A1ERH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C29 | C28 | sing | 1.52Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| O20 | C19 | doub | 1.21Å | 1.18Å | |
| C28 | C33 | sing | 1.52Å | 1.53Å | |
| O25 | C24 | doub | 1.21Å | 1.19Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.48Å | |
| C10 | N12 | sing | 1.47Å | 1.53Å | |
| C24 | C33 | sing | 1.53Å | 1.50Å | |
| C24 | N23 | sing | 1.34Å | 1.45Å | |
| C19 | N12 | sing | 1.35Å | 1.44Å | |
| C19 | C21 | sing | 1.51Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.52Å | 1.51Å | |
| C08 | N07 | sing | 1.47Å | 1.52Å | |
| C08 | C14 | sing | 1.51Å | 1.52Å | |
| N12 | C13 | sing | 1.40Å | 1.51Å | |
| N07 | C06 | sing | 1.40Å | 1.45Å | |
| C21 | N23 | sing | 1.46Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| N23 | C26 | sing | 1.35Å | 1.46Å | |
| C06 | C05 | doub | 1.39Å | 1.53Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.52Å | Aromatic |
| C31 | C32 | sing | 1.50Å | 1.54Å | |
| C05 | C04 | sing | 1.38Å | 1.51Å | Aromatic |
| C32 | C26 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | doub | 1.38Å | 1.51Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.47Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.53Å | Aromatic |
| C26 | O27 | doub | 1.21Å | 1.18Å | |
| C13 | C18 | sing | 1.39Å | 1.54Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.53Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.52Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.54Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.52Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.54Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.08Å | 1.08Å | |
| C02 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C05 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| N07 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 110.2° | 109.9° |
| C11 | C10 | N12 | 121.1° | 109.8° |
| C11 | C10 | H1 | 108.2° | 109.9° |
| C10 | C11 | H18 | 109.5° | 109.4° |
| C10 | C11 | H19 | 109.4° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| C28 | C29 | C30 | 113.4° | 108.5° |
| C29 | C28 | C33 | 110.8° | 112.5° |
| C29 | C28 | H8 | 109.1° | 108.9° |
| C29 | C28 | H9 | 109.1° | 108.8° |
| C28 | C29 | H23 | 108.5° | 109.6° |
| C28 | C29 | H24 | 108.5° | 109.7° |
| C29 | C30 | C31 | 113.3° | 108.1° |
| C30 | C29 | H23 | 108.5° | 109.6° |
| C30 | C29 | H24 | 108.5° | 109.7° |
| C29 | C30 | H25 | 108.5° | 109.7° |
| C29 | C30 | H26 | 108.5° | 109.8° |
| O20 | C19 | N12 | 120.5° | 120.0° |
| O20 | C19 | C21 | 114.1° | 120.0° |
| C28 | C33 | C24 | 109.9° | 107.9° |
| C28 | C33 | C32 | 113.1° | 114.8° |
| C33 | C28 | H8 | 109.2° | 108.8° |
| C33 | C28 | H9 | 109.2° | 108.9° |
| C28 | C33 | H30 | 108.7° | 110.4° |
