A1IAB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | O03 | doub | 1.21Å | 1.18Å | |
| C02 | C04 | sing | 1.47Å | 1.55Å | |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C04 | C28 | sing | 1.42Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C08 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.48Å | |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C05 | N07 | sing | 1.34Å | 1.34Å | Aromatic |
| C15 | C17 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C08 | N07 | sing | 1.38Å | 1.33Å | Aromatic |
| C08 | C09 | sing | 1.47Å | 1.55Å | |
| C12 | N11 | sing | 1.47Å | 1.50Å | |
| C21 | N20 | sing | 1.49Å | 1.51Å | |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C19 | N20 | sing | 1.47Å | 1.21Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C09 | N11 | sing | 1.35Å | 1.47Å | |
| C09 | O10 | doub | 1.22Å | 1.18Å | |
| N11 | C16 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | N27 | doub | 1.31Å | 1.31Å | Aromatic |
| N20 | C24 | sing | 1.48Å | 1.28Å | |
| C18 | C25 | doub | 1.35Å | 1.39Å | Aromatic |
| N27 | N26 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.55Å | 1.25Å | |
| C25 | N26 | sing | 1.35Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.54Å | 1.62Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| N07 | H30 | sing | 0.97Å | 1.00Å | |
| N26 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 117.8° | 120.0° |
| C01 | C02 | C04 | 122.4° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| O03 | C02 | C04 | 119.8° | 120.0° |
| C02 | C04 | C28 | 129.1° | 126.5° |
| C02 | C04 | C05 | 124.4° | 126.5° |
| C29 | C28 | C04 | 128.8° | 126.5° |
| C29 | C28 | C08 | 123.7° | 126.5° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C28 | C29 | H29 | 109.4° | 109.4° |
| C14 | C13 | C12 | 113.0° | 109.4° |
| C13 | C14 | C15 | 113.3° | 109.5° |
| C14 | C13 | H9 | 108.6° | 109.5° |
| C14 | C13 | H10 | 108.6° | 109.5° |
| C13 | C14 | H11 | 108.5° | 109.5° |
| C13 | C14 | H12 | 108.5° | 109.4° |
| C13 | C12 | N11 | 110.7° | 108.8° |
| C13 | C12 | H7 | 109.1° | 109.6° |
| C13 | C12 | H8 | 109.2° | 109.7° |
| C12 | C13 | H9 | 108.6° | 109.5° |
| C12 | C13 | H10 | 108.6° | 109.5° |
| C28 | C04 | C05 | 106.4° | 107.0° |
| C04 | C28 | C08 | 107.5° | 107.0° |
| C04 | C05 | C06 | 127.7° | 125.8° |
| C04 | C05 | N07 | 108.1° | 108.3° |
| C28 | C08 | N07 | 107.6° | 108.4° |
| C28 | C08 | C09 | 127.2° | 125.8° |
| C14 | C15 | C17 | 107.0° | 109.5° |
| C14 | C15 | C16 | 112.8° | 109.3° |
| C15 | C14 | H11 | 108.5° | 109.5° |
| C15 | C14 | H12 | 108.5° | 109.4° |
| C14 | C15 | H13 | 110.2° | 109.5° |
