A1DHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N54 | C55 | doub | 1.32Å | 1.33Å | Aromatic |
| N54 | C53 | sing | 1.32Å | 1.33Å | Aromatic |
| C55 | C50 | sing | 1.39Å | 1.39Å | Aromatic |
| C53 | C52 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C50 | C02 | sing | 1.48Å | 1.52Å | |
| C50 | N51 | doub | 1.33Å | 1.33Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C52 | N51 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C06 | sing | 1.53Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C04 | C12 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | N13 | sing | 1.35Å | 1.45Å | |
| C12 | O49 | doub | 1.21Å | 1.18Å | |
| N13 | C14 | sing | 1.47Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C14 | C21 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| O48 | C21 | doub | 1.21Å | 1.18Å | |
| C21 | N22 | sing | 1.35Å | 1.47Å | |
| N22 | C23 | sing | 1.47Å | 1.55Å | |
| N22 | C26 | sing | 1.47Å | 1.54Å | |
| C23 | C24 | sing | 1.55Å | 1.38Å | |
| O47 | C27 | doub | 1.21Å | 1.18Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C25 | sing | 1.54Å | 1.37Å | |
| C27 | N28 | sing | 1.35Å | 1.46Å | |
| C24 | C25 | sing | 1.55Å | 1.62Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| N28 | C29 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C29 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | N34 | sing | 1.35Å | 1.45Å | |
| C33 | O46 | doub | 1.21Å | 1.18Å | |
| N34 | C35 | sing | 1.47Å | 1.45Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C43 | sing | 1.51Å | 1.52Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C43 | O44 | doub | 1.21Å | 1.26Å | |
| C43 | O45 | sing | 1.34Å | 1.26Å | |
| C42 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | H1 | sing | 1.08Å | 1.08Å | |
| C53 | H2 | sing | 1.08Å | 1.08Å | |
| C55 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| N28 | H20 | sing | 0.97Å | 1.00Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| O45 | H33 | sing | 0.97Å | 0.95Å | |
| C04 | H34 | sing | 1.09Å | 1.10Å | |
| C05 | H35 | sing | 1.09Å | 1.10Å | |
| C05 | H36 | sing | 1.09Å | 1.10Å | |
| C06 | H37 | sing | 1.09Å | 1.10Å | |
| C07 | H38 | sing | 1.09Å | 1.10Å | |
| C07 | H39 | sing | 1.09Å | 1.10Å | |
| C08 | H40 | sing | 1.09Å | 1.10Å | |
| C08 | H41 | sing | 1.09Å | 1.10Å | |
| C09 | H42 | sing | 1.09Å | 1.10Å | |
| C09 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H44 | sing | 1.09Å | 1.10Å | |
| C11 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H46 | sing | 1.09Å | 1.10Å | |
| C16 | H47 | sing | 1.09Å | 1.10Å | |
| C16 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.08Å | 1.08Å | |
| N03 | H55 | sing | 0.97Å | 1.00Å | |
| N13 | H56 | sing | 0.97Å | 1.00Å | |
| N34 | H57 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C55 | N54 | C53 | 120.6° | 120.0° |
| N54 | C55 | C50 | 118.5° | 119.9° |
| N54 | C55 | H3 | 120.7° | 120.1° |
| N54 | C53 | C52 | 120.8° | 120.2° |
| N54 | C53 | H2 | 119.6° | 119.9° |
| C55 | C50 | C02 | 120.8° | 120.1° |
| C55 | C50 | N51 | 120.8° | 119.8° |
| C50 | C55 | H3 | 120.8° | 120.1° |
| C53 | C52 | N51 | 118.7° | 120.1° |
| C53 | C52 | H1 | 120.6° | 120.0° |
| C52 | C53 | H2 | 119.6° | 119.9° |
| C10 | C09 | C08 | 108.6° | 109.5° |
| C09 | C10 | C11 | 113.5° | 109.5° |
| C09 | C10 | H4 | 108.5° | 109.5° |
| C09 | C10 | H5 | 108.4° | 109.5° |
| C10 | C09 | H42 | 109.7° | 109.5° |
| C10 | C09 | H43 | 109.7° | 109.5° |
| C09 | C08 | C07 | 113.8° | 109.5° |
| C09 | C08 | H40 | 108.4° | 109.5° |
| C09 | C08 | H41 | 108.4° | 109.5° |
| C08 | C09 | H42 | 109.7° | 109.5° |
| C08 | C09 | H43 | 109.7° | 109.4° |
| C10 | C11 | C06 | 117.7° | 109.4° |
| C11 | C10 | H4 | 108.4° | 109.4° |
| C11 | C10 | H5 | 108.5° | 109.5° |
| C10 | C11 | H44 | 107.4° | 109.4° |
| C10 | C11 | H45 | 107.4° | 109.4° |
