A1A4S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N37 | C36 | sing | 1.38Å | 1.34Å | Aromatic |
| N37 | C38 | sing | 1.37Å | 1.34Å | Aromatic |
| C42 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.41Å | 1.40Å | Aromatic |
| C38 | C21 | doub | 1.34Å | 1.40Å | Aromatic |
| C41 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | N31 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C21 | sing | 1.46Å | 1.41Å | Aromatic |
| C35 | C39 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C27 | N28 | sing | 1.32Å | 1.34Å | Aromatic |
| N31 | C30 | doub | 1.32Å | 1.34Å | Aromatic |
| C34 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C40 | C39 | sing | 1.37Å | 1.39Å | Aromatic |
| C30 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C11 | sing | 1.48Å | 1.56Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| O22 | C11 | doub | 1.22Å | 1.20Å | |
| C20 | C09 | sing | 1.53Å | 1.54Å | |
| N28 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N10 | sing | 1.35Å | 1.49Å | |
| N10 | C09 | sing | 1.46Å | 1.49Å | |
| C24 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C01 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | S07 | sing | 1.81Å | 1.84Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| N04 | C03 | sing | 1.46Å | 1.47Å | |
| N04 | C05 | sing | 1.35Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C15 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C06 | S07 | sing | 1.81Å | 1.83Å | |
| C06 | C13 | sing | 1.53Å | 1.54Å | |
| C05 | O12 | doub | 1.21Å | 1.20Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C14 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| C40 | H30 | sing | 1.08Å | 1.08Å | |
| C41 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.08Å | 1.08Å | |
| N04 | H33 | sing | 0.97Å | 1.00Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å | |
| N37 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N37 | C38 | 110.6° | 109.9° |
| N37 | C36 | C42 | 132.5° | 133.5° |
| N37 | C36 | C35 | 108.1° | 107.1° |
| C36 | N37 | H35 | 124.7° | 125.1° |
| N37 | C38 | C21 | 108.3° | 109.9° |
| N37 | C38 | H28 | 125.9° | 125.0° |
| C38 | N37 | H35 | 124.7° | 125.0° |
| C36 | C42 | C41 | 121.0° | 119.8° |
| C42 | C36 | C35 | 119.3° | 119.3° |
| C36 | C42 | H32 | 119.5° | 120.1° |
| C42 | C41 | C40 | 120.0° | 120.7° |
| C42 | C41 | H31 | 120.0° | 119.6° |
| C41 | C42 | H32 | 119.5° | 120.1° |
| C36 | C35 | C21 | 106.6° | 106.1° |
| C36 | C35 | C39 | 119.0° | 119.9° |
| C38 | C21 | C35 | 106.4° | 107.0° |
| C38 | C21 | C20 | 124.2° | 126.4° |
| C21 | C38 | H28 | 125.9° | 125.1° |
| C41 | C40 | C39 | 118.7° | 120.5° |
