A1A4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C22 | sing | 1.53Å | 1.53Å | |
| C43 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C19 | sing | 1.48Å | 1.55Å | |
| C19 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | N24 | sing | 1.32Å | 1.34Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C29 | sing | 1.53Å | 1.54Å | |
| C22 | C30 | sing | 1.53Å | 1.54Å | |
| C22 | C11 | sing | 1.51Å | 1.54Å | |
| C20 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | N10 | sing | 1.35Å | 1.48Å | |
| C11 | O21 | doub | 1.21Å | 1.20Å | |
| C15 | C14 | sing | 1.51Å | 1.56Å | |
| N10 | C09 | sing | 1.46Å | 1.47Å | |
| N24 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| C26 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C09 | sing | 1.53Å | 1.56Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C25 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C01 | sing | 1.51Å | 1.54Å | |
| C08 | S07 | sing | 1.81Å | 1.81Å | |
| N04 | C03 | sing | 1.47Å | 1.47Å | |
| N04 | C05 | sing | 1.35Å | 1.47Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| S07 | C06 | sing | 1.81Å | 1.82Å | |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C06 | C13 | sing | 1.53Å | 1.54Å | |
| C05 | O12 | doub | 1.21Å | 1.20Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C32 | sing | 1.51Å | 1.54Å | |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| C40 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | H39 | sing | 1.08Å | 1.08Å | |
| C42 | H40 | sing | 1.08Å | 1.08Å | |
| C43 | H41 | sing | 1.08Å | 1.08Å | |
| N04 | H42 | sing | 0.97Å | 1.00Å | |
| N10 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C41 | C40 | 119.9° | 120.3° |
| C41 | C42 | C43 | 120.1° | 120.1° |
| C42 | C41 | H39 | 120.0° | 119.9° |
| C41 | C42 | H40 | 119.9° | 119.9° |
| C41 | C40 | C39 | 119.9° | 120.1° |
| C41 | C40 | H38 | 120.1° | 120.0° |
| C40 | C41 | H39 | 120.0° | 119.8° |
| C42 | C43 | C38 | 120.2° | 119.9° |
| C43 | C42 | H40 | 120.0° | 119.9° |
| C42 | C43 | H41 | 119.9° | 120.1° |
| C40 | C39 | C38 | 120.5° | 119.9° |
| C40 | C39 | H37 | 119.8° | 120.1° |
| C39 | C40 | H38 | 120.0° | 119.9° |
| C31 | C22 | C29 | 110.2° | 109.5° |
| C31 | C22 | C30 | 108.4° | 109.5° |
| C31 | C22 | C11 | 108.9° | 109.5° |
| C22 | C31 | H29 | 109.5° | 109.5° |
| C22 | C31 | H30 | 109.5° | 109.5° |
| C22 | C31 | H31 | 109.4° | 109.5° |
| C43 | C38 | C39 | 119.5° | 119.7° |
| C43 | C38 | C19 | 121.1° | 120.1° |
| C38 | C43 | H41 | 119.9° | 120.0° |
| C39 | C38 | C19 | 119.5° | 120.2° |