| C02 | C50 | N51 | 118.3° | 120.1° |
| C50 | C02 | O01 | 121.0° | 120.0° |
| C50 | C02 | N03 | 118.2° | 120.0° |
| C50 | N51 | C52 | 120.6° | 119.9° |
| O01 | C02 | N03 | 120.8° | 120.0° |
| N51 | C52 | H1 | 120.7° | 119.9° |
| C11 | C06 | C07 | 116.4° | 109.5° |
| C11 | C06 | C05 | 109.6° | 109.4° |
| C11 | C06 | H37 | 106.9° | 109.5° |
| C06 | C11 | H44 | 107.4° | 109.5° |
| C06 | C11 | H45 | 107.4° | 109.5° |
| C02 | N03 | C04 | 119.8° | 120.0° |
| C02 | N03 | H55 | 120.1° | 120.1° |
| C08 | C07 | C06 | 117.0° | 109.4° |
| C08 | C07 | H38 | 107.6° | 109.5° |
| C08 | C07 | H39 | 107.6° | 109.5° |
| C07 | C08 | H40 | 108.4° | 109.5° |
| C07 | C08 | H41 | 108.4° | 109.4° |
| C07 | C06 | C05 | 109.4° | 109.5° |
| C07 | C06 | H37 | 107.0° | 109.5° |
| C06 | C07 | H38 | 107.5° | 109.4° |
| C06 | C07 | H39 | 107.6° | 109.5° |
| C06 | C05 | C04 | 110.9° | 109.5° |
| C06 | C05 | H35 | 109.1° | 109.5° |
| C06 | C05 | H36 | 109.1° | 109.5° |
| C05 | C06 | H37 | 107.0° | 109.5° |
| N03 | C04 | C05 | 110.7° | 109.5° |
| N03 | C04 | C12 | 106.7° | 109.5° |
| N03 | C04 | H34 | 109.6° | 109.4° |
| C04 | N03 | H55 | 120.1° | 119.9° |
| C05 | C04 | C12 | 112.6° | 109.5° |
| C05 | C04 | H34 | 108.6° | 109.4° |
| C04 | C05 | H35 | 109.1° | 109.4° |
| C04 | C05 | H36 | 109.1° | 109.5° |
| C04 | C12 | N13 | 118.9° | 120.0° |
| C04 | C12 | O49 | 120.7° | 119.9° |
| C12 | C04 | H34 | 108.6° | 109.4° |
| C16 | C17 | C18 | 111.9° | 109.5° |
| C17 | C16 | C15 | 112.7° | 109.5° |
| C16 | C17 | H10 | 108.8° | 109.5° |
| C16 | C17 | H11 | 108.9° | 109.5° |
| C17 | C16 | H47 | 108.7° | 109.5° |
| C17 | C16 | H48 | 108.7° | 109.5° |
| C17 | C18 | C19 | 111.4° | 109.5° |
| C17 | C18 | H7 | 109.0° | 109.5° |
| C17 | C18 | H8 | 109.0° | 109.5° |
| C18 | C17 | H10 | 108.9° | 109.5° |
| C18 | C17 | H11 | 108.9° | 109.5° |
| C16 | C15 | C14 | 107.7° | 109.5° |
| C16 | C15 | C20 | 112.9° | 109.4° |
| C16 | C15 | H46 | 108.9° | 109.5° |
| C15 | C16 | H47 | 108.7° | 109.4° |
| C15 | C16 | H48 | 108.7° | 109.5° |
| N13 | C12 | O49 | 120.4° | 120.1° |
| C12 | N13 | C14 | 119.8° | 120.0° |
| C12 | N13 | H56 | 120.1° | 120.1° |
| N13 | C14 | C15 | 106.6° | 109.5° |
| N13 | C14 | C21 | 111.4° | 109.5° |
| N13 | C14 | H6 | 110.6° | 109.5° |
| C14 | N13 | H56 | 120.1° | 120.0° |
| C18 | C19 | C20 | 111.8° | 109.4° |
| C19 | C18 | H7 | 109.0° | 109.5° |
| C19 | C18 | H8 | 109.0° | 109.4° |
| C18 | C19 | H12 | 108.9° | 109.5° |
| C18 | C19 | H13 | 108.9° | 109.5° |
| C14 | C15 | C20 | 109.3° | 109.5° |
| C15 | C14 | C21 | 109.5° | 109.4° |
| C15 | C14 | H6 | 109.5° | 109.4° |
| C14 | C15 | H46 | 109.0° | 109.5° |
| C15 | C20 | C19 | 111.7° | 109.5° |
| C15 | C20 | H14 | 108.9° | 109.5° |
| C15 | C20 | H15 | 108.9° | 109.5° |
| C20 | C15 | H46 | 109.0° | 109.5° |
| C14 | C21 | O48 | 120.2° | 120.0° |
| C14 | C21 | N22 | 119.4° | 120.0° |
| C21 | C14 | H6 | 109.2° | 109.5° |
| C20 | C19 | H12 | 108.9° | 109.5° |
| C20 | C19 | H13 | 108.9° | 109.4° |
| C19 | C20 | H14 | 108.9° | 109.4° |
| C19 | C20 | H15 | 108.9° | 109.5° |
| O48 | C21 | N22 | 120.3° | 120.0° |
| C21 | N22 | C23 | 126.7° | 125.6° |
| C21 | N22 | C26 | 126.4° | 125.7° |
| C23 | N22 | C26 | 107.0° | 108.7° |
| N22 | C23 | C24 | 105.7° | 104.9° |
| N22 | C23 | H16 | 110.4° | 110.3° |
| N22 | C23 | H17 | 110.4° | 110.4° |
| N22 | C26 | C27 | 108.0° | 109.9° |
| N22 | C26 | C25 | 104.7° | 107.3° |
| N22 | C26 | H9 | 110.3° | 109.8° |
| C23 | C24 | C25 | 105.7° | 101.7° |
| C24 | C23 | H16 | 110.4° | 110.4° |
| C24 | C23 | H17 | 110.4° | 110.3° |
| C23 | C24 | H18 | 110.4° | 111.1° |
| C23 | C24 | H19 | 110.4° | 110.9° |
| O47 | C27 | C26 | 119.5° | 120.0° |
| O47 | C27 | N28 | 119.6° | 120.0° |
| C27 | C26 | C25 | 110.3° | 109.9° |
| C26 | C27 | N28 | 120.9° | 120.0° |
| C27 | C26 | H9 | 110.4° | 109.9° |