| C41 | C40 | H30 | 120.6° | 119.8° |
| C40 | C41 | H31 | 120.0° | 119.7° |
| C33 | C32 | N31 | 120.9° | 121.1° |
| C32 | C33 | C34 | 117.9° | 119.3° |
| C33 | C32 | H25 | 119.5° | 119.5° |
| C32 | C33 | H26 | 121.0° | 120.4° |
| C32 | N31 | C30 | 122.3° | 121.9° |
| N31 | C32 | H25 | 119.6° | 119.4° |
| C27 | C26 | C25 | 119.5° | 119.2° |
| C26 | C27 | N28 | 120.3° | 120.7° |
| C27 | C26 | H21 | 120.2° | 120.4° |
| C26 | C27 | H22 | 119.9° | 119.6° |
| C26 | C25 | C24 | 118.0° | 118.4° |
| C26 | C25 | H20 | 121.0° | 120.8° |
| C25 | C26 | H21 | 120.3° | 120.4° |
| C33 | C34 | C23 | 120.4° | 118.3° |
| C34 | C33 | H26 | 121.1° | 120.3° |
| C33 | C34 | H27 | 119.8° | 120.9° |
| C21 | C35 | C39 | 134.4° | 134.0° |
| C35 | C21 | C20 | 129.4° | 126.6° |
| C35 | C39 | C40 | 121.9° | 119.8° |
| C35 | C39 | H29 | 119.1° | 120.1° |
| C21 | C20 | C09 | 115.7° | 109.5° |
| C21 | C20 | H8 | 107.9° | 109.5° |
| C21 | C20 | H9 | 107.9° | 109.5° |
| C27 | N28 | C29 | 122.4° | 121.8° |
| N28 | C27 | H22 | 119.8° | 119.6° |
| N31 | C30 | C23 | 120.4° | 120.6° |
| N31 | C30 | H24 | 119.8° | 119.7° |
| C34 | C23 | C30 | 118.1° | 118.8° |
| C34 | C23 | C11 | 116.5° | 120.6° |
| C23 | C34 | H27 | 119.8° | 120.8° |
| C40 | C39 | H29 | 119.1° | 120.1° |
| C39 | C40 | H30 | 120.7° | 119.7° |
| C30 | C23 | C11 | 125.4° | 120.6° |
| C23 | C30 | H24 | 119.8° | 119.7° |
| C23 | C11 | O22 | 112.8° | 119.9° |
| C23 | C11 | N10 | 132.0° | 120.0° |
| C25 | C24 | C29 | 120.2° | 119.2° |
| C25 | C24 | C01 | 119.7° | 120.4° |
| C24 | C25 | H20 | 121.0° | 120.8° |
| O22 | C11 | N10 | 115.2° | 120.1° |
| C20 | C09 | N10 | 112.4° | 109.5° |
| C20 | C09 | C08 | 110.9° | 109.5° |
| C09 | C20 | H8 | 107.9° | 109.4° |
| C09 | C20 | H9 | 107.9° | 109.5° |
| C20 | C09 | H19 | 106.4° | 109.5° |
| N28 | C29 | C24 | 119.6° | 120.7° |
| N28 | C29 | H23 | 120.2° | 119.6° |
| C11 | N10 | C09 | 134.8° | 120.0° |
| C11 | N10 | H34 | 112.6° | 120.0° |
| N10 | C09 | C08 | 113.3° | 109.4° |
| N10 | C09 | H19 | 107.0° | 109.5° |
| C09 | N10 | H34 | 112.6° | 120.0° |
| C29 | C24 | C01 | 120.1° | 120.4° |
| C24 | C29 | H23 | 120.2° | 119.6° |
| C24 | C01 | C02 | 114.2° | 109.5° |
| C24 | C01 | H10 | 108.3° | 109.4° |
| C24 | C01 | H11 | 108.3° | 109.5° |
| C09 | C08 | S07 | 113.7° | 109.5° |
| C09 | C08 | H17 | 108.4° | 109.4° |
| C09 | C08 | H18 | 108.4° | 109.5° |
| C08 | C09 | H19 | 106.3° | 109.4° |
| C08 | S07 | C06 | 117.2° | 103.0° |
| S07 | C08 | H17 | 108.4° | 109.5° |
| S07 | C08 | H18 | 108.4° | 109.5° |
| C01 | C02 | C03 | 113.6° | 109.5° |
| C02 | C01 | H10 | 108.3° | 109.5° |
| C02 | C01 | H11 | 108.3° | 109.5° |