| O25 | C24 | C33 | 131.3° | 126.1° |
| O25 | C24 | N23 | 120.2° | 126.1° |
| C10 | C09 | C08 | 117.0° | 108.9° |
| C09 | C10 | N12 | 101.1° | 107.8° |
| C09 | C10 | H1 | 107.6° | 109.8° |
| C10 | C09 | H16 | 107.5° | 109.6° |
| C10 | C09 | H17 | 107.5° | 109.5° |
| C09 | C08 | N07 | 111.5° | 109.3° |
| C09 | C08 | C14 | 111.1° | 110.5° |
| C09 | C08 | H15 | 109.0° | 109.2° |
| C08 | C09 | H16 | 107.6° | 109.6° |
| C08 | C09 | H17 | 107.6° | 109.6° |
| C10 | N12 | C19 | 131.4° | 120.5° |
| C10 | N12 | C13 | 102.9° | 118.9° |
| N12 | C10 | H1 | 107.7° | 109.8° |
| C33 | C24 | N23 | 108.0° | 107.8° |
| C24 | C33 | C32 | 107.1° | 101.5° |
| C24 | C33 | H30 | 109.1° | 110.6° |
| C24 | N23 | C21 | 110.9° | 123.0° |
| C24 | N23 | C26 | 111.3° | 114.0° |
| N12 | C19 | C21 | 125.2° | 120.0° |
| C19 | N12 | C13 | 125.7° | 120.6° |
| C19 | C21 | N23 | 117.6° | 109.5° |
| C19 | C21 | C22 | 121.7° | 109.5° |
| C19 | C21 | H4 | 97.1° | 109.4° |
| C30 | C31 | C32 | 108.2° | 112.9° |
| C31 | C30 | H25 | 108.5° | 109.7° |
| C31 | C30 | H26 | 108.5° | 109.7° |
| C30 | C31 | H27 | 109.8° | 108.7° |
| C30 | C31 | H28 | 109.8° | 108.8° |
| C33 | C32 | C31 | 113.2° | 117.3° |
| C33 | C32 | C26 | 107.0° | 103.1° |
| C33 | C32 | H29 | 107.3° | 107.2° |
| C32 | C33 | H30 | 108.9° | 111.2° |
| N07 | C08 | C14 | 108.0° | 109.3° |
| C08 | N07 | C06 | 118.5° | 120.0° |
| N07 | C08 | H15 | 108.5° | 109.2° |
| C08 | N07 | H31 | 107.2° | 120.0° |
| C08 | C14 | C13 | 111.6° | 121.5° |
| C08 | C14 | C15 | 127.9° | 119.0° |
| C14 | C08 | H15 | 108.6° | 109.3° |
| N12 | C13 | C14 | 112.6° | 120.9° |
| N12 | C13 | C18 | 124.1° | 119.1° |
| N07 | C06 | C05 | 119.7° | 120.1° |
| N07 | C06 | C01 | 120.0° | 120.1° |
| C06 | N07 | H31 | 107.2° | 120.0° |
| N23 | C21 | C22 | 116.0° | 109.5° |
| C21 | N23 | C26 | 137.8° | 123.0° |
| N23 | C21 | H4 | 97.6° | 109.5° |
| C22 | C21 | H4 | 97.1° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.4° |
| C21 | C22 | H6 | 109.4° | 109.5° |
| C21 | C22 | H7 | 109.4° | 109.4° |
| N23 | C26 | C32 | 106.5° | 107.4° |
| N23 | C26 | O27 | 125.7° | 126.3° |
| C05 | C06 | C01 | 120.3° | 119.8° |
| C06 | C05 | C04 | 122.2° | 120.0° |
| C06 | C05 | H14 | 118.9° | 120.0° |
| C06 | C01 | C02 | 117.4° | 119.9° |
| C06 | C01 | H10 | 121.3° | 120.0° |
| C31 | C32 | C26 | 114.9° | 112.8° |
| C32 | C31 | H27 | 109.8° | 108.8° |
| C32 | C31 | H28 | 109.8° | 108.8° |
| C31 | C32 | H29 | 107.0° | 108.1° |
| C05 | C04 | C03 | 117.4° | 120.1° |
| C05 | C04 | H13 | 121.3° | 120.0° |
| C04 | C05 | H14 | 118.9° | 120.0° |
| C32 | C26 | O27 | 127.7° | 126.3° |
| C26 | C32 | H29 | 107.1° | 107.8° |
| C01 | C02 | C03 | 122.6° | 120.1° |
| C02 | C01 | H10 | 121.3° | 120.1° |
| C01 | C02 | H11 | 118.7° | 120.0° |