| C26 | C25 | C24 | 104.8° | 102.9° |
| C25 | C26 | H9 | 112.9° | 110.0° |
| C26 | C25 | H49 | 110.6° | 110.7° |
| C26 | C25 | H50 | 110.6° | 110.7° |
| C27 | N28 | C29 | 118.7° | 120.0° |
| C27 | N28 | H20 | 120.7° | 120.0° |
| C25 | C24 | H18 | 110.4° | 111.0° |
| C25 | C24 | H19 | 110.4° | 111.0° |
| C24 | C25 | H49 | 110.6° | 110.7° |
| C24 | C25 | H50 | 110.6° | 110.8° |
| C31 | C30 | C29 | 112.2° | 109.5° |
| C30 | C31 | C32 | 112.2° | 109.5° |
| C30 | C31 | H22 | 108.8° | 109.5° |
| C30 | C31 | H23 | 108.8° | 109.5° |
| C31 | C30 | H24 | 108.8° | 109.5° |
| C31 | C30 | H25 | 108.8° | 109.5° |
| C30 | C29 | N28 | 109.3° | 109.5° |
| C30 | C29 | C33 | 107.4° | 109.4° |
| C30 | C29 | H21 | 109.5° | 109.5° |
| C29 | C30 | H24 | 108.8° | 109.5° |
| C29 | C30 | H25 | 108.8° | 109.5° |
| N28 | C29 | C33 | 110.8° | 109.5° |
| C29 | N28 | H20 | 120.6° | 120.0° |
| N28 | C29 | H21 | 110.5° | 109.5° |
| C32 | C31 | H22 | 108.8° | 109.5° |
| C32 | C31 | H23 | 108.8° | 109.5° |
| C31 | C32 | H51 | 109.5° | 109.5° |
| C31 | C32 | H52 | 109.5° | 109.5° |
| C31 | C32 | H53 | 109.5° | 109.5° |
| C29 | C33 | N34 | 117.9° | 120.0° |
| C29 | C33 | O46 | 121.0° | 119.9° |
| C33 | C29 | H21 | 109.4° | 109.4° |
| N34 | C33 | O46 | 121.1° | 120.1° |
| C33 | N34 | C35 | 121.8° | 120.0° |
| C33 | N34 | H57 | 119.1° | 120.1° |
| N34 | C35 | C36 | 108.2° | 109.5° |
| N34 | C35 | C43 | 107.8° | 109.4° |
| N34 | C35 | H26 | 111.2° | 109.4° |
| C35 | N34 | H57 | 119.1° | 119.9° |
| C36 | C35 | C43 | 109.2° | 109.5° |
| C35 | C36 | C37 | 113.8° | 109.5° |
| C36 | C35 | H26 | 110.2° | 109.5° |
| C35 | C36 | H27 | 108.4° | 109.5° |
| C35 | C36 | H28 | 108.4° | 109.5° |
| C35 | C43 | O44 | 119.9° | 120.0° |
| C35 | C43 | O45 | 120.1° | 120.0° |
| C43 | C35 | H26 | 110.2° | 109.5° |
| C36 | C37 | C42 | 120.2° | 120.0° |
| C36 | C37 | C38 | 119.5° | 119.9° |
| C37 | C36 | H27 | 108.4° | 109.5° |
| C37 | C36 | H28 | 108.4° | 109.5° |
| O44 | C43 | O45 | 120.0° | 120.0° |
| C43 | O45 | H33 | 109.5° | 117.0° |
| C37 | C42 | C41 | 119.8° | 120.0° |
| C42 | C37 | C38 | 120.3° | 120.0° |
| C37 | C42 | H54 | 120.1° | 120.0° |
| C42 | C41 | C40 | 119.9° | 120.0° |
| C42 | C41 | H32 | 120.1° | 120.0° |
| C41 | C42 | H54 | 120.1° | 120.0° |
| C37 | C38 | C39 | 119.9° | 120.0° |
| C37 | C38 | H29 | 120.0° | 120.0° |
| C41 | C40 | C39 | 120.3° | 120.0° |
| C41 | C40 | H31 | 119.9° | 120.0° |
| C40 | C41 | H32 | 120.0° | 119.9° |
| C38 | C39 | C40 | 119.8° | 120.0° |
| C39 | C38 | H29 | 120.1° | 120.0° |
| C38 | C39 | H30 | 120.1° | 120.1° |
| C40 | C39 | H30 | 120.1° | 119.9° |
| C39 | C40 | H31 | 119.8° | 120.0° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 110.4° |
| H18 | C24 | H19 | 109.4° | 110.8° |
| H22 | C31 | H23 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.4° |
| H35 | C05 | H36 | 109.5° | 109.4° |
| H38 | C07 | H39 | 109.5° | 109.5° |
| H40 | C08 | H41 | 109.5° | 109.5° |
| H42 | C09 | H43 | 109.4° | 109.5° |
| H44 | C11 | H45 | 109.5° | 109.5° |
| H47 | C16 | H48 | 109.5° | 109.4° |
| H49 | C25 | H50 | 109.4° | 110.7° |
| H51 | C32 | H52 | 109.4° | 109.4° |
| H51 | C32 | H53 | 109.5° | 109.5° |
| H52 | C32 | H53 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N54 | C55 | C50 | H3 | 180.0° | 180.0° |
| C55 | N54 | C53 | C52 | 0.0° | 0.3° |
| N54 | C55 | C50 | C02 | 179.8° | 179.9° |
| N54 | C55 | C50 | N51 | 0.2° | 0.2° |
| C55 | N54 | C53 | H2 | 180.0° | 180.0° |
| C53 | N54 | C55 | C50 | 0.1° | 0.1° |
| N54 | C53 | C52 | H2 | 180.0° | 179.7° |
| N54 | C53 | C52 | N51 | 0.1° | 0.3° |
| N54 | C53 | C52 | H1 | 179.9° | 179.7° |
| C53 | N54 | C55 | H3 | 179.9° | 180.0° |
| C55 | C50 | C02 | N51 | 179.6° | 179.7° |
| C55 | C50 | C02 | O01 | 17.3° | 0.3° |
| C55 | C50 | N51 | C52 | 0.3° | 0.3° |
| C55 | C50 | C02 | N03 | 163.0° | 179.7° |