| C01 | C02 | H12 | 108.4° | 109.4° |
| C01 | C02 | H13 | 108.5° | 109.4° |
| C03 | N04 | C05 | 120.0° | 120.0° |
| N04 | C03 | C02 | 112.5° | 109.5° |
| N04 | C03 | H14 | 108.7° | 109.4° |
| N04 | C03 | H15 | 108.7° | 109.5° |
| C03 | N04 | H33 | 120.0° | 120.0° |
| N04 | C05 | C06 | 122.3° | 119.9° |
| N04 | C05 | O12 | 118.6° | 120.0° |
| C05 | N04 | H33 | 120.0° | 120.0° |
| C03 | C02 | H12 | 108.5° | 109.5° |
| C03 | C02 | H13 | 108.4° | 109.5° |
| C02 | C03 | H14 | 108.7° | 109.5° |
| C02 | C03 | H15 | 108.7° | 109.5° |
| C19 | C15 | C16 | 120.1° | 120.0° |
| C15 | C19 | C14 | 120.0° | 120.0° |
| C19 | C15 | H3 | 120.0° | 120.0° |
| C15 | C19 | H7 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H3 | 120.0° | 120.0° |
| C15 | C16 | H4 | 120.0° | 120.0° |
| C19 | C14 | C13 | 120.0° | 120.0° |
| C19 | C14 | C18 | 119.8° | 120.0° |
| C14 | C19 | H7 | 120.0° | 120.0° |
| C05 | C06 | S07 | 110.9° | 109.4° |
| C05 | C06 | C13 | 107.7° | 109.5° |
| C06 | C05 | O12 | 119.1° | 120.0° |
| C05 | C06 | H16 | 110.7° | 109.5° |
| S07 | C06 | C13 | 109.5° | 109.5° |
| S07 | C06 | H16 | 107.3° | 109.5° |
| C06 | C13 | C14 | 112.8° | 109.5° |
| C06 | C13 | H1 | 108.6° | 109.5° |
| C06 | C13 | H2 | 108.6° | 109.5° |
| C13 | C06 | H16 | 110.7° | 109.5° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | H4 | 120.0° | 119.9° |
| C16 | C17 | H5 | 120.1° | 120.0° |
| C13 | C14 | C18 | 120.2° | 120.0° |
| C14 | C13 | H1 | 108.6° | 109.5° |
| C14 | C13 | H2 | 108.7° | 109.5° |
| C14 | C18 | C17 | 120.3° | 120.0° |
| C14 | C18 | H6 | 119.9° | 120.0° |
| C18 | C17 | H5 | 120.1° | 120.0° |
| C17 | C18 | H6 | 119.9° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C02 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.4° | 109.5° |
| H17 | C08 | H18 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | N37 | C38 | H35 | 180.0° | 179.8° |
| N37 | C36 | C42 | C35 | 179.9° | 180.0° |
| N37 | C36 | C42 | C41 | 179.7° | 180.0° |
| C36 | N37 | C38 | C21 | 0.0° | 0.4° |
| N37 | C36 | C35 | C21 | 0.1° | 0.0° |
| N37 | C36 | C35 | C39 | 179.9° | 180.0° |
| C36 | N37 | C38 | H28 | 180.0° | 179.7° |
| N37 | C36 | C42 | H32 | 0.3° | 0.0° |
| C38 | N37 | C36 | C42 | 180.0° | 179.8° |
| C38 | N37 | C36 | C35 | 0.1° | 0.2° |
| N37 | C38 | C21 | H28 | 180.0° | 179.9° |
| N37 | C38 | C21 | C35 | 0.1° | 0.4° |
| N37 | C38 | C21 | C20 | 179.9° | 179.9° |
| C36 | C42 | C41 | H32 | 180.0° | 180.0° |
| C36 | C42 | C41 | C40 | 0.7° | 0.1° |
| C42 | C36 | C35 | C21 | 180.0° | 180.0° |
| C42 | C36 | C35 | C39 | 0.0° | 0.0° |
| C36 | C42 | C41 | H31 | 179.3° | 179.9° |