| C06 | C05 | N07 | 124.1° | 125.9° |
| C05 | C06 | H4 | 109.5° | 109.4° |
| C05 | C06 | H5 | 109.4° | 109.4° |
| C05 | C06 | H6 | 109.5° | 109.5° |
| C05 | N07 | C08 | 110.3° | 109.3° |
| C05 | N07 | H30 | 124.8° | 125.3° |
| C17 | C15 | C16 | 107.8° | 109.5° |
| C15 | C17 | C18 | 126.7° | 125.9° |
| C15 | C17 | N27 | 125.7° | 125.9° |
| C17 | C15 | H13 | 109.4° | 109.5° |
| C15 | C16 | N11 | 113.8° | 108.7° |
| C16 | C15 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 108.4° | 109.6° |
| C15 | C16 | H15 | 108.4° | 109.6° |
| N07 | C08 | C09 | 125.2° | 125.8° |
| C08 | N07 | H30 | 124.8° | 125.4° |
| C08 | C09 | N11 | 122.1° | 120.0° |
| C08 | C09 | O10 | 119.8° | 120.0° |
| C12 | N11 | C09 | 126.9° | 120.6° |
| C12 | N11 | C16 | 110.3° | 118.7° |
| N11 | C12 | H7 | 109.2° | 109.6° |
| N11 | C12 | H8 | 109.2° | 109.6° |
| N20 | C21 | C22 | 104.7° | 103.2° |
| C21 | N20 | C19 | 111.0° | 111.0° |
| C21 | N20 | C24 | 105.8° | 105.8° |
| N20 | C21 | H18 | 110.6° | 110.7° |
| N20 | C21 | H19 | 110.7° | 110.6° |
| C21 | C22 | C23 | 105.4° | 102.9° |
| C22 | C21 | H18 | 110.6° | 110.7° |
| C22 | C21 | H19 | 110.6° | 110.7° |
| C21 | C22 | H20 | 110.5° | 110.7° |
| C21 | C22 | H21 | 110.5° | 110.7° |
| N20 | C19 | C18 | 112.1° | 109.5° |
| C19 | N20 | C24 | 112.4° | 111.0° |
| N20 | C19 | H16 | 108.8° | 109.4° |
| N20 | C19 | H17 | 108.8° | 109.5° |
| C19 | C18 | C17 | 127.2° | 126.1° |
| C19 | C18 | C25 | 125.8° | 126.0° |
| C18 | C19 | H16 | 108.8° | 109.5° |
| C18 | C19 | H17 | 108.8° | 109.5° |
| N11 | C09 | O10 | 118.1° | 120.0° |
| C09 | N11 | C16 | 122.8° | 120.6° |
| N11 | C16 | H14 | 108.4° | 109.6° |
| N11 | C16 | H15 | 108.4° | 109.7° |
| C18 | C17 | N27 | 107.6° | 108.2° |
| C17 | C18 | C25 | 106.9° | 107.9° |
| C17 | N27 | N26 | 109.9° | 108.2° |
| N20 | C24 | C23 | 108.8° | 107.0° |
| N20 | C24 | H24 | 109.7° | 110.0° |
| N20 | C24 | H25 | 109.6° | 110.1° |
| C18 | C25 | N26 | 108.0° | 107.8° |
| C18 | C25 | H26 | 126.0° | 126.1° |
| N27 | N26 | C25 | 107.5° | 107.9° |
| N27 | N26 | H32 | 126.3° | 126.0° |
| C22 | C23 | C24 | 107.6° | 105.1° |
| C23 | C22 | H20 | 110.5° | 110.7° |
| C23 | C22 | H21 | 110.5° | 110.7° |
| C22 | C23 | H22 | 110.0° | 110.3° |
| C22 | C23 | H23 | 110.0° | 110.3° |
| N26 | C25 | H26 | 126.0° | 126.1° |
| C25 | N26 | H32 | 126.3° | 126.0° |
| C24 | C23 | H22 | 110.0° | 110.3° |
| C24 | C23 | H23 | 109.9° | 110.4° |
| C23 | C24 | H24 | 109.6° | 109.9° |
| C23 | C24 | H25 | 109.7° | 109.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H4 | C06 | H6 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.6° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 110.7° |
