34 | C35 | C39 | H57 | 60.0° | 178.7° |
| C36 | C37 | C38 | H6 | 118.6° | 118.4° |
| C36 | C37 | C38 | H7 | 118.6° | 118.4° |
| C37 | C36 | C35 | H1 | 119.0° | 118.9° |
| C37 | C36 | C35 | H2 | 119.0° | 119.0° |
| C37 | C36 | C35 | N5 | 26.6° | 1.3° |
| C37 | C36 | C35 | C39 | 146.5° | 118.1° |
| C36 | C37 | C38 | N5 | 37.0° | 37.4° |
| C37 | C36 | H1 | H2 | 122.8° | 122.2° |
| C36 | C37 | H6 | H7 | 123.8° | 123.3° |
| C36 | C37 | C38 | H58 | 156.6° | 155.9° |
| C36 | C37 | C38 | H59 | 82.5° | 81.1° |
| C38 | C37 | C36 | C35 | 38.1° | 21.9° |
| C37 | C38 | N5 | C35 | 20.9° | 39.2° |
| C37 | C38 | N5 | H58 | 119.6° | 118.5° |
| C37 | C38 | N5 | H59 | 119.5° | 118.5° |
| C38 | C37 | C36 | H1 | 80.9° | 140.9° |
| C38 | C37 | C36 | H2 | 157.1° | 97.0° |
| C38 | C37 | H6 | H7 | 123.9° | 123.2° |
| C37 | C38 | N5 | H23 | 140.6° | 159.7° |
| C37 | C38 | H58 | H59 | 121.2° | 123.1° |
| C36 | C35 | N5 | C39 | 119.8° | 119.4° |
| C36 | C35 | N5 | C38 | 3.8° | 25.4° |
| C35 | C36 | H1 | H2 | 122.8° | 122.1° |
| C35 | C36 | C37 | H6 | 80.6° | 96.4° |
| C35 | C36 | C37 | H7 | 156.8° | 140.3° |
| C36 | C35 | N5 | H23 | 116.0° | 145.9° |
| C36 | C35 | C39 | H55 | 63.8° | 60.0° |
| C36 | C35 | C39 | H56 | 56.3° | 180.0° |
| C36 | C35 | C39 | H57 | 176.3° | 60.1° |
| C35 | N5 | C38 | H23 | 119.7° | 120.5° |
| N5 | C35 | C36 | H1 | 92.4° | 117.7° |
| N5 | C35 | C36 | H2 | 145.7° | 120.2° |
| N5 | C35 | C39 | H55 | 52.8° | 177.6° |
| N5 | C35 | C39 | H56 | 172.9° | 62.4° |
| N5 | C35 | C39 | H57 | 67.2° | 57.5° |
| C35 | N5 | C38 | H58 | 140.5° | 157.7° |
| C35 | N5 | C38 | H59 | 98.7° | 79.3° |
| C39 | C35 | N5 | C38 | 123.5° | 94.0° |
| C39 | C35 | C36 | H1 | 27.4° | 122.9° |
| C39 | C35 | C36 | H2 | 94.5° | 0.9° |
| C39 | C35 | N5 | H23 | 3.8° | 26.5° |
| C35 | C39 | H55 | H56 | 120.0° | 120.0° |
| C35 | C39 | H55 | H57 | 120.0° | 120.1° |
| C35 | C39 | H56 | H57 | 120.0° | 120.0° |
| N5 | C38 | C37 | H6 | 81.6° | 80.9° |
| N5 | C38 | C37 | H7 | 155.7° | 155.8° |
| N5 | C38 | H58 | H59 | 121.3° | 123.0° |
| H1 | C36 | C37 | H6 | 160.4° | 22.6° |
| H1 | C36 | C37 | H7 | 37.7° | 100.8° |
| H2 | C36 | C37 | H6 | 38.5° | 144.7° |
| H2 | C36 | C37 | H7 | 84.2° | 21.4° |
| H3 | C33 | H4 | H5 | 120.0° | 120.0° |
| H3 | C33 | C31 | H48 | 65.5° | 180.0° |
| H4 | C33 | C31 | H48 | 174.4° | 60.0° |
| H5 | C33 | C31 | H48 | 54.5° | 60.0° |