| C42 | C36 | N37 | H35 | 0.0° | 0.0° |
| C41 | C42 | C36 | C35 | 0.4° | 0.1° |
| C42 | C41 | C40 | H31 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.5° | 0.1° |
| C42 | C41 | C40 | H30 | 179.5° | 180.0° |
| C36 | C35 | C21 | C38 | 0.1° | 0.2° |
| C36 | C35 | C21 | C39 | 180.0° | 180.0° |
| C36 | C35 | C21 | C20 | 179.9° | 180.0° |
| C36 | C35 | C39 | C40 | 0.2° | 0.0° |
| C36 | C35 | C39 | H29 | 179.8° | 180.0° |
| C35 | C36 | C42 | H32 | 179.6° | 179.9° |
| C35 | C36 | N37 | H35 | 179.9° | 180.0° |
| C38 | C21 | C35 | C20 | 179.8° | 179.8° |
| C38 | C21 | C35 | C39 | 179.9° | 179.8° |
| C38 | C21 | C20 | C09 | 164.4° | 95.3° |
| C38 | C21 | C20 | H8 | 74.7° | 144.7° |
| C38 | C21 | C20 | H9 | 43.5° | 24.7° |
| C21 | C38 | N37 | H35 | 180.0° | 179.8° |
| C41 | C40 | C39 | C35 | 0.0° | 0.0° |
| C41 | C40 | C39 | H30 | 180.0° | 180.0° |
| C41 | C40 | C39 | H29 | 180.0° | 180.0° |
| C40 | C41 | C42 | H32 | 179.3° | 179.9° |
| C33 | C32 | N31 | H25 | 180.0° | 179.8° |
| C32 | C33 | C34 | H26 | 180.0° | 179.9° |
| C33 | C32 | N31 | C30 | 0.0° | 0.3° |
| C32 | C33 | C34 | C23 | 0.4° | 0.0° |
| C32 | C33 | C34 | H27 | 179.6° | 179.9° |
| N31 | C32 | C33 | C34 | 0.1° | 0.2° |
| C32 | N31 | C30 | C23 | 0.4° | 0.1° |
| C32 | N31 | C30 | H24 | 179.6° | 180.0° |
| N31 | C32 | C33 | H26 | 179.9° | 179.9° |
| C27 | C26 | C25 | H21 | 180.0° | 180.0° |
| C26 | C27 | N28 | H22 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C26 | C27 | N28 | C29 | 0.1° | 0.1° |
| C27 | C26 | C25 | H20 | 179.8° | 180.0° |
| C25 | C26 | C27 | N28 | 0.0° | 0.1° |
| C26 | C25 | C24 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.3° | 0.0° |
| C26 | C25 | C24 | C01 | 180.0° | 179.7° |
| C25 | C26 | C27 | H22 | 180.0° | 180.0° |
| C33 | C34 | C23 | H27 | 180.0° | 180.0° |
| C33 | C34 | C23 | C30 | 0.8° | 0.2° |
| C33 | C34 | C23 | C11 | 179.2° | 180.0° |
| C34 | C33 | C32 | H25 | 179.9° | 180.0° |
| C21 | C35 | C39 | C40 | 179.8° | 180.0° |
| C35 | C21 | C20 | C09 | 15.9° | 85.0° |
| C35 | C21 | C20 | H8 | 105.0° | 35.0° |
| C35 | C21 | C20 | H9 | 136.8° | 155.0° |
| C35 | C21 | C38 | H28 | 179.9° | 179.7° |
| C21 | C35 | C39 | H29 | 0.2° | 0.0° |
| C39 | C35 | C21 | C20 | 0.0° | 0.0° |
| C35 | C39 | C40 | H29 | 180.0° | 180.0° |
| C35 | C39 | C40 | H30 | 180.0° | 180.0° |
| C21 | C20 | C09 | H8 | 120.9° | 120.0° |
| C21 | C20 | C09 | H9 | 120.9° | 120.0° |
| C21 | C20 | C09 | N10 | 59.1° | 65.0° |
| C21 | C20 | C09 | C08 | 173.0° | 175.0° |
| C21 | C20 | H8 | H9 | 117.1° | 120.0° |
| C21 | C20 | C09 | H19 | 57.8° | 55.1° |
| C20 | C21 | C38 | H28 | 0.1° | 0.0° |
| C27 | N28 | C29 | C24 | 0.2° | 0.1° |