| H20 | C22 | H21 | 109.5° | 110.8° |
| H22 | C23 | H23 | 109.4° | 110.2° |
| H24 | C24 | H25 | 109.5° | 109.9° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H29 | 109.4° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | C04 | 178.5° | 179.9° |
| C01 | C02 | C04 | C28 | 33.4° | 85.1° |
| C01 | C02 | C04 | C05 | 146.1° | 95.2° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O03 | C02 | C04 | C28 | 148.2° | 95.0° |
| O03 | C02 | C04 | C05 | 32.4° | 84.7° |
| O03 | C02 | C01 | H1 | 0.0° | 5.1° |
| O03 | C02 | C01 | H2 | 120.0° | 115.0° |
| O03 | C02 | C01 | H3 | 120.0° | 125.0° |
| C02 | C04 | C28 | C29 | 0.5° | 0.0° |
| C02 | C04 | C28 | C05 | 179.5° | 179.7° |
| C02 | C04 | C28 | C08 | 179.4° | 180.0° |
| C02 | C04 | C05 | C06 | 0.4° | 0.0° |
| C02 | C04 | C05 | N07 | 179.7° | 180.0° |
| C04 | C02 | C01 | H1 | 178.5° | 175.0° |
| C04 | C02 | C01 | H2 | 58.5° | 64.9° |
| C04 | C02 | C01 | H3 | 61.5° | 55.0° |
| C29 | C28 | C04 | C08 | 179.9° | 180.0° |
| C29 | C28 | C04 | C05 | 180.0° | 179.7° |
| C29 | C28 | C08 | N07 | 179.8° | 179.8° |
| C29 | C28 | C08 | C09 | 1.1° | 0.2° |
| C28 | C29 | H27 | H28 | 120.0° | 120.0° |
| C28 | C29 | H27 | H29 | 120.0° | 120.0° |
| C28 | C29 | H28 | H29 | 120.0° | 120.0° |
| C14 | C13 | C12 | H9 | 120.5° | 120.0° |
| C14 | C13 | C12 | H10 | 120.5° | 120.0° |
| C13 | C14 | C15 | H11 | 120.5° | 120.1° |
| C13 | C14 | C15 | H12 | 120.6° | 120.0° |
| C13 | C14 | C15 | C17 | 165.1° | 178.7° |
| C13 | C14 | C15 | C16 | 46.8° | 61.3° |
| C14 | C13 | C12 | N11 | 55.2° | 54.6° |
| C14 | C13 | C12 | H7 | 65.0° | 65.2° |
| C14 | C13 | C12 | H8 | 175.4° | 174.5° |
| C14 | C13 | H9 | H10 | 118.4° | 120.0° |
| C13 | C14 | H11 | H12 | 118.2° | 120.0° |
| C13 | C14 | C15 | H13 | 76.0° | 58.7° |
| C12 | C13 | C14 | C15 | 50.5° | 61.3° |
| C13 | C12 | N11 | H7 | 120.2° | 119.8° |
| C13 | C12 | N11 | H8 | 120.2° | 119.9° |
| C13 | C12 | N11 | C09 | 122.8° | 126.5° |
| C13 | C12 | N11 | C16 | 56.1° | 53.7° |
| C13 | C12 | H7 | H8 | 119.4° | 120.4° |
| C12 | C13 | H9 | H10 | 118.4° | 120.1° |
| C12 | C13 | C14 | H11 | 171.0° | 178.6° |
| C12 | C13 | C14 | H12 | 70.1° | 58.6° |
| C28 | C04 | C05 | C06 | 180.0° | 179.7° |
| C28 | C04 | C05 | N07 | 0.1° | 0.3° |
| C04 | C28 | C08 | N07 | 0.4° | 0.2° |
| C04 | C28 | C08 | C09 | 179.0° | 179.8° |
| C04 | C28 | C29 | H27 | 89.9° | 90.0° |
| C04 | C28 | C29 | H28 | 150.1° | 150.0° |
| C04 | C28 | C29 | H29 | 30.1° | 30.0° |
| C05 | C04 | C28 | C08 | 0.2° | 0.3° |