| C38 | C39 | H37 | 119.8° | 120.0° |
| C38 | C19 | C18 | 121.3° | 120.1° |
| C38 | C19 | C20 | 119.4° | 120.1° |
| C18 | C19 | C20 | 119.3° | 119.7° |
| C19 | C18 | C17 | 120.7° | 119.8° |
| C19 | C18 | H3 | 119.6° | 120.0° |
| C19 | C20 | C16 | 119.8° | 119.9° |
| C19 | C20 | H4 | 120.1° | 120.0° |
| C27 | C28 | N24 | 121.4° | 120.7° |
| C28 | C27 | C26 | 119.1° | 119.2° |
| C28 | C27 | H21 | 120.5° | 120.4° |
| C27 | C28 | H22 | 119.3° | 119.6° |
| C28 | N24 | C25 | 120.8° | 121.7° |
| N24 | C28 | H22 | 119.3° | 119.6° |
| C27 | C26 | C23 | 118.4° | 118.4° |
| C27 | C26 | H6 | 120.8° | 120.8° |
| C26 | C27 | H21 | 120.5° | 120.4° |
| C18 | C17 | C15 | 120.2° | 120.2° |
| C18 | C17 | H2 | 119.9° | 119.9° |
| C17 | C18 | H3 | 119.6° | 120.1° |
| C29 | C22 | C30 | 110.1° | 109.5° |
| C29 | C22 | C11 | 109.1° | 109.5° |
| C22 | C29 | H23 | 109.5° | 109.5° |
| C22 | C29 | H24 | 109.5° | 109.5° |
| C22 | C29 | H25 | 109.5° | 109.5° |
| C30 | C22 | C11 | 110.2° | 109.5° |
| C22 | C30 | H26 | 109.5° | 109.5° |
| C22 | C30 | H27 | 109.5° | 109.5° |
| C22 | C30 | H28 | 109.5° | 109.5° |
| C22 | C11 | N10 | 121.5° | 120.0° |
| C22 | C11 | O21 | 118.6° | 120.0° |
| C20 | C16 | C15 | 121.9° | 120.1° |
| C20 | C16 | H1 | 119.1° | 120.0° |
| C16 | C20 | H4 | 120.1° | 120.0° |
| C17 | C15 | C16 | 118.2° | 120.2° |
| C17 | C15 | C14 | 126.2° | 119.9° |
| C15 | C17 | H2 | 119.9° | 119.9° |
| C16 | C15 | C14 | 115.7° | 119.9° |
| C15 | C16 | H1 | 119.1° | 120.0° |
| N10 | C11 | O21 | 119.9° | 120.0° |
| C11 | N10 | C09 | 116.5° | 120.0° |
| C11 | N10 | H43 | 121.7° | 120.0° |
| C15 | C14 | C09 | 125.0° | 109.5° |
| C15 | C14 | H9 | 105.5° | 109.4° |
| C15 | C14 | H10 | 105.4° | 109.4° |
| N10 | C09 | C14 | 116.3° | 109.5° |
| N10 | C09 | C08 | 109.1° | 109.5° |
| N10 | C09 | H20 | 106.6° | 109.5° |
| C09 | N10 | H43 | 121.8° | 120.0° |
| N24 | C25 | C23 | 121.1° | 120.8° |
| N24 | C25 | H5 | 119.5° | 119.6° |
| C26 | C23 | C25 | 119.3° | 119.2° |
| C26 | C23 | C01 | 120.1° | 120.4° |
| C23 | C26 | H6 | 120.8° | 120.8° |
| C14 | C09 | C08 | 112.6° | 109.5° |
| C09 | C14 | H9 | 105.5° | 109.5° |
| C09 | C14 | H10 | 105.5° | 109.5° |
| C14 | C09 | H20 | 105.7° | 109.5° |
| C09 | C08 | S07 | 112.8° | 109.4° |
| C09 | C08 | H18 | 108.6° | 109.5° |
| C09 | C08 | H19 | 108.6° | 109.4° |
| C08 | C09 | H20 | 105.8° | 109.5° |
| C25 | C23 | C01 | 120.6° | 120.4° |
| C23 | C25 | H5 | 119.5° | 119.7° |
| C23 | C01 | C02 | 113.8° | 109.5° |
| C23 | C01 | H11 | 108.4° | 109.5° |
| C23 | C01 | H12 | 108.4° | 109.5° |