| C13 | C14 | C15 | 120.5° | 119.6° |
| C14 | C13 | C18 | 123.2° | 120.0° |
| C14 | C15 | C16 | 118.2° | 120.3° |
| C14 | C15 | H2 | 120.9° | 119.8° |
| C13 | C18 | C17 | 117.6° | 120.0° |
| C13 | C18 | H22 | 121.2° | 120.0° |
| C04 | C03 | C02 | 120.1° | 120.1° |
| C04 | C03 | H12 | 119.9° | 119.9° |
| C03 | C04 | H13 | 121.3° | 120.0° |
| C03 | C02 | H11 | 118.7° | 119.9° |
| C02 | C03 | H12 | 119.9° | 120.0° |
| C18 | C17 | C16 | 118.9° | 119.9° |
| C18 | C17 | H3 | 120.6° | 120.1° |
| C17 | C18 | H22 | 121.2° | 120.0° |
| C15 | C16 | C17 | 121.7° | 120.1° |
| C16 | C15 | H2 | 120.9° | 119.9° |
| C15 | C16 | H21 | 119.2° | 119.9° |
| C16 | C17 | H3 | 120.6° | 120.0° |
| C17 | C16 | H21 | 119.1° | 119.9° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 108.8° |
| H16 | C09 | H17 | 109.5° | 109.6° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H18 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.8° |
| H25 | C30 | H26 | 109.4° | 109.8° |
| H27 | C31 | H28 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | N12 | 129.3° | 119.6° |
| C11 | C10 | C09 | H1 | 117.9° | 120.9° |
| C11 | C10 | C09 | C08 | 157.4° | 177.2° |
| C11 | C10 | N12 | H1 | 125.3° | 120.9° |
| C11 | C10 | N12 | C19 | 17.3° | 15.8° |
| C11 | C10 | N12 | C13 | 162.3° | 164.2° |
| C11 | C10 | C09 | H16 | 36.4° | 63.0° |
| C11 | C10 | C09 | H17 | 81.4° | 57.3° |
| C10 | C11 | H18 | H19 | 120.0° | 119.9° |
| C10 | C11 | H18 | H20 | 120.0° | 120.1° |
| C10 | C11 | H19 | H20 | 120.0° | 120.1° |
| C28 | C29 | C30 | H23 | 120.6° | 119.7° |
| C28 | C29 | C30 | H24 | 120.6° | 119.7° |
| C29 | C28 | C33 | H8 | 120.2° | 120.8° |
| C29 | C28 | C33 | H9 | 120.2° | 120.7° |
| C29 | C28 | C33 | C24 | 73.0° | 154.2° |
| C28 | C29 | C30 | C31 | 1.5° | 66.0° |
| C29 | C28 | C33 | C32 | 46.6° | 41.9° |
| C29 | C28 | H8 | H9 | 119.4° | 118.5° |
| C28 | C29 | H23 | H24 | 118.2° | 120.5° |
| C28 | C29 | C30 | H25 | 122.1° | 53.6° |
| C28 | C29 | C30 | H26 | 119.1° | 174.3° |
| C29 | C28 | C33 | H30 | 167.7° | 84.8° |
| C30 | C29 | C28 | C33 | 52.2° | 59.3° |
| C29 | C30 | C31 | H25 | 120.6° | 119.6° |
| C29 | C30 | C31 | H26 | 120.6° | 119.7° |
| C29 | C30 | C31 | C32 | 52.5° | 56.5° |
| C30 | C29 | C28 | H8 | 68.0° | 180.0° |
| C30 | C29 | C28 | H9 | 172.4° | 61.5° |
| C30 | C29 | H23 | H24 | 118.2° | 120.5° |
| C29 | C30 | H25 | H26 | 118.3° | 120.7° |
| C29 | C30 | C31 | H27 | 172.3° | 177.4° |
| C29 | C30 | C31 | H28 | 67.3° | 64.4° |
| O20 | C19 | N12 | C10 | 1.8° | 15.0° |
| O20 | C19 | N12 | C21 | 173.9° | 179.9° |
| O20 | C19 | N12 | C13 | 177.7° | 165.0° |
| O20 | C19 | C21 | N23 | 60.0° | 40.1° |
| O20 | C19 | C21 | C22 | 145.4° | 79.9° |
| O20 | C19 | C21 | H4 | 42.5° | 160.1° |
| C28 | C33 | C24 | O25 | 52.6° | 80.0° |