| C53 | C52 | N51 | C50 | 0.2° | 0.1° |
| C53 | C52 | N51 | H1 | 180.0° | 179.9° |
| C10 | C09 | C08 | H42 | 119.9° | 120.1° |
| C10 | C09 | C08 | H43 | 119.9° | 120.0° |
| C09 | C10 | C11 | H4 | 120.6° | 120.0° |
| C09 | C10 | C11 | H5 | 120.6° | 120.0° |
| C09 | C10 | C11 | C06 | 17.8° | 60.0° |
| C10 | C09 | C08 | C07 | 59.4° | 60.0° |
| C09 | C10 | H4 | H5 | 118.1° | 120.0° |
| C10 | C09 | C08 | H40 | 61.2° | 60.0° |
| C10 | C09 | C08 | H41 | 180.0° | 180.0° |
| C10 | C09 | H42 | H43 | 120.4° | 120.0° |
| C09 | C10 | C11 | H44 | 103.4° | 180.0° |
| C09 | C10 | C11 | H45 | 139.0° | 60.0° |
| C08 | C09 | C10 | C11 | 57.7° | 60.0° |
| C09 | C08 | C07 | H40 | 120.6° | 120.0° |
| C09 | C08 | C07 | H41 | 120.6° | 120.0° |
| C09 | C08 | C07 | C06 | 20.5° | 60.0° |
| C08 | C09 | C10 | H4 | 178.3° | 60.0° |
| C08 | C09 | C10 | H5 | 62.9° | 180.0° |
| C09 | C08 | C07 | H38 | 141.6° | 180.0° |
| C09 | C08 | C07 | H39 | 100.6° | 60.0° |
| C09 | C08 | H40 | H41 | 118.0° | 120.0° |
| C08 | C09 | H42 | H43 | 120.4° | 119.9° |
| C10 | C11 | C06 | H44 | 121.2° | 120.0° |
| C10 | C11 | C06 | H45 | 121.2° | 120.0° |
| C10 | C11 | C06 | C07 | 21.5° | 60.0° |
| C10 | C11 | C06 | C05 | 146.2° | 180.0° |
| C11 | C10 | H4 | H5 | 118.1° | 120.0° |
| C10 | C11 | C06 | H37 | 98.0° | 60.0° |
| C11 | C10 | C09 | H42 | 177.6° | 180.0° |
| C11 | C10 | C09 | H43 | 62.2° | 60.0° |
| C10 | C11 | H44 | H45 | 116.3° | 120.0° |
| C50 | C02 | O01 | N03 | 179.7° | 179.9° |
| C02 | C50 | N51 | C52 | 179.9° | 180.0° |
| C50 | C02 | N03 | C04 | 179.2° | 179.9° |
| C02 | C50 | C55 | H3 | 0.2° | 0.0° |
| C50 | C02 | N03 | H55 | 0.8° | 0.0° |
| N51 | C50 | C02 | O01 | 162.3° | 180.0° |
| N51 | C50 | C02 | N03 | 17.4° | 0.0° |
| C50 | N51 | C52 | H1 | 179.8° | 180.0° |
| N51 | C50 | C55 | H3 | 179.8° | 179.7° |
| O01 | C02 | N03 | C04 | 0.5° | 0.0° |
| O01 | C02 | N03 | H55 | 179.5° | 179.9° |
| N51 | C52 | C53 | H2 | 179.9° | 179.9° |
| C11 | C06 | C07 | C08 | 20.0° | 60.0° |
| C11 | C06 | C07 | C05 | 124.9° | 119.9° |
| C11 | C06 | C07 | H37 | 119.5° | 120.0° |
| C11 | C06 | C05 | H37 | 115.6° | 120.0° |
| C11 | C06 | C05 | C04 | 56.2° | 65.0° |
| C06 | C11 | C10 | H4 | 138.4° | 60.0° |
| C06 | C11 | C10 | H5 | 102.8° | 180.0° |
| C11 | C06 | C05 | H35 | 64.1° | 175.0° |
| C11 | C06 | C05 | H36 | 176.4° | 55.0° |
| C11 | C06 | C07 | H38 | 101.1° | 180.0° |
| C11 | C06 | C07 | H39 | 141.1° | 60.0° |
| C06 | C11 | H44 | H45 | 116.3° | 120.1° |
| C02 | N03 | C04 | H55 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 124.4° | 85.0° |
| C02 | N03 | C04 | C12 | 112.7° | 155.0° |
| C02 | N03 | C04 | H34 | 4.7° | 35.0° |
| C08 | C07 | C06 | H38 | 121.1° | 119.9° |
| C08 | C07 | C06 | H39 | 121.1° | 120.0° |
| C08 | C07 | C06 | C05 | 144.9° | 180.0° |
| C08 | C07 | C06 | H37 | 99.5° | 60.0° |
| C08 | C07 | H38 | H39 | 116.6° | 120.0° |
| C07 | C08 | H40 | H41 | 118.1° | 120.0° |
| C07 | C08 | C09 | H42 | 179.3° | 179.9° |
| C07 | C08 | C09 | H43 | 60.5° | 60.0° |
| C07 | C06 | C05 | H37 | 115.6° | 120.0° |
| C07 | C06 | C05 | C04 | 175.1° | 175.0° |
| C07 | C06 | C05 | H35 | 64.7° | 55.1° |
| C07 | C06 | C05 | H36 | 54.8° | 64.9° |
| C06 | C07 | H38 | H39 | 116.6° | 120.0° |
| C06 | C07 | C08 | H40 | 100.1° | 60.0° |
| C06 | C07 | C08 | H41 | 141.1° | 180.0° |
| C07 | C06 | C11 | H44 | 142.6° | 180.0° |
| C07 | C06 | C11 | H45 | 99.7° | 59.9° |
| C06 | C05 | C04 | N03 | 58.6° | 64.9° |
| C06 | C05 | C04 | H35 | 120.2° | 120.0° |
| C06 | C05 | C04 | H36 | 120.2° | 120.1° |
| C06 | C05 | C04 | C12 | 178.0° | 175.0° |
| C06 | C05 | C04 | H34 | 61.7° | 55.0° |
| C06 | C05 | H35 | H36 | 119.3° | 120.1° |
| C05 | C06 | C07 | H38 | 23.8° | 60.1° |
| C05 | C06 | C07 | H39 | 94.0° | 60.0° |
| C05 | C06 | C11 | H44 | 92.6° | 60.0° |
| C05 | C06 | C11 | H45 | 25.1° | 60.0° |