| C08 | S07 | C06 | 113.7° | 103.0° |
| S07 | C08 | H18 | 108.6° | 109.5° |
| S07 | C08 | H19 | 108.6° | 109.5° |
| C03 | N04 | C05 | 120.2° | 120.0° |
| N04 | C03 | C02 | 109.4° | 109.5° |
| N04 | C03 | H15 | 109.5° | 109.5° |
| N04 | C03 | H16 | 109.5° | 109.5° |
| C03 | N04 | H42 | 119.9° | 120.0° |
| N04 | C05 | C06 | 119.7° | 120.0° |
| N04 | C05 | O12 | 120.0° | 120.0° |
| C05 | N04 | H42 | 119.9° | 120.0° |
| C01 | C02 | C03 | 114.0° | 109.5° |
| C02 | C01 | H11 | 108.4° | 109.4° |
| C02 | C01 | H12 | 108.4° | 109.5° |
| C01 | C02 | H13 | 108.3° | 109.5° |
| C01 | C02 | H14 | 108.3° | 109.5° |
| C03 | C02 | H13 | 108.3° | 109.5° |
| C03 | C02 | H14 | 108.3° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| S07 | C06 | C05 | 113.0° | 109.5° |
| S07 | C06 | C13 | 105.0° | 109.5° |
| S07 | C06 | H17 | 107.4° | 109.5° |
| C05 | C06 | C13 | 109.7° | 109.4° |
| C06 | C05 | O12 | 120.3° | 120.0° |
| C05 | C06 | H17 | 110.8° | 109.5° |
| C06 | C13 | C32 | 116.6° | 109.5° |
| C06 | C13 | H7 | 107.7° | 109.5° |
| C06 | C13 | H8 | 107.6° | 109.5° |
| C13 | C06 | H17 | 110.8° | 109.4° |
| C35 | C34 | C32 | 119.5° | 120.0° |
| C34 | C35 | C36 | 119.5° | 120.0° |
| C35 | C34 | H33 | 120.2° | 120.0° |
| C34 | C35 | H34 | 120.3° | 120.0° |
| C34 | C32 | C13 | 119.2° | 120.0° |
| C34 | C32 | C33 | 120.9° | 120.0° |
| C32 | C34 | H33 | 120.2° | 120.0° |
| C13 | C32 | C33 | 119.9° | 120.0° |
| C32 | C13 | H7 | 107.6° | 109.5° |
| C32 | C13 | H8 | 107.7° | 109.5° |
| C35 | C36 | C37 | 121.1° | 120.1° |
| C36 | C35 | H34 | 120.2° | 120.0° |
| C35 | C36 | H35 | 119.5° | 120.0° |
| C32 | C33 | C37 | 119.7° | 120.0° |
| C32 | C33 | H32 | 120.1° | 120.0° |
| C36 | C37 | C33 | 119.3° | 120.0° |
| C37 | C36 | H35 | 119.5° | 120.0° |
| C36 | C37 | H36 | 120.4° | 120.0° |
| C37 | C33 | H32 | 120.2° | 120.0° |
| C33 | C37 | H36 | 120.3° | 120.0° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H13 | C02 | H14 | 109.5° | 109.4° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.4° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H25 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.5° | 109.4° |
| H26 | C30 | H27 | 109.5° | 109.4° |
| H26 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.4° | 109.5° |
| H29 | C31 | H30 | 109.4° | 109.5° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C41 | C40 | H39 | 180.0° | 179.7° |
| C41 | C42 | C43 | H40 | 180.0° | 179.8° |
| C42 | C41 | C40 | C39 | 0.0° | 0.0° |
| C41 | C42 | C43 | C38 | 0.0° | 0.6° |