| H6 | C37 | C38 | H58 | 38.0° | 37.5° |
| H6 | C37 | C38 | H59 | 158.8° | 160.6° |
| H7 | C37 | C38 | H58 | 84.7° | 85.7° |
| H7 | C37 | C38 | H59 | 36.1° | 37.4° |
| H8 | C32 | H9 | H10 | 120.0° | 120.0° |
| H8 | C32 | C31 | H48 | 64.9° | 60.0° |
| H9 | C32 | C31 | H48 | 175.2° | 60.0° |
| H10 | C32 | C31 | H48 | 55.1° | NaN° |
| H11 | C4 | H12 | H13 | 120.0° | 120.0° |
| H11 | C4 | C3 | H42 | 68.0° | 161.3° |
| H12 | C4 | C3 | H42 | 52.0° | 41.2° |
| H13 | C4 | C3 | H42 | 172.0° | 78.8° |
| H14 | N2 | C17 | H60 | 143.7° | 145.0° |
| H15 | C7 | C6 | H17 | 143.7° | 71.3° |
| H16 | C7 | C6 | H17 | 97.1° | 168.7° |
| H17 | C6 | C5 | H39 | 2.4° | 59.4° |
| H18 | C9 | C10 | H33 | 30.5° | 36.2° |
| H18 | C9 | C10 | H34 | 91.1° | 160.0° |
| H19 | C9 | C10 | H33 | 152.4° | 86.1° |
| H19 | C9 | C10 | H34 | 30.9° | 37.7° |
| H20 | C13 | C12 | H30 | 65.2° | 62.2° |
| H20 | C13 | C14 | H35 | 172.0° | 176.6° |
| H21 | C20 | C21 | H22 | 0.8° | 0.0° |
| H22 | C21 | C22 | H61 | 0.5° | 0.0° |
| H23 | N5 | C38 | H58 | 99.8° | 81.9° |
| H23 | N5 | C38 | H59 | 21.1° | 41.2° |
| H25 | C18 | C17 | H60 | 106.8° | 175.0° |
| H26 | C18 | C17 | H60 | 134.7° | 65.0° |
| H27 | C26 | H28 | H29 | 120.0° | 120.0° |
| H30 | C12 | C11 | H31 | 15.2° | 21.0° |
| H30 | C12 | C11 | H32 | 106.3° | 144.4° |
| H31 | C11 | C10 | H33 | 156.3° | 88.0° |
| H31 | C11 | C10 | H34 | 34.8° | 35.8° |
| H32 | C11 | C10 | H33 | 34.8° | 35.2° |
| H32 | C11 | C10 | H34 | 86.7° | 159.0° |
| H35 | C14 | C15 | H36 | 64.8° | 58.4° |
| H35 | C14 | C15 | H37 | 175.2° | 61.6° |
| H35 | C14 | C15 | H38 | 55.2° | 178.4° |
| H36 | C15 | H37 | H38 | 120.0° | 120.1° |
| H39 | C5 | C3 | H42 | 102.2° | 163.0° |
| H40 | C30 | N4 | H41 | 175.0° | 145.0° |
| H40 | C30 | C31 | H48 | 52.9° | 60.0° |
| H42 | C3 | C2 | H43 | 105.7° | 74.9° |
| H42 | C3 | C2 | H44 | 135.6° | 165.1° |
| H43 | C2 | C1 | H45 | 59.3° | 34.2° |
| H43 | C2 | C1 | H46 | 179.4° | 154.1° |
| H43 | C2 | C1 | H47 | 60.7° | 85.9° |
| H44 | C2 | C1 | H45 | 59.3° | 85.8° |
| H44 | C2 | C1 | H46 | 60.7° | 34.2° |
| H44 | C2 | C1 | H47 | 179.3° | 154.1° |
| H45 | C1 | H46 | H47 | 120.0° | 120.0° |
| H49 | C28 | H50 | H51 | 120.0° | 119.9° |
| H52 | C27 | H53 | H54 | 120.0° | 120.0° |
| H55 | C39 | H56 | H57 | 119.9° | 120.0° |
| H61 | C22 | C23 | H62 | 0.8° | 0.0° |
| H62 | C23 | C24 | H63 | 0.2° | 0.0° |