| N03 | C04 | C05 | C12 | 119.3° | 120.1° |
| N03 | C04 | C05 | H34 | 120.4° | 120.0° |
| N03 | C04 | C12 | H34 | 118.0° | 120.0° |
| N03 | C04 | C12 | N13 | 128.6° | 180.0° |
| N03 | C04 | C12 | O49 | 50.0° | 0.1° |
| N03 | C04 | C05 | H35 | 178.9° | 55.0° |
| N03 | C04 | C05 | H36 | 61.6° | 175.0° |
| C05 | C04 | C12 | H34 | 120.3° | 119.9° |
| C05 | C04 | C12 | N13 | 109.8° | 59.9° |
| C05 | C04 | C12 | O49 | 71.6° | 120.0° |
| C04 | C05 | H35 | H36 | 119.3° | 120.0° |
| C04 | C05 | C06 | H37 | 59.5° | 55.0° |
| C05 | C04 | N03 | H55 | 55.6° | 95.0° |
| C04 | C12 | N13 | O49 | 178.6° | 179.9° |
| C04 | C12 | N13 | C14 | 178.7° | 179.9° |
| C12 | C04 | C05 | H35 | 61.8° | 65.0° |
| C12 | C04 | C05 | H36 | 57.7° | 54.9° |
| C12 | C04 | N03 | H55 | 67.3° | 25.1° |
| C04 | C12 | N13 | H56 | 1.3° | 0.0° |
| C16 | C17 | C18 | H10 | 120.4° | 120.0° |
| C16 | C17 | C18 | H11 | 120.4° | 120.0° |
| C17 | C16 | C15 | H47 | 120.5° | 120.0° |
| C17 | C16 | C15 | H48 | 120.5° | 120.0° |
| C16 | C17 | C18 | C19 | 54.4° | 60.0° |
| C17 | C16 | C15 | C14 | 171.2° | 180.0° |
| C17 | C16 | C15 | C20 | 50.5° | 60.0° |
| C16 | C17 | C18 | H7 | 65.9° | 60.0° |
| C16 | C17 | C18 | H8 | 174.7° | 180.0° |
| C16 | C17 | H10 | H11 | 118.9° | 120.0° |
| C17 | C16 | C15 | H46 | 70.7° | 59.9° |
| C17 | C16 | H47 | H48 | 118.5° | 119.9° |
| C18 | C17 | C16 | C15 | 51.8° | 60.0° |
| C17 | C18 | C19 | H7 | 120.3° | 120.0° |
| C17 | C18 | C19 | H8 | 120.3° | 120.0° |
| C17 | C18 | C19 | C20 | 55.8° | 60.0° |
| C17 | C18 | H7 | H8 | 119.1° | 120.0° |
| C18 | C17 | H10 | H11 | 118.9° | 120.0° |
| C17 | C18 | C19 | H12 | 176.1° | 180.0° |
| C17 | C18 | C19 | H13 | 64.6° | 59.9° |
| C18 | C17 | C16 | H47 | 172.3° | 180.0° |
| C18 | C17 | C16 | H48 | 68.7° | 60.1° |
| C16 | C15 | C14 | N13 | 56.7° | 60.0° |
| C16 | C15 | C14 | C20 | 123.0° | 119.9° |
| C16 | C15 | C14 | H46 | 118.0° | 120.0° |
| C16 | C15 | C20 | H46 | 121.1° | 120.0° |
| C16 | C15 | C14 | C21 | 177.4° | 60.0° |
| C16 | C15 | C20 | C19 | 51.4° | 60.0° |
| C16 | C15 | C14 | H6 | 62.9° | 180.0° |
| C15 | C16 | C17 | H10 | 172.1° | 180.0° |
| C15 | C16 | C17 | H11 | 68.6° | 59.9° |
| C16 | C15 | C20 | H14 | 171.7° | 180.0° |
| C16 | C15 | C20 | H15 | 68.9° | 60.0° |
| C15 | C16 | H47 | H48 | 118.6° | 120.0° |
| C12 | N13 | C14 | H56 | 180.0° | 180.0° |
| C12 | N13 | C14 | C15 | 139.6° | 85.0° |
| C12 | N13 | C14 | C21 | 100.9° | 155.0° |
| C12 | N13 | C14 | H6 | 20.7° | 35.0° |
| N13 | C12 | C04 | H34 | 10.6° | 60.0° |
| O49 | C12 | N13 | C14 | 0.1° | 0.0° |
| O49 | C12 | C04 | H34 | 168.1° | 120.1° |
| O49 | C12 | N13 | H56 | 180.0° | 180.0° |
| N13 | C14 | C15 | C21 | 120.7° | 120.0° |
| N13 | C14 | C15 | H6 | 119.6° | 120.0° |
| N13 | C14 | C15 | C20 | 179.7° | 60.0° |
| N13 | C14 | C21 | H6 | 122.4° | 120.1° |
| N13 | C14 | C21 | O48 | 50.0° | 0.1° |
| N13 | C14 | C21 | N22 | 130.5° | 180.0° |
| N13 | C14 | C15 | H46 | 61.3° | 180.0° |
| C18 | C19 | C20 | C15 | 54.1° | 60.0° |
| C18 | C19 | C20 | H12 | 120.4° | 120.0° |
| C18 | C19 | C20 | H13 | 120.3° | 120.0° |
| C19 | C18 | H7 | H8 | 119.1° | 120.0° |
| C19 | C18 | C17 | H10 | 174.7° | 180.0° |
| C19 | C18 | C17 | H11 | 66.0° | 60.0° |
| C18 | C19 | H12 | H13 | 118.9° | 120.1° |
| C18 | C19 | C20 | H14 | 174.4° | 180.0° |
| C18 | C19 | C20 | H15 | 66.2° | 60.0° |
| C14 | C15 | C20 | H46 | 119.0° | 120.1° |
| C15 | C14 | C21 | H6 | 119.9° | 120.0° |
| C14 | C15 | C20 | C19 | 171.3° | 180.0° |
| C15 | C14 | C21 | O48 | 67.7° | 120.1° |
| C15 | C14 | C21 | N22 | 111.8° | 60.1° |
| C14 | C15 | C20 | H14 | 68.4° | 60.0° |
| C14 | C15 | C20 | H15 | 51.0° | 60.0° |
| C14 | C15 | C16 | H47 | 68.3° | 60.0° |
| C14 | C15 | C16 | H48 | 50.7° | 60.0° |
| C15 | C14 | N13 | H56 | 40.4° | 95.0° |
| C20 | C15 | C14 | C21 | 59.6° | 180.0° |
| C15 | C20 | C19 | H14 | 120.3° | 120.0° |