| C42 | C41 | C40 | H38 | 179.9° | 180.0° |
| C41 | C42 | C43 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.1° | 0.3° |
| C41 | C40 | C39 | H38 | 180.0° | 180.0° |
| C41 | C40 | C39 | C38 | 0.0° | 0.0° |
| C41 | C40 | C39 | H37 | 180.0° | 180.0° |
| C40 | C41 | C42 | H40 | 180.0° | 180.0° |
| C42 | C43 | C38 | H41 | 180.0° | 179.4° |
| C42 | C43 | C38 | C39 | 0.1° | 0.6° |
| C42 | C43 | C38 | C19 | 179.8° | 179.7° |
| C43 | C42 | C41 | H39 | 179.9° | 180.0° |
| C40 | C39 | C38 | C43 | 0.1° | 0.3° |
| C40 | C39 | C38 | H37 | 180.0° | 180.0° |
| C40 | C39 | C38 | C19 | 179.8° | 180.0° |
| C39 | C40 | C41 | H39 | 179.9° | 179.7° |
| C31 | C22 | C29 | C30 | 119.5° | 120.0° |
| C31 | C22 | C29 | C11 | 119.5° | 120.0° |
| C31 | C22 | C30 | C11 | 119.1° | 120.0° |
| C31 | C22 | C11 | N10 | 88.1° | 60.0° |
| C31 | C22 | C11 | O21 | 91.5° | 120.3° |
| C31 | C22 | C29 | H23 | 180.0° | 60.0° |
| C31 | C22 | C29 | H24 | 60.0° | 60.1° |
| C31 | C22 | C29 | H25 | 60.0° | 180.0° |
| C31 | C22 | C30 | H26 | 180.0° | 180.0° |
| C31 | C22 | C30 | H27 | 60.0° | 60.0° |
| C31 | C22 | C30 | H28 | 60.0° | 60.0° |
| C22 | C31 | H29 | H30 | 120.0° | 120.1° |
| C22 | C31 | H29 | H31 | 120.0° | 120.0° |
| C22 | C31 | H30 | H31 | 120.0° | 120.0° |
| C43 | C38 | C39 | C19 | 179.7° | 179.7° |
| C43 | C38 | C19 | C18 | 0.0° | 0.3° |
| C43 | C38 | C19 | C20 | 179.5° | 179.5° |
| C43 | C38 | C39 | H37 | 179.9° | 179.7° |
| C38 | C43 | C42 | H40 | 180.0° | 179.7° |
| C39 | C38 | C19 | C18 | 179.7° | 180.0° |
| C39 | C38 | C19 | C20 | 0.2° | 0.3° |
| C38 | C39 | C40 | H38 | 180.0° | 180.0° |
| C39 | C38 | C43 | H41 | 179.9° | 180.0° |
| C38 | C19 | C18 | C20 | 179.4° | 179.7° |
| C38 | C19 | C18 | C17 | 179.7° | 180.0° |
| C38 | C19 | C20 | C16 | 179.8° | 179.9° |
| C38 | C19 | C18 | H3 | 0.3° | 0.0° |
| C38 | C19 | C20 | H4 | 0.2° | 0.3° |
| C19 | C38 | C39 | H37 | 0.2° | 0.0° |
| C19 | C38 | C43 | H41 | 0.2° | 0.3° |
| C19 | C18 | C17 | H3 | 180.0° | 180.0° |
| C18 | C19 | C20 | C16 | 0.3° | 0.2° |
| C19 | C18 | C17 | C15 | 0.0° | 0.0° |
| C19 | C18 | C17 | H2 | 180.0° | 180.0° |
| C18 | C19 | C20 | H4 | 179.7° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.2° |
| C19 | C20 | C16 | H4 | 180.0° | 179.8° |
| C19 | C20 | C16 | C15 | 0.1° | 0.1° |
| C19 | C20 | C16 | H1 | 179.9° | 180.0° |
| C20 | C19 | C18 | H3 | 179.8° | 179.7° |
| C27 | C28 | N24 | H22 | 180.0° | 179.7° |
| C28 | C27 | C26 | H21 | 180.0° | 179.9° |
| C27 | C28 | N24 | C25 | 0.0° | 0.3° |
| C28 | C27 | C26 | C23 | 0.2° | 0.0° |