| C04 | C05 | C06 | N07 | 179.9° | 180.0° |
| C04 | C05 | N07 | C08 | 0.3° | 0.1° |
| C04 | C05 | C06 | H4 | 89.9° | 95.0° |
| C04 | C05 | C06 | H5 | 150.1° | 145.1° |
| C04 | C05 | C06 | H6 | 30.1° | 25.0° |
| C04 | C05 | N07 | H30 | 179.7° | 180.0° |
| C28 | C08 | N07 | C05 | 0.4° | 0.0° |
| C28 | C08 | N07 | C09 | 178.7° | 180.0° |
| C28 | C08 | C09 | N11 | 138.1° | 72.7° |
| C28 | C08 | C09 | O10 | 43.9° | 107.4° |
| C08 | C28 | C29 | H27 | 89.9° | 90.0° |
| C08 | C28 | C29 | H28 | 30.1° | 30.0° |
| C08 | C28 | C29 | H29 | 150.1° | 150.0° |
| C28 | C08 | N07 | H30 | 179.6° | 179.9° |
| C14 | C15 | C17 | C16 | 121.6° | 119.8° |
| C14 | C15 | C17 | H13 | 119.4° | 120.1° |
| C14 | C15 | C16 | H13 | 123.2° | 120.0° |
| C14 | C15 | C16 | N11 | 49.5° | 54.7° |
| C14 | C15 | C17 | C18 | 149.7° | 114.8° |
| C14 | C15 | C17 | N27 | 32.1° | 64.8° |
| C15 | C14 | C13 | H9 | 171.0° | 58.7° |
| C15 | C14 | C13 | H10 | 70.1° | 178.7° |
| C15 | C14 | H11 | H12 | 118.2° | 119.9° |
| C14 | C15 | C16 | H14 | 170.1° | 174.4° |
| C14 | C15 | C16 | H15 | 71.2° | 65.3° |
| C06 | C05 | N07 | C08 | 179.8° | 179.8° |
| C05 | C06 | H4 | H5 | 120.0° | 119.9° |
| C05 | C06 | H4 | H6 | 120.0° | 120.0° |
| C05 | C06 | H5 | H6 | 120.0° | 120.0° |
| C06 | C05 | N07 | H30 | 0.2° | 0.1° |
| C05 | N07 | C08 | H30 | 180.0° | 179.9° |
| C05 | N07 | C08 | C09 | 179.1° | 180.0° |
| N07 | C05 | C06 | H4 | 90.0° | 85.0° |
| N07 | C05 | C06 | H5 | 30.0° | 35.0° |
| N07 | C05 | C06 | H6 | 150.0° | 155.0° |
| C17 | C15 | C16 | H13 | 118.9° | 120.1° |
| C15 | C17 | C18 | C19 | 1.6° | 0.1° |
| C17 | C15 | C16 | N11 | 167.4° | 174.6° |
| C15 | C17 | C18 | N27 | 178.4° | 179.7° |
| C15 | C17 | C18 | C25 | 179.3° | 180.0° |
| C15 | C17 | N27 | N26 | 179.2° | 179.9° |
| C17 | C15 | C14 | H11 | 74.3° | 58.7° |
| C17 | C15 | C14 | H12 | 44.6° | 61.3° |
| C17 | C15 | C16 | H14 | 72.0° | 65.7° |
| C17 | C15 | C16 | H15 | 46.7° | 54.7° |
| C15 | C16 | N11 | C12 | 54.1° | 53.7° |
| C15 | C16 | N11 | C09 | 124.8° | 126.4° |
| C15 | C16 | N11 | H14 | 120.6° | 119.7° |
| C15 | C16 | N11 | H15 | 120.6° | 119.9° |
| C16 | C15 | C17 | C18 | 88.7° | 125.3° |
| C16 | C15 | C17 | N27 | 89.5° | 55.0° |
| C16 | C15 | C14 | H11 | 167.3° | 178.6° |
| C16 | C15 | C14 | H12 | 73.8° | 58.6° |
| C15 | C16 | H14 | H15 | 118.0° | 120.3° |
| N07 | C08 | C09 | N11 | 43.5° | 107.3° |
| N07 | C08 | C09 | O10 | 134.5° | 72.6° |
| C08 | C09 | N11 | C12 | 2.0° | 175.1° |
| C08 | C09 | N11 | O10 | 178.1° | 179.9° |
| C08 | C09 | N11 | C16 | 179.3° | 4.8° |
| C09 | C08 | N07 | H30 | 0.9° | 0.1° |