| C15 | C20 | C19 | H15 | 120.3° | 120.0° |
| C20 | C15 | C14 | H6 | 60.1° | 60.0° |
| C15 | C20 | C19 | H12 | 174.4° | 180.0° |
| C15 | C20 | C19 | H13 | 66.3° | 60.0° |
| C15 | C20 | H14 | H15 | 119.0° | 120.0° |
| C20 | C15 | C16 | H47 | 171.0° | 180.0° |
| C20 | C15 | C16 | H48 | 70.0° | 60.0° |
| C14 | C21 | O48 | N22 | 179.4° | 179.9° |
| C14 | C21 | N22 | C23 | 0.2° | 0.1° |
| C14 | C21 | N22 | C26 | 179.3° | 179.7° |
| C21 | C14 | C15 | H46 | 59.4° | 60.0° |
| C21 | C14 | N13 | H56 | 79.1° | 24.9° |
| C20 | C19 | C18 | H7 | 64.5° | 60.0° |
| C20 | C19 | C18 | H8 | 176.1° | 180.0° |
| C20 | C19 | H12 | H13 | 118.9° | 120.0° |
| C19 | C20 | H14 | H15 | 119.0° | 120.0° |
| C19 | C20 | C15 | H46 | 69.7° | 60.0° |
| O48 | C21 | N22 | C23 | 179.6° | 180.0° |
| O48 | C21 | N22 | C26 | 0.1° | 0.2° |
| O48 | C21 | C14 | H6 | 172.5° | 120.0° |
| C21 | N22 | C23 | C26 | 179.6° | 179.8° |
| C21 | N22 | C23 | C24 | 175.8° | 156.0° |
| C21 | N22 | C26 | C27 | 81.6° | 61.6° |
| C21 | N22 | C26 | C25 | 161.0° | 179.0° |
| N22 | C21 | C14 | H6 | 8.1° | 59.9° |
| C21 | N22 | C26 | H9 | 39.2° | 59.4° |
| C21 | N22 | C23 | H16 | 64.8° | 37.1° |
| C21 | N22 | C23 | H17 | 56.4° | 85.2° |
| N22 | C23 | C24 | H16 | 119.4° | 118.8° |
| N22 | C23 | C24 | H17 | 119.4° | 118.9° |
| C23 | N22 | C26 | C27 | 98.1° | 118.6° |
| C23 | N22 | C26 | C25 | 19.4° | 0.9° |
| N22 | C23 | C24 | C25 | 22.1° | 36.8° |
| C23 | N22 | C26 | H9 | 141.2° | 120.5° |
| N22 | C23 | H16 | H17 | 121.8° | 122.3° |
| N22 | C23 | C24 | H18 | 141.6° | 154.9° |
| N22 | C23 | C24 | H19 | 97.3° | 81.3° |
| C26 | N22 | C23 | C24 | 3.9° | 23.9° |
| N22 | C26 | C27 | O47 | 18.0° | 0.0° |
| N22 | C26 | C27 | C25 | 113.8° | 117.9° |
| N22 | C26 | C27 | H9 | 120.7° | 120.9° |
| N22 | C26 | C25 | H9 | 120.1° | 119.5° |
| N22 | C26 | C27 | N28 | 161.6° | 180.0° |
| N22 | C26 | C25 | C24 | 31.7° | 22.2° |
| C26 | N22 | C23 | H16 | 115.5° | 142.8° |
| C26 | N22 | C23 | H17 | 123.3° | 94.9° |
| N22 | C26 | C25 | H49 | 151.0° | 96.1° |
| N22 | C26 | C25 | H50 | 87.6° | 140.7° |
| C23 | C24 | C25 | C26 | 36.1° | 35.4° |
| C23 | C24 | C25 | H18 | 119.4° | 118.2° |
| C23 | C24 | C25 | H19 | 119.4° | 118.0° |
| C24 | C23 | H16 | H17 | 121.8° | 122.2° |
| C23 | C24 | H18 | H19 | 121.7° | 123.8° |
| C23 | C24 | C25 | H49 | 155.4° | 83.0° |
| C23 | C24 | C25 | H50 | 83.2° | 153.8° |
| O47 | C27 | C26 | N28 | 179.6° | 180.0° |
| O47 | C27 | C26 | C25 | 131.8° | 117.8° |
| O47 | C27 | N28 | C29 | 0.4° | 0.0° |
| O47 | C27 | C26 | H9 | 102.7° | 121.0° |
| O47 | C27 | N28 | H20 | 179.6° | 180.0° |
| C27 | C26 | C25 | H9 | 124.0° | 121.1° |
| C27 | C26 | C25 | C24 | 84.2° | 141.6° |
| C26 | C27 | N28 | C29 | 180.0° | 180.0° |
| C26 | C27 | N28 | H20 | 0.0° | 0.1° |
| C27 | C26 | C25 | H49 | 35.0° | 23.3° |
| C27 | C26 | C25 | H50 | 156.5° | 99.9° |
| C25 | C26 | C27 | N28 | 47.8° | 62.1° |
| C26 | C25 | C24 | H49 | 119.3° | 118.3° |
| C26 | C25 | C24 | H50 | 119.3° | 118.4° |
| C26 | C25 | C24 | H18 | 155.5° | 153.6° |
| C26 | C25 | C24 | H19 | 83.3° | 82.7° |
| C26 | C25 | H49 | H50 | 122.2° | 123.2° |
| C27 | N28 | C29 | C30 | 85.8° | 85.0° |
| C27 | N28 | C29 | H20 | 180.0° | 180.0° |
| C27 | N28 | C29 | C33 | 156.2° | 155.1° |
| N28 | C27 | C26 | H9 | 77.7° | 59.1° |
| C27 | N28 | C29 | H21 | 34.7° | 35.1° |
| C24 | C25 | C26 | H9 | 151.8° | 97.3° |
| C25 | C24 | C23 | H16 | 97.3° | 155.6° |
| C25 | C24 | C23 | H17 | 141.5° | 82.1° |
| C25 | C24 | H18 | H19 | 121.7° | 123.9° |
| C24 | C25 | H49 | H50 | 122.2° | 123.3° |
| C31 | C30 | C29 | H24 | 120.4° | 120.0° |
| C31 | C30 | C29 | H25 | 120.4° | 120.0° |
| C31 | C30 | C29 | N28 | 42.0° | 65.0° |
| C30 | C31 | C32 | H22 | 120.4° | 120.0° |
| C30 | C31 | C32 | H23 | 120.4° | 120.0° |
| C31 | C30 | C29 | C33 | 78.3° | 175.0° |