| C28 | C27 | C26 | H6 | 179.8° | 179.9° |
| N24 | C28 | C27 | C26 | 0.0° | 0.3° |
| C28 | N24 | C25 | C23 | 0.2° | 0.0° |
| C28 | N24 | C25 | H5 | 179.8° | 179.9° |
| N24 | C28 | C27 | H21 | 180.0° | 179.6° |
| C27 | C26 | C23 | H6 | 180.0° | 180.0° |
| C27 | C26 | C23 | C25 | 0.4° | 0.3° |
| C27 | C26 | C23 | C01 | 180.0° | 180.0° |
| C26 | C27 | C28 | H22 | 180.0° | 180.0° |
| C18 | C17 | C15 | H2 | 180.0° | 180.0° |
| C18 | C17 | C15 | C16 | 0.2° | 0.3° |
| C18 | C17 | C15 | C14 | 179.7° | 180.0° |
| C29 | C22 | C30 | C11 | 120.4° | 120.0° |
| C29 | C22 | C11 | N10 | 32.2° | 180.0° |
| C29 | C22 | C11 | O21 | 148.3° | 0.3° |
| C22 | C29 | H23 | H24 | 120.0° | 120.1° |
| C22 | C29 | H23 | H25 | 120.0° | 120.0° |
| C22 | C29 | H24 | H25 | 120.0° | 120.0° |
| C29 | C22 | C30 | H26 | 59.5° | 60.0° |
| C29 | C22 | C30 | H27 | 60.6° | 180.0° |
| C29 | C22 | C30 | H28 | 179.5° | 60.0° |
| C29 | C22 | C31 | H29 | 180.0° | 60.0° |
| C29 | C22 | C31 | H30 | 60.0° | 180.0° |
| C29 | C22 | C31 | H31 | 60.0° | 60.0° |
| C30 | C22 | C11 | N10 | 153.1° | 59.9° |
| C30 | C22 | C11 | O21 | 27.3° | 119.7° |
| C30 | C22 | C29 | H23 | 60.5° | 60.0° |
| C30 | C22 | C29 | H24 | 179.4° | 180.0° |
| C30 | C22 | C29 | H25 | 59.5° | 60.0° |
| C22 | C30 | H26 | H27 | 120.0° | 120.0° |
| C22 | C30 | H26 | H28 | 120.0° | 120.0° |
| C22 | C30 | H27 | H28 | 120.0° | 120.0° |
| C30 | C22 | C31 | H29 | 59.5° | 60.0° |
| C30 | C22 | C31 | H30 | 60.5° | 60.0° |
| C30 | C22 | C31 | H31 | 179.5° | 180.0° |
| C22 | C11 | N10 | O21 | 179.5° | 179.7° |
| C22 | C11 | N10 | C09 | 179.1° | 179.7° |
| C11 | C22 | C29 | H23 | 60.5° | 179.9° |
| C11 | C22 | C29 | H24 | 59.5° | 60.0° |
| C11 | C22 | C29 | H25 | 179.5° | 60.0° |
| C11 | C22 | C30 | H26 | 60.9° | 60.0° |
| C11 | C22 | C30 | H27 | 179.1° | 59.9° |
| C11 | C22 | C30 | H28 | 59.1° | 180.0° |
| C11 | C22 | C31 | H29 | 60.4° | 180.0° |
| C11 | C22 | C31 | H30 | 179.6° | 59.9° |
| C11 | C22 | C31 | H31 | 59.6° | 60.0° |
| C22 | C11 | N10 | H43 | 0.9° | 0.3° |
| C20 | C16 | C15 | C17 | 0.1° | 0.3° |
| C20 | C16 | C15 | H1 | 180.0° | 179.9° |
| C20 | C16 | C15 | C14 | 179.7° | 179.9° |
| C17 | C15 | C16 | C14 | 179.6° | 179.7° |
| C17 | C15 | C14 | C09 | 4.8° | 90.3° |
| C17 | C15 | C16 | H1 | 179.8° | 179.7° |
| C15 | C17 | C18 | H3 | 180.0° | 180.0° |
| C17 | C15 | C14 | H9 | 126.8° | 29.7° |
| C17 | C15 | C14 | H10 | 117.3° | 149.7° |
| C16 | C15 | C14 | C09 | 175.7° | 90.0° |
| C16 | C15 | C17 | H2 | 179.8° | 179.7° |
| C15 | C16 | C20 | H4 | 179.9° | 179.7° |