| N28 | C27 | C26 | H21 | 180.0° | 179.9° |
| C27 | N28 | C29 | H23 | 179.8° | 179.8° |
| N31 | C30 | C23 | C34 | 0.7° | 0.2° |
| N31 | C30 | C23 | H24 | 180.0° | 180.0° |
| N31 | C30 | C23 | C11 | 179.0° | 179.9° |
| C30 | N31 | C32 | H25 | 180.0° | 180.0° |
| C34 | C23 | C30 | C11 | 178.3° | 179.7° |
| C34 | C23 | C11 | O22 | 10.6° | 0.6° |
| C34 | C23 | C11 | N10 | 170.6° | 179.7° |
| C34 | C23 | C30 | H24 | 179.3° | 179.8° |
| C23 | C34 | C33 | H26 | 179.6° | 179.8° |
| C39 | C40 | C41 | H31 | 179.5° | 179.9° |
| C30 | C23 | C11 | O22 | 167.7° | 179.7° |
| C30 | C23 | C11 | N10 | 11.0° | 0.0° |
| C30 | C23 | C34 | H27 | 179.2° | 179.7° |
| C23 | C11 | O22 | N10 | 179.0° | 179.7° |
| C23 | C11 | N10 | C09 | 2.0° | 180.0° |
| C11 | C23 | C30 | H24 | 0.9° | 0.0° |
| C11 | C23 | C34 | H27 | 0.8° | 0.0° |
| C23 | C11 | N10 | H34 | 178.1° | 0.0° |
| C25 | C24 | C29 | N28 | 0.3° | 0.0° |
| C25 | C24 | C29 | C01 | 179.7° | 179.7° |
| C25 | C24 | C01 | C02 | 107.7° | 89.7° |
| C25 | C24 | C01 | H10 | 13.0° | 150.3° |
| C25 | C24 | C01 | H11 | 131.6° | 30.3° |
| C24 | C25 | C26 | H21 | 179.9° | 180.0° |
| C25 | C24 | C29 | H23 | 179.7° | 179.7° |
| O22 | C11 | N10 | C09 | 179.3° | 0.3° |
| O22 | C11 | N10 | H34 | 0.7° | 179.7° |
| C20 | C09 | N10 | C11 | 59.0° | 60.0° |
| C20 | C09 | N10 | C08 | 126.7° | 120.0° |
| C20 | C09 | N10 | H19 | 116.5° | 120.0° |
| C20 | C09 | C08 | H19 | 115.3° | 120.0° |
| C20 | C09 | C08 | S07 | 172.2° | 175.0° |
| C09 | C20 | H8 | H9 | 117.2° | 120.0° |
| C20 | C09 | C08 | H17 | 51.5° | 55.0° |
| C20 | C09 | C08 | H18 | 67.2° | 65.0° |
| C20 | C09 | N10 | H34 | 121.0° | 120.0° |
| N28 | C29 | C24 | H23 | 180.0° | 179.7° |
| N28 | C29 | C24 | C01 | 180.0° | 179.7° |
| C29 | N28 | C27 | H22 | 180.0° | 180.0° |
| C11 | N10 | C09 | H34 | 180.0° | 180.0° |
| C11 | N10 | C09 | C08 | 67.7° | 60.0° |
| C11 | N10 | C09 | H19 | 175.5° | 180.0° |
| N10 | C09 | C08 | H19 | 117.3° | 120.0° |
| N10 | C09 | C08 | S07 | 60.4° | 65.0° |
| N10 | C09 | C20 | H8 | 179.9° | 55.0° |
| N10 | C09 | C20 | H9 | 61.8° | 175.0° |
| N10 | C09 | C08 | H17 | 179.0° | 175.0° |
| N10 | C09 | C08 | H18 | 60.3° | 55.1° |
| C29 | C24 | C01 | C02 | 72.6° | 90.0° |
| C29 | C24 | C01 | H10 | 166.7° | 30.0° |
| C29 | C24 | C01 | H11 | 48.1° | 150.0° |
| C29 | C24 | C25 | H20 | 179.7° | 180.0° |
| C24 | C01 | C02 | H10 | 120.7° | 120.0° |
| C24 | C01 | C02 | H11 | 120.7° | 120.1° |
| C24 | C01 | C02 | C03 | 33.5° | 179.9° |
| C24 | C01 | H10 | H11 | 117.8° | 120.0° |
| C24 | C01 | C02 | H12 | 154.1° | 60.0° |
| C24 | C01 | C02 | H13 | 87.1° | 60.0° |
| C01 | C24 | C25 | H20 | 0.0° | 0.3° |