| C31 | C30 | C29 | H21 | 163.1° | 55.0° |
| C30 | C31 | H22 | H23 | 118.8° | 120.0° |
| C31 | C30 | H24 | H25 | 118.7° | 120.0° |
| C30 | C31 | C32 | H51 | 180.0° | 60.0° |
| C30 | C31 | C32 | H52 | 60.0° | 60.0° |
| C30 | C31 | C32 | H53 | 60.0° | 180.0° |
| C30 | C29 | N28 | C33 | 118.1° | 120.0° |
| C30 | C29 | N28 | H21 | 120.5° | 120.1° |
| C29 | C30 | C31 | C32 | 134.9° | NaN° |
| C30 | C29 | C33 | H21 | 118.7° | 120.0° |
| C30 | C29 | C33 | N34 | 32.1° | 60.0° |
| C30 | C29 | C33 | O46 | 147.7° | 120.0° |
| C30 | C29 | N28 | H20 | 94.2° | 95.0° |
| C29 | C30 | C31 | H22 | 104.7° | 60.0° |
| C29 | C30 | C31 | H23 | 14.5° | 60.0° |
| C29 | C30 | H24 | H25 | 118.8° | 120.0° |
| N28 | C29 | C33 | H21 | 122.1° | 120.0° |
| N28 | C29 | C33 | N34 | 151.3° | 180.0° |
| N28 | C29 | C33 | O46 | 28.4° | 0.0° |
| N28 | C29 | C30 | H24 | 78.4° | 55.0° |
| N28 | C29 | C30 | H25 | 162.3° | 174.9° |
| C32 | C31 | H22 | H23 | 118.7° | 120.0° |
| C32 | C31 | C30 | H24 | 104.7° | 60.0° |
| C32 | C31 | C30 | H25 | 14.5° | 60.0° |
| C31 | C32 | H51 | H52 | 120.0° | 120.0° |
| C31 | C32 | H51 | H53 | 120.0° | 120.0° |
| C31 | C32 | H52 | H53 | 120.0° | 120.0° |
| C29 | C33 | N34 | O46 | 179.8° | 180.0° |
| C29 | C33 | N34 | C35 | 179.6° | 179.9° |
| C33 | C29 | N28 | H20 | 23.9° | 25.0° |
| C33 | C29 | C30 | H24 | 161.3° | 65.0° |
| C33 | C29 | C30 | H25 | 42.1° | 55.0° |
| C29 | C33 | N34 | H57 | 0.5° | 0.0° |
| C33 | N34 | C35 | H57 | 180.0° | 179.9° |
| C33 | N34 | C35 | C36 | 162.4° | 155.0° |
| C33 | N34 | C35 | C43 | 79.6° | 85.0° |
| N34 | C33 | C29 | H21 | 86.6° | 60.0° |
| C33 | N34 | C35 | H26 | 41.3° | 34.9° |
| O46 | C33 | N34 | C35 | 0.2° | 0.0° |
| O46 | C33 | C29 | H21 | 93.6° | 120.0° |
| O46 | C33 | N34 | H57 | 179.7° | 179.9° |
| N34 | C35 | C36 | C43 | 117.1° | 120.0° |
| N34 | C35 | C36 | H26 | 121.8° | 120.0° |
| N34 | C35 | C43 | H26 | 121.5° | 119.9° |
| N34 | C35 | C36 | C37 | 124.2° | 65.1° |
| N34 | C35 | C43 | O44 | 95.6° | 0.0° |
| N34 | C35 | C43 | O45 | 83.9° | 180.0° |
| N34 | C35 | C36 | H27 | 3.6° | 55.0° |
| N34 | C35 | C36 | H28 | 115.1° | 175.0° |
| C36 | C35 | C43 | H26 | 121.1° | 120.1° |
| C35 | C36 | C37 | H27 | 120.6° | 120.1° |
| C35 | C36 | C37 | H28 | 120.7° | 120.0° |
| C36 | C35 | C43 | O44 | 21.7° | 120.0° |
| C36 | C35 | C43 | O45 | 158.8° | 60.0° |
| C35 | C36 | C37 | C42 | 53.4° | 90.2° |
| C35 | C36 | C37 | C38 | 126.8° | 90.1° |
| C35 | C36 | H27 | H28 | 118.1° | 120.0° |
| C36 | C35 | N34 | H57 | 17.5° | 24.9° |
| C43 | C35 | C36 | C37 | 118.7° | 175.0° |
| C35 | C43 | O44 | O45 | 179.5° | 180.0° |
| C43 | C35 | C36 | H27 | 120.7° | 64.9° |
| C43 | C35 | C36 | H28 | 2.0° | 55.0° |
| C35 | C43 | O45 | H33 | 179.5° | 180.0° |
| C43 | C35 | N34 | H57 | 100.5° | 95.1° |
| C36 | C37 | C42 | C38 | 179.8° | 179.7° |
| C36 | C37 | C42 | C41 | 179.9° | 180.0° |
| C36 | C37 | C38 | C39 | 179.9° | 180.0° |
| C37 | C36 | C35 | H26 | 2.4° | 54.9° |
| C37 | C36 | H27 | H28 | 118.0° | 120.0° |
| C36 | C37 | C38 | H29 | 0.1° | 0.1° |
| C36 | C37 | C42 | H54 | 0.1° | 0.0° |
| O44 | C43 | C35 | H26 | 142.9° | 119.9° |
| O44 | C43 | O45 | H33 | 0.0° | 0.0° |
| O45 | C43 | C35 | H26 | 37.6° | 60.1° |
| C37 | C42 | C41 | H54 | 180.0° | 179.9° |
| C37 | C42 | C41 | C40 | 0.0° | 0.1° |
| C42 | C37 | C38 | C39 | 0.0° | 0.3° |
| C42 | C37 | C36 | H27 | 67.2° | 149.7° |
| C42 | C37 | C36 | H28 | 174.0° | 29.7° |
| C42 | C37 | C38 | H29 | 180.0° | 179.8° |
| C37 | C42 | C41 | H32 | 180.0° | 180.0° |
| C41 | C42 | C37 | C38 | 0.1° | 0.3° |
| C42 | C41 | C40 | H32 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 0.0° | 0.3° |
| C42 | C41 | C40 | H31 | 180.0° | 180.0° |
| C37 | C38 | C39 | H29 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.0° | 0.1° |
| C38 | C37 | C36 | H27 | 112.6° | 30.0° |
| C38 | C37 | C36 | H28 | 6.1° | 150.0° |