| C12 | N11 | C09 | C16 | 178.7° | 179.9° |
| C12 | N11 | C09 | O10 | 179.9° | 5.0° |
| N11 | C12 | H7 | H8 | 119.5° | 120.2° |
| N11 | C12 | C13 | H9 | 175.7° | 65.3° |
| N11 | C12 | C13 | H10 | 65.4° | 174.6° |
| C12 | N11 | C16 | H14 | 174.8° | 173.4° |
| C12 | N11 | C16 | H15 | 66.5° | 66.2° |
| N20 | C21 | C22 | H18 | 119.2° | 118.5° |
| N20 | C21 | C22 | H19 | 119.2° | 118.3° |
| C21 | N20 | C19 | C24 | 118.2° | 117.4° |
| C21 | N20 | C19 | C18 | 178.6° | 173.9° |
| N20 | C21 | C22 | C23 | 28.7° | 37.5° |
| C21 | N20 | C24 | C23 | 10.1° | 25.4° |
| C21 | N20 | C19 | H16 | 58.2° | 54.0° |
| C21 | N20 | C19 | H17 | 61.0° | 66.0° |
| N20 | C21 | H18 | H19 | 122.2° | 123.0° |
| N20 | C21 | C22 | H20 | 90.7° | 80.9° |
| N20 | C21 | C22 | H21 | 148.0° | 155.8° |
| C21 | N20 | C24 | H24 | 109.8° | 144.7° |
| C21 | N20 | C24 | H25 | 130.0° | 94.0° |
| C22 | C21 | N20 | C19 | 144.9° | 159.7° |
| C22 | C21 | N20 | C24 | 22.7° | 39.3° |
| C21 | C22 | C23 | H20 | 119.3° | 118.4° |
| C21 | C22 | C23 | H21 | 119.4° | 118.3° |
| C21 | C22 | C23 | C24 | 22.2° | 22.0° |
| C22 | C21 | H18 | H19 | 122.2° | 123.1° |
| C21 | C22 | H20 | H21 | 121.9° | 123.2° |
| C21 | C22 | C23 | H22 | 142.0° | 140.9° |
| C21 | C22 | C23 | H23 | 97.5° | 97.0° |
| N20 | C19 | C18 | H16 | 120.4° | 120.0° |
| N20 | C19 | C18 | H17 | 120.4° | 120.0° |
| N20 | C19 | C18 | C17 | 64.4° | 75.3° |
| N20 | C19 | C18 | C25 | 116.7° | 104.6° |
| C19 | N20 | C24 | C23 | 131.3° | 145.8° |
| N20 | C19 | H16 | H17 | 118.8° | 120.0° |
| C19 | N20 | C21 | H18 | 95.9° | 41.2° |
| C19 | N20 | C21 | H19 | 25.7° | 81.9° |
| C19 | N20 | C24 | H24 | 11.5° | 94.8° |
| C19 | N20 | C24 | H25 | 108.7° | 26.4° |
| C19 | C18 | C17 | C25 | 179.1° | 179.9° |
| C19 | C18 | C17 | N27 | 180.0° | 179.8° |
| C18 | C19 | N20 | C24 | 60.3° | 68.7° |
| C19 | C18 | C25 | N26 | 179.8° | 180.0° |
| C18 | C19 | H16 | H17 | 118.8° | 120.0° |
| C19 | C18 | C25 | H26 | 0.2° | 0.1° |
| C09 | N11 | C12 | H7 | 117.1° | 113.7° |
| C09 | N11 | C12 | H8 | 2.6° | 6.5° |
| C09 | N11 | C16 | H14 | 4.2° | 6.7° |
| C09 | N11 | C16 | H15 | 114.6° | 113.7° |
| O10 | C09 | N11 | C16 | 1.2° | 175.1° |
| C16 | N11 | C12 | H7 | 64.1° | 66.2° |
| C16 | N11 | C12 | H8 | 176.3° | 173.6° |
| N11 | C16 | C15 | H13 | 73.7° | 65.3° |
| N11 | C16 | H14 | H15 | 118.1° | 120.4° |
| C18 | C17 | N27 | N26 | 0.8° | 0.4° |
| C17 | C18 | C25 | N26 | 0.7° | 0.1° |
| C18 | C17 | C15 | H13 | 30.3° | 5.2° |
| C17 | C18 | C19 | H16 | 175.2° | 44.7° |
| C17 | C18 | C19 | H17 | 56.0° | 164.7° |
| C17 | C18 | C25 | H26 | 179.3° | 180.0° |
| N27 | C17 | C18 | C25 | 0.9° | 0.3° |