| C16 | C15 | C14 | H9 | 53.6° | 150.0° |
| C16 | C15 | C14 | H10 | 62.2° | 30.0° |
| C11 | N10 | C09 | H43 | 180.0° | 179.9° |
| C11 | N10 | C09 | C14 | 157.8° | 60.0° |
| C11 | N10 | C09 | C08 | 73.5° | 60.0° |
| C11 | N10 | C09 | H20 | 40.3° | 180.0° |
| O21 | C11 | N10 | C09 | 1.3° | 0.1° |
| O21 | C11 | N10 | H43 | 178.7° | 180.0° |
| C15 | C14 | C09 | N10 | 23.4° | 65.0° |
| C15 | C14 | C09 | H9 | 122.1° | 120.0° |
| C15 | C14 | C09 | H10 | 122.1° | 120.0° |
| C15 | C14 | C09 | C08 | 103.5° | 175.0° |
| C14 | C15 | C16 | H1 | 0.2° | 0.0° |
| C14 | C15 | C17 | H2 | 0.3° | 0.0° |
| C15 | C14 | H9 | H10 | 113.0° | 120.0° |
| C15 | C14 | C09 | H20 | 141.5° | 55.0° |
| N10 | C09 | C14 | C08 | 126.9° | 120.0° |
| N10 | C09 | C14 | H20 | 118.1° | 120.0° |
| N10 | C09 | C08 | H20 | 114.3° | 120.0° |
| N10 | C09 | C08 | S07 | 81.3° | 65.0° |
| N10 | C09 | C14 | H9 | 98.7° | 175.0° |
| N10 | C09 | C14 | H10 | 145.5° | 55.0° |
| N10 | C09 | C08 | H18 | 39.2° | 175.0° |
| N10 | C09 | C08 | H19 | 158.2° | 55.0° |
| N24 | C25 | C23 | C26 | 0.4° | 0.3° |
| N24 | C25 | C23 | H5 | 180.0° | 180.0° |
| N24 | C25 | C23 | C01 | 180.0° | 180.0° |
| C25 | N24 | C28 | H22 | 180.0° | 180.0° |
| C26 | C23 | C25 | C01 | 179.7° | 179.7° |
| C26 | C23 | C01 | C02 | 108.3° | 90.3° |
| C26 | C23 | C25 | H5 | 179.7° | 179.8° |
| C26 | C23 | C01 | H11 | 12.3° | 29.7° |
| C26 | C23 | C01 | H12 | 131.1° | 149.7° |
| C23 | C26 | C27 | H21 | 179.8° | 179.9° |
| C14 | C09 | C08 | H20 | 115.0° | 120.0° |
| C14 | C09 | C08 | S07 | 49.4° | 175.0° |
| C09 | C14 | H9 | H10 | 113.1° | 120.1° |
| C14 | C09 | C08 | H18 | 169.9° | 55.0° |
| C14 | C09 | C08 | H19 | 71.2° | 65.0° |
| C14 | C09 | N10 | H43 | 22.2° | 120.0° |
| C09 | C08 | S07 | H18 | 120.5° | 120.0° |
| C09 | C08 | S07 | H19 | 120.5° | 120.0° |
| C09 | C08 | S07 | C06 | 100.3° | 174.9° |
| C08 | C09 | C14 | H9 | 134.4° | 55.0° |
| C08 | C09 | C14 | H10 | 18.6° | 65.0° |
| C09 | C08 | H18 | H19 | 118.4° | 120.0° |
| C08 | C09 | N10 | H43 | 106.5° | 120.0° |
| C25 | C23 | C01 | C02 | 72.0° | 90.0° |
| C25 | C23 | C26 | H6 | 179.6° | 179.7° |
| C25 | C23 | C01 | H11 | 167.3° | 150.1° |
| C25 | C23 | C01 | H12 | 48.6° | 30.0° |
| C23 | C01 | C02 | H11 | 120.6° | 120.0° |
| C23 | C01 | C02 | H12 | 120.6° | 120.1° |
| C23 | C01 | C02 | C03 | 33.3° | 180.0° |
| C01 | C23 | C25 | H5 | 0.0° | 0.0° |
| C01 | C23 | C26 | H6 | 0.1° | 0.1° |
| C23 | C01 | H11 | H12 | 118.1° | 120.1° |
| C23 | C01 | C02 | H13 | 154.0° | 60.0° |
| C23 | C01 | C02 | H14 | 87.4° | 60.0° |