| C37 | C38 | C39 | H30 | 180.0° | 180.0° |
| C38 | C37 | C42 | H54 | 179.9° | 179.7° |
| C41 | C40 | C39 | C38 | 0.1° | 0.3° |
| C41 | C40 | C39 | H31 | 180.0° | 179.7° |
| C41 | C40 | C39 | H30 | 180.0° | 179.7° |
| C40 | C41 | C42 | H54 | 180.0° | 180.0° |
| C38 | C39 | C40 | H30 | 180.0° | 180.0° |
| C38 | C39 | C40 | H31 | 180.0° | 180.0° |
| C40 | C39 | C38 | H29 | 180.0° | 179.9° |
| C39 | C40 | C41 | H32 | 180.0° | 179.7° |
| H1 | C52 | C53 | H2 | 0.1° | 0.0° |
| H4 | C10 | C09 | H42 | 61.8° | 60.0° |
| H4 | C10 | C09 | H43 | 58.4° | 179.9° |
| H4 | C10 | C11 | H44 | 17.2° | 60.0° |
| H4 | C10 | C11 | H45 | 100.4° | 180.0° |
| H5 | C10 | C09 | H42 | 57.0° | 60.0° |
| H5 | C10 | C09 | H43 | 177.2° | 60.1° |
| H5 | C10 | C11 | H44 | 136.0° | 60.0° |
| H5 | C10 | C11 | H45 | 18.4° | 60.0° |
| H6 | C14 | C15 | H46 | 179.1° | 60.0° |
| H6 | C14 | N13 | H56 | 159.3° | 145.0° |
| H7 | C18 | C17 | H10 | 54.4° | 60.1° |
| H7 | C18 | C17 | H11 | 173.7° | 179.9° |
| H7 | C18 | C19 | H12 | 55.8° | 60.0° |
| H7 | C18 | C19 | H13 | 175.2° | 179.9° |
| H8 | C18 | C17 | H10 | 65.0° | 60.0° |
| H8 | C18 | C17 | H11 | 54.3° | 60.0° |
| H8 | C18 | C19 | H12 | 63.6° | 60.0° |
| H8 | C18 | C19 | H13 | 55.7° | 60.1° |
| H9 | C26 | C25 | H49 | 89.0° | 144.4° |
| H9 | C26 | C25 | H50 | 32.5° | 21.2° |
| H10 | C17 | C16 | H47 | 67.4° | 60.0° |
| H10 | C17 | C16 | H48 | 51.7° | 59.9° |
| H11 | C17 | C16 | H47 | 51.9° | 60.0° |
| H11 | C17 | C16 | H48 | 170.9° | 180.0° |
| H12 | C19 | C20 | H14 | 65.2° | 60.0° |
| H12 | C19 | C20 | H15 | 54.1° | 60.0° |
| H13 | C19 | C20 | H14 | 54.1° | 60.0° |
| H13 | C19 | C20 | H15 | 173.4° | 180.0° |
| H14 | C20 | C15 | H46 | 50.6° | 60.0° |
| H15 | C20 | C15 | H46 | 170.0° | 179.9° |
| H16 | C23 | C24 | H18 | 22.2° | 86.2° |
| H16 | C23 | C24 | H19 | 143.3° | 37.5° |
| H17 | C23 | C24 | H18 | 99.1° | 36.1° |
| H17 | C23 | C24 | H19 | 22.1° | 159.8° |
| H18 | C24 | C25 | H49 | 85.2° | 35.2° |
| H18 | C24 | C25 | H50 | 36.2° | 88.0° |
| H19 | C24 | C25 | H49 | 35.9° | 159.0° |
| H19 | C24 | C25 | H50 | 157.4° | 35.7° |
| H20 | N28 | C29 | H21 | 145.3° | 145.0° |
| H21 | C29 | C30 | H24 | 42.7° | 175.0° |
| H21 | C29 | C30 | H25 | 76.5° | 65.0° |
| H22 | C31 | C30 | H24 | 15.7° | 180.0° |
| H22 | C31 | C30 | H25 | 134.9° | 60.0° |
| H22 | C31 | C32 | H51 | 59.6° | 180.0° |
| H22 | C31 | C32 | H52 | 179.6° | 60.0° |
| H22 | C31 | C32 | H53 | 60.4° | 60.0° |
| H23 | C31 | C30 | H24 | 134.9° | 60.0° |
| H23 | C31 | C30 | H25 | 105.9° | 180.0° |
| H23 | C31 | C32 | H51 | 59.5° | 60.0° |
| H23 | C31 | C32 | H52 | 60.5° | 180.0° |
| H23 | C31 | C32 | H53 | 179.6° | 60.0° |
| H26 | C35 | C36 | H27 | 118.2° | 175.0° |
| H26 | C35 | C36 | H28 | 123.1° | 65.1° |
| H26 | C35 | N34 | H57 | 138.7° | 145.0° |
| H29 | C38 | C39 | H30 | 0.0° | 0.1° |
| H30 | C39 | C40 | H31 | 0.0° | 0.0° |
| H31 | C40 | C41 | H32 | 0.0° | 0.0° |
| H32 | C41 | C42 | H54 | 0.0° | 0.0° |
| H34 | C04 | C05 | H35 | 58.5° | 175.0° |
| H34 | C04 | C05 | H36 | 178.1° | 65.1° |
| H34 | C04 | N03 | H55 | 175.3° | 145.0° |
| H35 | C05 | C06 | H37 | 179.7° | 65.0° |
| H36 | C05 | C06 | H37 | 60.8° | 175.0° |
| H37 | C06 | C07 | H38 | 139.4° | 59.9° |
| H37 | C06 | C07 | H39 | 21.6° | 180.0° |
| H37 | C06 | C11 | H44 | 23.1° | 59.9° |
| H37 | C06 | C11 | H45 | 140.8° | 180.0° |
| H38 | C07 | C08 | H40 | 21.0° | 59.9° |
| H38 | C07 | C08 | H41 | 97.8° | 60.0° |
| H39 | C07 | C08 | H40 | 138.8° | 180.0° |
| H39 | C07 | C08 | H41 | 20.0° | 60.0° |
| H40 | C08 | C09 | H42 | 58.6° | 60.0° |
| H40 | C08 | C09 | H43 | 178.9° | 180.0° |
| H41 | C08 | C09 | H42 | 60.1° | 60.0° |
| H41 | C08 | C09 | H43 | 60.1° | 60.0° |
| H46 | C15 | C16 | H47 | 49.8° | 60.0° |
| H46 | C15 | C16 | H48 | 168.9° | 180.0° |
| H51 | C32 | H52 | H53 | 120.0° | 120.0° |