| C17 | N27 | N26 | C25 | 0.3° | 0.4° |
| N27 | C17 | C15 | H13 | 151.5° | 175.1° |
| C17 | N27 | N26 | H32 | 179.7° | 179.8° |
| N20 | C24 | C23 | C22 | 8.6° | 1.2° |
| N20 | C24 | C23 | H24 | 119.9° | 119.4° |
| N20 | C24 | C23 | H25 | 119.9° | 119.5° |
| C24 | N20 | C19 | H16 | 60.1° | 171.3° |
| C24 | N20 | C19 | H17 | 179.3° | 51.3° |
| C24 | N20 | C21 | H18 | 142.0° | 79.2° |
| C24 | N20 | C21 | H19 | 96.5° | 157.6° |
| N20 | C24 | C23 | H22 | 128.4° | 117.7° |
| N20 | C24 | C23 | H23 | 111.1° | 120.2° |
| N20 | C24 | H24 | H25 | 120.3° | 121.4° |
| C18 | C25 | N26 | N27 | 0.3° | 0.2° |
| C18 | C25 | N26 | H26 | 180.0° | 179.9° |
| C25 | C18 | C19 | H16 | 3.7° | 135.4° |
| C25 | C18 | C19 | H17 | 122.9° | 15.4° |
| C18 | C25 | N26 | H32 | 179.7° | 180.0° |
| N27 | N26 | C25 | H32 | 180.0° | 179.8° |
| N27 | N26 | C25 | H26 | 179.7° | 179.8° |
| C22 | C23 | C24 | H22 | 119.7° | 118.9° |
| C22 | C23 | C24 | H23 | 119.7° | 119.0° |
| C23 | C22 | C21 | H18 | 147.9° | 81.0° |
| C23 | C22 | C21 | H19 | 90.6° | 155.8° |
| C23 | C22 | H20 | H21 | 121.9° | 123.2° |
| C22 | C23 | H22 | H23 | 120.9° | 122.1° |
| C22 | C23 | C24 | H24 | 128.5° | 120.6° |
| C22 | C23 | C24 | H25 | 111.3° | 118.3° |
| C24 | C23 | C22 | H20 | 97.1° | 96.4° |
| C24 | C23 | C22 | H21 | 141.6° | 140.3° |
| C24 | C23 | H22 | H23 | 120.8° | 122.2° |
| C23 | C24 | H24 | H25 | 120.3° | 121.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | H5 | H6 | 120.0° | 120.0° |
| H7 | C12 | C13 | H9 | 55.5° | 174.8° |
| H7 | C12 | C13 | H10 | 174.5° | 54.8° |
| H8 | C12 | C13 | H9 | 64.1° | 54.5° |
| H8 | C12 | C13 | H10 | 54.8° | 65.5° |
| H9 | C13 | C14 | H11 | 68.4° | 61.4° |
| H9 | C13 | C14 | H12 | 50.4° | 178.6° |
| H10 | C13 | C14 | H11 | 50.5° | 58.6° |
| H10 | C13 | C14 | H12 | 169.4° | 61.4° |
| H11 | C14 | C15 | H13 | 44.6° | 61.4° |
| H12 | C14 | C15 | H13 | 163.5° | 178.6° |
| H13 | C15 | C16 | H14 | 46.9° | 54.4° |
| H13 | C15 | C16 | H15 | 165.6° | 174.8° |
| H18 | C21 | C22 | H20 | 28.6° | 160.6° |
| H18 | C21 | C22 | H21 | 92.8° | 37.3° |
| H19 | C21 | C22 | H20 | 150.1° | 37.4° |
| H19 | C21 | C22 | H21 | 28.8° | 85.8° |
| H20 | C22 | C23 | H22 | 22.6° | 22.5° |
| H20 | C22 | C23 | H23 | 143.2° | 144.6° |
| H21 | C22 | C23 | H22 | 98.7° | 100.8° |
| H21 | C22 | C23 | H23 | 21.9° | 21.3° |
| H22 | C23 | C24 | H24 | 111.7° | 1.7° |
| H22 | C23 | C24 | H25 | 8.5° | 122.8° |
| H23 | C23 | C24 | H24 | 8.8° | 120.4° |
| H23 | C23 | C24 | H25 | 129.0° | 0.7° |
| H26 | C25 | N26 | H32 | 0.3° | 0.1° |
| H27 | C29 | H28 | H29 | 120.0° | 120.1° |