| C28 | C33 | C24 | C32 | 123.2° | 121.1° |
| C28 | C33 | C24 | H30 | 119.1° | 120.8° |
| C28 | C33 | C24 | N23 | 119.3° | 100.3° |
| C28 | C33 | C32 | H30 | 121.0° | 126.3° |
| C28 | C33 | C32 | C31 | 8.0° | 32.5° |
| C28 | C33 | C32 | C26 | 119.6° | 92.1° |
| C33 | C28 | H8 | H9 | 119.4° | 118.5° |
| C33 | C28 | C29 | H23 | 68.4° | 178.9° |
| C33 | C28 | C29 | H24 | 172.8° | 60.5° |
| C28 | C33 | C32 | H29 | 125.8° | 154.2° |
| O25 | C24 | C33 | N23 | 171.9° | 179.7° |
| O25 | C24 | C33 | C32 | 175.8° | 158.9° |
| O25 | C24 | N23 | C21 | 4.7° | 8.9° |
| O25 | C24 | N23 | C26 | 177.7° | 171.1° |
| O25 | C24 | C33 | H30 | 66.5° | 40.8° |
| C10 | C09 | C08 | H16 | 121.1° | 119.8° |
| C10 | C09 | C08 | H17 | 121.1° | 119.8° |
| C09 | C10 | N12 | H1 | 112.8° | 119.5° |
| C09 | C10 | N12 | C19 | 104.7° | 135.4° |
| C10 | C09 | C08 | N07 | 153.8° | 68.9° |
| C10 | C09 | C08 | C14 | 33.3° | 51.4° |
| C09 | C10 | N12 | C13 | 75.7° | 44.6° |
| C10 | C09 | C08 | H15 | 86.4° | 171.6° |
| C10 | C09 | H16 | H17 | 116.6° | 120.3° |
| C09 | C10 | C11 | H18 | 180.0° | 151.9° |
| C09 | C10 | C11 | H19 | 60.0° | 32.0° |
| C09 | C10 | C11 | H20 | 60.0° | 88.0° |
| C08 | C09 | C10 | N12 | 28.1° | 63.2° |
| C09 | C08 | N07 | C14 | 122.3° | 121.1° |
| C09 | C08 | N07 | H15 | 120.1° | 119.4° |
| C09 | C08 | C14 | H15 | 119.9° | 120.2° |
| C09 | C08 | N07 | C06 | 171.0° | 86.6° |
| C09 | C08 | C14 | C13 | 49.3° | 20.5° |
| C09 | C08 | C14 | C15 | 128.6° | 159.5° |
| C08 | C09 | C10 | H1 | 84.7° | 56.3° |
| C08 | C09 | H16 | H17 | 116.6° | 120.3° |
| C09 | C08 | N07 | H31 | 49.8° | 93.4° |
| C10 | N12 | C19 | C13 | 179.5° | 180.0° |
| C10 | N12 | C19 | C21 | 172.0° | 165.0° |
| C10 | N12 | C13 | C14 | 63.4° | 13.4° |
| C10 | N12 | C13 | C18 | 111.9° | 166.7° |
| N12 | C10 | C09 | H16 | 93.0° | 56.6° |
| N12 | C10 | C09 | H17 | 149.2° | 176.9° |
| N12 | C10 | C11 | H18 | 62.5° | 89.7° |
| N12 | C10 | C11 | H19 | 177.5° | 150.4° |
| N12 | C10 | C11 | H20 | 57.5° | 30.3° |
| C24 | C33 | C32 | H30 | 117.8° | 117.6° |
| C33 | C24 | N23 | C21 | 177.7° | 171.4° |
| C33 | C24 | N23 | C26 | 4.7° | 8.6° |
| C24 | C33 | C32 | C31 | 129.3° | 148.6° |
| C24 | C33 | C32 | C26 | 1.7° | 24.0° |
| C24 | C33 | C28 | H8 | 166.8° | 85.0° |
| C24 | C33 | C28 | H9 | 47.2° | 33.5° |
| C24 | C33 | C32 | H29 | 113.0° | 89.7° |
| C24 | N23 | C21 | C19 | 99.7° | 120.0° |
| N23 | C24 | C33 | C32 | 3.9° | 20.8° |
| C24 | N23 | C21 | C26 | 176.6° | 180.0° |
| C24 | N23 | C21 | C22 | 104.2° | 120.0° |
| C24 | N23 | C26 | C32 | 3.6° | 7.9° |
| C24 | N23 | C26 | O27 | 179.9° | 172.1° |
| C24 | N23 | C21 | H4 | 2.4° | 0.0° |
| N23 | C24 | C33 | H30 | 121.6° | 138.9° |
| N12 | C19 | C21 | N23 | 125.8° | 139.9° |
| N12 | C19 | C21 | C22 | 28.8° | 100.0° |