| C08 | S07 | C06 | C05 | 34.3° | 171.9° |
| C08 | S07 | C06 | C13 | 153.8° | 68.1° |
| C08 | S07 | C06 | H17 | 88.2° | 51.9° |
| S07 | C08 | H18 | H19 | 118.5° | 120.1° |
| S07 | C08 | C09 | H20 | 164.3° | 55.0° |
| C03 | N04 | C05 | H42 | 180.0° | 180.0° |
| N04 | C03 | C02 | C01 | 84.1° | 180.0° |
| N04 | C03 | C02 | H15 | 120.0° | 120.0° |
| N04 | C03 | C02 | H16 | 120.0° | 120.0° |
| C03 | N04 | C05 | C06 | 179.5° | 180.0° |
| C03 | N04 | C05 | O12 | 0.2° | 0.0° |
| N04 | C03 | C02 | H13 | 36.6° | 60.0° |
| N04 | C03 | C02 | H14 | 155.2° | 60.0° |
| N04 | C03 | H15 | H16 | 120.1° | 120.0° |
| C05 | N04 | C03 | C02 | 86.9° | 180.0° |
| N04 | C05 | C06 | S07 | 116.7° | 155.0° |
| N04 | C05 | C06 | O12 | 179.3° | 180.0° |
| N04 | C05 | C06 | C13 | 126.6° | 85.0° |
| C05 | N04 | C03 | H15 | 153.1° | 60.0° |
| C05 | N04 | C03 | H16 | 33.0° | 60.0° |
| N04 | C05 | C06 | H17 | 3.9° | 35.0° |
| C01 | C02 | C03 | H13 | 120.7° | 120.0° |
| C01 | C02 | C03 | H14 | 120.7° | 120.0° |
| C02 | C01 | H11 | H12 | 118.0° | 120.0° |
| C01 | C02 | H13 | H14 | 117.9° | 120.0° |
| C01 | C02 | C03 | H15 | 35.9° | 60.0° |
| C01 | C02 | C03 | H16 | 155.9° | 60.0° |
| C03 | C02 | C01 | H11 | 87.3° | 60.0° |
| C03 | C02 | C01 | H12 | 154.0° | 60.0° |
| C03 | C02 | H13 | H14 | 117.9° | 120.0° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C02 | C03 | N04 | H42 | 93.0° | 0.0° |
| S07 | C06 | C05 | C13 | 116.8° | 120.0° |
| S07 | C06 | C05 | H17 | 120.6° | 120.0° |
| S07 | C06 | C13 | H17 | 115.7° | 120.0° |
| S07 | C06 | C05 | O12 | 64.0° | 25.0° |
| S07 | C06 | C13 | C32 | 174.7° | 174.2° |
| S07 | C06 | C13 | H7 | 64.3° | 65.8° |
| S07 | C06 | C13 | H8 | 53.7° | 54.2° |
| C06 | S07 | C08 | H18 | 20.2° | 65.1° |
| C06 | S07 | C08 | H19 | 139.1° | 54.9° |
| C05 | C06 | C13 | H17 | 122.6° | 120.0° |
| C05 | C06 | C13 | C32 | 63.6° | 65.8° |
| C05 | C06 | C13 | H7 | 57.4° | 54.2° |
| C05 | C06 | C13 | H8 | 175.3° | 174.2° |
| C06 | C05 | N04 | H42 | 0.4° | 0.1° |
| C13 | C06 | C05 | O12 | 52.8° | 95.0° |
| C06 | C13 | C32 | C34 | 98.1° | 83.8° |
| C06 | C13 | C32 | H7 | 121.0° | 120.0° |
| C06 | C13 | C32 | H8 | 121.0° | 120.0° |
| C06 | C13 | C32 | C33 | 83.4° | 96.5° |
| C06 | C13 | H7 | H8 | 116.8° | 120.0° |
| O12 | C05 | C06 | H17 | 175.4° | 145.0° |
| O12 | C05 | N04 | H42 | 179.8° | 180.0° |
| C35 | C34 | C32 | H33 | 180.0° | 179.9° |
| C35 | C34 | C32 | C13 | 179.3° | 180.0° |
| C34 | C35 | C36 | H34 | 180.0° | 180.0° |
| C35 | C34 | C32 | C33 | 0.7° | 0.3° |