| C01 | C24 | C29 | H23 | 0.0° | 0.0° |
| C09 | C08 | S07 | H17 | 120.6° | 120.0° |
| C09 | C08 | S07 | H18 | 120.6° | 120.0° |
| C09 | C08 | S07 | C06 | 37.4° | 174.9° |
| C08 | C09 | C20 | H8 | 52.1° | 65.0° |
| C08 | C09 | C20 | H9 | 66.1° | 55.0° |
| C09 | C08 | H17 | H18 | 118.1° | 119.9° |
| C08 | C09 | N10 | H34 | 112.3° | 120.0° |
| C08 | S07 | C06 | C05 | 96.1° | 172.0° |
| C08 | S07 | C06 | C13 | 145.2° | 68.1° |
| C08 | S07 | C06 | H16 | 25.0° | 51.9° |
| S07 | C08 | H17 | H18 | 118.1° | 120.0° |
| S07 | C08 | C09 | H19 | 56.9° | 55.0° |
| C01 | C02 | C03 | N04 | 103.7° | 180.0° |
| C01 | C02 | C03 | H12 | 120.6° | 119.9° |
| C01 | C02 | C03 | H13 | 120.6° | 120.0° |
| C02 | C01 | H10 | H11 | 117.9° | 120.0° |
| C01 | C02 | H12 | H13 | 118.2° | 120.0° |
| C01 | C02 | C03 | H14 | 16.8° | 60.1° |
| C01 | C02 | C03 | H15 | 135.8° | 60.0° |
| C03 | N04 | C05 | H33 | 180.0° | 180.0° |
| N04 | C03 | C02 | H14 | 120.5° | 119.9° |
| N04 | C03 | C02 | H15 | 120.5° | 120.0° |
| C03 | N04 | C05 | C06 | 179.7° | 180.0° |
| C03 | N04 | C05 | O12 | 1.0° | 0.0° |
| N04 | C03 | C02 | H12 | 16.9° | 60.1° |
| N04 | C03 | C02 | H13 | 135.7° | 60.0° |
| N04 | C03 | H14 | H15 | 118.6° | 120.0° |
| C05 | N04 | C03 | C02 | 77.8° | 180.0° |
| N04 | C05 | C06 | O12 | 179.3° | 180.0° |
| N04 | C05 | C06 | S07 | 117.0° | 155.0° |
| N04 | C05 | C06 | C13 | 123.2° | 85.0° |
| C05 | N04 | C03 | H14 | 161.7° | 60.0° |
| C05 | N04 | C03 | H15 | 42.6° | 60.0° |
| N04 | C05 | C06 | H16 | 2.0° | 35.0° |
| C03 | C02 | C01 | H10 | 87.2° | 60.0° |
| C03 | C02 | C01 | H11 | 154.1° | 60.0° |
| C03 | C02 | H12 | H13 | 118.1° | 120.1° |
| C02 | C03 | H14 | H15 | 118.6° | 120.1° |
| C02 | C03 | N04 | H33 | 102.1° | 0.0° |
| C19 | C15 | C16 | H3 | 180.0° | 179.9° |
| C15 | C19 | C14 | H7 | 180.0° | 179.9° |
| C19 | C15 | C16 | C17 | 0.0° | 0.4° |
| C15 | C19 | C14 | C13 | 180.0° | 180.0° |
| C15 | C19 | C14 | C18 | 0.1° | 0.2° |
| C19 | C15 | C16 | H4 | 180.0° | 180.0° |
| C16 | C15 | C19 | C14 | 0.0° | 0.1° |
| C15 | C16 | C17 | H4 | 180.0° | 179.6° |
| C15 | C16 | C17 | C18 | 0.1° | 0.4° |
| C15 | C16 | C17 | H5 | 179.9° | 180.0° |
| C16 | C15 | C19 | H7 | 180.0° | 180.0° |
| C19 | C14 | C13 | C06 | 69.4° | 83.7° |
| C19 | C14 | C13 | C18 | 179.9° | 179.8° |
| C19 | C14 | C18 | C17 | 0.2° | 0.2° |
| C19 | C14 | C13 | H1 | 170.1° | 36.3° |
| C19 | C14 | C13 | H2 | 51.1° | 156.2° |
| C14 | C19 | C15 | H3 | 180.0° | 180.0° |
| C19 | C14 | C18 | H6 | 179.8° | 179.7° |
| C05 | C06 | S07 | C13 | 118.7° | 120.0° |
| C05 | C06 | S07 | H16 | 121.1° | 120.1° |
| C05 | C06 | C13 | H16 | 121.2° | 120.1° |