| C19 | N12 | C13 | C14 | 117.0° | 166.6° |
| C19 | N12 | C13 | C18 | 67.7° | 13.3° |
| C19 | N12 | C10 | H1 | 142.5° | 105.1° |
| N12 | C19 | C21 | H4 | 131.7° | 19.9° |
| C21 | C19 | N12 | C13 | 8.4° | 15.0° |
| C19 | C21 | N23 | C22 | 156.1° | 120.0° |
| C19 | C21 | N23 | H4 | 102.1° | 120.0° |
| C19 | C21 | C22 | H4 | 102.8° | 119.9° |
| C19 | C21 | N23 | C26 | 83.7° | 60.0° |
| C19 | C21 | C22 | H5 | 180.0° | 151.5° |
| C19 | C21 | C22 | H6 | 60.0° | 31.5° |
| C19 | C21 | C22 | H7 | 60.0° | 88.6° |
| C30 | C31 | C32 | C33 | 58.1° | 40.3° |
| C30 | C31 | C32 | H27 | 119.8° | 120.9° |
| C30 | C31 | C32 | H28 | 119.8° | 120.9° |
| C30 | C31 | C32 | C26 | 65.2° | 79.3° |
| C31 | C30 | C29 | H23 | 119.1° | 174.3° |
| C31 | C30 | C29 | H24 | 122.1° | 53.8° |
| C31 | C30 | H25 | H26 | 118.2° | 120.6° |
| C30 | C31 | H27 | H28 | 120.6° | 118.2° |
| C30 | C31 | C32 | H29 | 176.1° | 161.5° |
| C33 | C32 | C26 | N23 | 1.1° | 20.7° |
| C33 | C32 | C31 | C26 | 123.3° | 119.6° |
| C33 | C32 | C31 | H29 | 118.0° | 121.2° |
| C33 | C32 | C26 | H29 | 114.8° | 113.2° |
| C33 | C32 | C26 | O27 | 177.3° | 159.3° |
| C32 | C33 | C28 | H8 | 73.6° | 162.6° |
| C32 | C33 | C28 | H9 | 166.8° | 78.9° |
| C33 | C32 | C31 | H27 | 177.9° | 161.1° |
| C33 | C32 | C31 | H28 | 61.7° | 80.6° |
| N07 | C08 | C14 | H15 | 117.5° | 119.5° |
| C08 | N07 | C06 | H31 | 121.3° | 179.9° |
| C08 | N07 | C06 | C05 | 22.2° | 175.9° |
| C08 | N07 | C06 | C01 | 156.1° | 3.5° |
| N07 | C08 | C14 | C13 | 171.9° | 99.8° |
| N07 | C08 | C14 | C15 | 6.1° | 80.1° |
| N07 | C08 | C09 | H16 | 85.1° | 171.3° |
| N07 | C08 | C09 | H17 | 32.7° | 50.9° |
| C08 | C14 | C13 | N12 | 1.0° | 0.3° |
| C14 | C08 | N07 | C06 | 66.6° | 152.3° |
| C08 | C14 | C13 | C15 | 178.2° | 179.9° |
| C08 | C14 | C13 | C18 | 176.4° | 179.8° |
| C08 | C14 | C15 | C16 | 178.4° | 179.9° |
| C08 | C14 | C15 | H2 | 1.7° | 0.2° |
| C14 | C08 | C09 | H16 | 154.3° | 68.4° |
| C14 | C08 | C09 | H17 | 87.8° | 171.2° |
| C14 | C08 | N07 | H31 | 172.1° | 27.7° |
| N12 | C13 | C14 | C18 | 175.4° | 180.0° |
| N12 | C13 | C14 | C15 | 177.1° | 179.8° |
| N12 | C13 | C18 | C17 | 177.7° | 179.8° |
| C13 | N12 | C10 | H1 | 37.1° | 74.9° |
| N12 | C13 | C18 | H22 | 2.3° | 0.2° |
| N07 | C06 | C05 | C01 | 178.3° | 179.4° |
| N07 | C06 | C05 | C04 | 179.7° | 180.0° |
| N07 | C06 | C01 | C02 | 179.5° | 180.0° |
| N07 | C06 | C01 | H10 | 0.5° | 0.3° |
| N07 | C06 | C05 | H14 | 0.3° | 0.2° |
| C06 | N07 | C08 | H15 | 51.0° | 32.8° |
| N23 | C21 | C22 | H4 | 102.1° | 120.0° |
| C21 | N23 | C26 | C32 | 179.8° | 172.1° |
| C21 | N23 | C26 | O27 | 3.5° | 7.9° |
| N23 | C21 | C22 | H5 | 24.9° | 88.5° |
| N23 | C21 | C22 | H6 | 145.0° | 151.5° |
| N23 | C21 | C22 | H7 | 95.1° | 31.4° |