| C34 | C35 | C36 | C37 | 0.6° | 0.3° |
| C34 | C35 | C36 | H35 | 179.4° | 180.0° |
| C34 | C32 | C13 | C33 | 178.6° | 179.7° |
| C32 | C34 | C35 | C36 | 0.6° | 0.0° |
| C34 | C32 | C33 | C37 | 0.8° | 0.3° |
| C34 | C32 | C13 | H7 | 140.9° | 156.2° |
| C34 | C32 | C13 | H8 | 22.9° | 36.2° |
| C34 | C32 | C33 | H32 | 179.2° | 179.8° |
| C32 | C34 | C35 | H34 | 179.4° | 179.9° |
| C13 | C32 | C33 | C37 | 179.4° | 180.0° |
| C32 | C13 | H7 | H8 | 116.8° | 120.0° |
| C32 | C13 | C06 | H17 | 59.0° | 54.2° |
| C13 | C32 | C33 | H32 | 0.7° | 0.1° |
| C13 | C32 | C34 | H33 | 0.7° | 0.1° |
| C35 | C36 | C37 | H35 | 180.0° | 179.6° |
| C35 | C36 | C37 | C33 | 0.7° | 0.3° |
| C36 | C35 | C34 | H33 | 179.4° | 180.0° |
| C35 | C36 | C37 | H36 | 179.3° | 179.7° |
| C32 | C33 | C37 | C36 | 0.8° | 0.1° |
| C32 | C33 | C37 | H32 | 180.0° | 179.9° |
| C33 | C32 | C13 | H7 | 37.7° | 23.5° |
| C33 | C32 | C13 | H8 | 155.6° | 143.5° |
| C33 | C32 | C34 | H33 | 179.3° | 179.6° |
| C32 | C33 | C37 | H36 | 179.2° | 179.9° |
| C36 | C37 | C33 | H36 | 180.0° | 180.0° |
| C36 | C37 | C33 | H32 | 179.2° | 180.0° |
| C37 | C36 | C35 | H34 | 179.4° | 179.6° |
| C33 | C37 | C36 | H35 | 179.3° | 179.9° |
| H1 | C16 | C20 | H4 | 0.1° | 0.2° |
| H2 | C17 | C18 | H3 | 0.0° | 0.1° |
| H6 | C26 | C27 | H21 | 0.2° | 0.1° |
| H7 | C13 | C06 | H17 | 180.0° | 174.2° |
| H8 | C13 | C06 | H17 | 62.1° | 65.8° |
| H9 | C14 | C09 | H20 | 19.4° | 64.9° |
| H10 | C14 | C09 | H20 | 96.5° | 175.0° |
| H11 | C01 | C02 | H13 | 33.4° | 179.9° |
| H11 | C01 | C02 | H14 | 152.0° | 60.0° |
| H12 | C01 | C02 | H13 | 85.4° | 60.1° |
| H12 | C01 | C02 | H14 | 33.3° | 180.0° |
| H13 | C02 | C03 | H15 | 156.5° | 180.0° |
| H13 | C02 | C03 | H16 | 83.4° | 60.0° |
| H14 | C02 | C03 | H15 | 84.8° | 60.0° |
| H14 | C02 | C03 | H16 | 35.3° | 180.0° |
| H15 | C03 | N04 | H42 | 26.9° | 120.0° |
| H16 | C03 | N04 | H42 | 147.0° | 120.0° |
| H18 | C08 | C09 | H20 | 75.1° | 65.0° |
| H19 | C08 | C09 | H20 | 43.8° | 175.0° |
| H20 | C09 | N10 | H43 | 139.7° | 0.0° |
| H21 | C27 | C28 | H22 | 0.0° | 0.1° |
| H23 | C29 | H24 | H25 | 120.0° | 120.0° |
| H26 | C30 | H27 | H28 | 120.0° | 120.0° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
| H32 | C33 | C37 | H36 | 0.8° | 0.0° |
| H33 | C34 | C35 | H34 | 0.6° | 0.0° |
| H34 | C35 | C36 | H35 | 0.6° | 0.0° |
| H35 | C36 | C37 | H36 | 0.7° | 0.1° |
| H37 | C39 | C40 | H38 | 0.0° | 0.0° |
| H38 | C40 | C41 | H39 | 0.1° | 0.2° |
| H39 | C41 | C42 | H40 | 0.1° | 0.2° |
| H40 | C42 | C43 | H41 | 0.0° | 0.2° |