| C05 | C06 | C13 | C14 | 65.8° | 65.8° |
| C05 | C06 | C13 | H1 | 54.6° | 174.2° |
| C05 | C06 | C13 | H2 | 173.6° | 54.2° |
| C06 | C05 | N04 | H33 | 0.3° | 0.1° |
| S07 | C06 | C13 | H16 | 118.1° | 120.0° |
| S07 | C06 | C05 | O12 | 63.7° | 25.0° |
| S07 | C06 | C13 | C14 | 173.5° | 174.2° |
| S07 | C06 | C13 | H1 | 66.1° | 54.2° |
| S07 | C06 | C13 | H2 | 52.9° | 65.7° |
| C06 | S07 | C08 | H17 | 158.0° | 65.1° |
| C06 | S07 | C08 | H18 | 83.2° | 54.9° |
| C13 | C06 | C05 | O12 | 56.1° | 95.0° |
| C06 | C13 | C14 | H1 | 120.5° | 120.0° |
| C06 | C13 | C14 | H2 | 120.5° | 120.0° |
| C06 | C13 | C14 | C18 | 110.6° | 96.4° |
| C06 | C13 | H1 | H2 | 118.5° | 120.0° |
| O12 | C05 | C06 | H16 | 177.3° | 145.0° |
| O12 | C05 | N04 | H33 | 179.0° | 180.0° |
| C16 | C17 | C18 | C14 | 0.2° | 0.1° |
| C16 | C17 | C18 | H5 | 180.0° | 179.7° |
| C17 | C16 | C15 | H3 | 180.0° | 179.7° |
| C16 | C17 | C18 | H6 | 179.8° | 180.0° |
| C13 | C14 | C18 | C17 | 179.9° | 180.0° |
| C14 | C13 | H1 | H2 | 118.5° | 120.0° |
| C13 | C14 | C18 | H6 | 0.1° | 0.1° |
| C13 | C14 | C19 | H7 | 0.0° | 0.1° |
| C14 | C13 | C06 | H16 | 55.3° | 54.3° |
| C14 | C18 | C17 | H6 | 180.0° | 179.9° |
| C18 | C14 | C13 | H1 | 9.8° | 143.5° |
| C18 | C14 | C13 | H2 | 128.9° | 23.6° |
| C14 | C18 | C17 | H5 | 179.8° | 179.7° |
| C18 | C14 | C19 | H7 | 180.0° | 179.7° |
| C18 | C17 | C16 | H4 | 179.9° | 180.0° |
| H1 | C13 | C06 | H16 | 175.8° | 65.8° |
| H2 | C13 | C06 | H16 | 65.2° | 174.3° |
| H3 | C15 | C16 | H4 | 0.0° | 0.1° |
| H3 | C15 | C19 | H7 | 0.0° | 0.1° |
| H4 | C16 | C17 | H5 | 0.1° | 0.3° |
| H5 | C17 | C18 | H6 | 0.2° | 0.3° |
| H8 | C20 | C09 | H19 | 63.1° | 175.0° |
| H9 | C20 | C09 | H19 | 178.7° | 65.0° |
| H10 | C01 | C02 | H12 | 33.4° | 60.0° |
| H10 | C01 | C02 | H13 | 152.2° | 180.0° |
| H11 | C01 | C02 | H12 | 85.3° | 179.9° |
| H11 | C01 | C02 | H13 | 33.5° | 60.0° |
| H12 | C02 | C03 | H14 | 137.3° | 180.0° |
| H12 | C02 | C03 | H15 | 103.6° | 60.0° |
| H13 | C02 | C03 | H14 | 103.9° | 59.9° |
| H13 | C02 | C03 | H15 | 15.2° | 180.0° |
| H14 | C03 | N04 | H33 | 18.3° | 120.0° |
| H15 | C03 | N04 | H33 | 137.4° | 120.1° |
| H17 | C08 | C09 | H19 | 63.8° | 65.0° |
| H18 | C08 | C09 | H19 | 177.5° | 175.0° |
| H19 | C09 | N10 | H34 | 4.5° | 0.0° |
| H20 | C25 | C26 | H21 | 0.2° | 0.0° |
| H21 | C26 | C27 | H22 | 0.0° | 0.0° |
| H25 | C32 | C33 | H26 | 0.1° | 0.2° |
| H26 | C33 | C34 | H27 | 0.4° | 0.2° |
| H28 | C38 | N37 | H35 | 0.0° | 0.1° |
| H29 | C39 | C40 | H30 | 0.0° | 0.0° |
| H30 | C40 | C41 | H31 | 0.5° | 0.1° |
| H31 | C41 | C42 | H32 | 0.7° | 0.1° |