| C22 | C21 | N23 | C26 | 72.4° | 60.0° |
| C21 | C22 | H5 | H6 | 120.0° | 120.0° |
| C21 | C22 | H5 | H7 | 120.0° | 119.9° |
| C21 | C22 | H6 | H7 | 120.0° | 120.0° |
| N23 | C26 | C32 | C31 | 125.5° | 148.2° |
| N23 | C26 | C32 | O27 | 176.2° | 180.0° |
| C26 | N23 | C21 | H4 | 174.1° | 180.0° |
| N23 | C26 | C32 | H29 | 115.8° | 92.5° |
| C06 | C05 | C04 | H14 | 180.0° | 179.8° |
| C05 | C06 | C01 | C02 | 1.2° | 0.6° |
| C06 | C05 | C04 | C03 | 0.8° | 0.2° |
| C05 | C06 | C01 | H10 | 178.8° | 179.7° |
| C06 | C05 | C04 | H13 | 179.2° | 179.7° |
| C05 | C06 | N07 | H31 | 99.1° | 4.1° |
| C01 | C06 | C05 | C04 | 1.3° | 0.5° |
| C06 | C01 | C02 | H10 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.6° | 0.3° |
| C06 | C01 | C02 | H11 | 179.4° | 179.8° |
| C01 | C06 | C05 | H14 | 178.7° | 179.7° |
| C01 | C06 | N07 | H31 | 82.6° | 176.4° |
| C31 | C32 | C26 | H29 | 118.7° | 119.3° |
| C31 | C32 | C26 | O27 | 50.8° | 31.9° |
| C32 | C31 | C30 | H25 | 68.1° | 63.1° |
| C32 | C31 | C30 | H26 | 173.1° | 176.2° |
| C32 | C31 | H27 | H28 | 120.6° | 118.3° |
| C31 | C32 | C33 | H30 | 112.9° | 93.8° |
| C05 | C04 | C03 | H13 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H12 | 179.8° | 180.0° |
| C26 | C32 | C31 | H27 | 54.6° | 41.5° |
| C26 | C32 | C31 | H28 | 175.0° | 159.8° |
| C26 | C32 | C33 | H30 | 119.5° | 141.6° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | H11 | 180.0° | 179.9° |
| C01 | C02 | C03 | H12 | 179.9° | 179.9° |
| C14 | C13 | C18 | C17 | 2.9° | 0.1° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | H2 | 179.5° | 179.9° |
| C13 | C14 | C08 | H15 | 70.5° | 140.7° |
| C14 | C13 | C18 | H22 | 177.1° | 179.9° |
| C15 | C14 | C13 | C18 | 1.8° | 0.2° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.6° | 0.1° |
| C15 | C14 | C08 | H15 | 111.5° | 39.3° |
| C14 | C15 | C16 | H21 | 178.4° | 179.9° |
| O27 | C26 | C32 | H29 | 67.9° | 87.5° |
| C13 | C18 | C17 | H22 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 1.7° | 0.0° |
| C13 | C18 | C17 | H3 | 178.4° | 180.0° |
| C04 | C03 | C02 | H12 | 180.0° | 180.0° |
| C04 | C03 | C02 | H11 | 179.9° | 179.9° |
| C03 | C04 | C05 | H14 | 179.2° | 180.0° |
| C03 | C02 | C01 | H10 | 179.4° | 180.0° |
| C02 | C03 | C04 | H13 | 179.8° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.1° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C18 | C17 | C16 | H21 | 179.5° | 179.9° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C15 | C16 | C17 | H3 | 179.5° | 179.9° |
| C17 | C16 | C15 | H2 | 178.4° | 180.0° |
| C16 | C17 | C18 | H22 | 178.3° | 180.0° |
| H1 | C10 | C09 | H16 | 154.2° | 176.1° |
| H1 | C10 | C09 | H17 | 36.4° | 63.6° |
| H1 | C10 | C11 | H18 | 62.5° | 31.1° |
| H1 | C10 | C11 | H19 | 57.5° | 88.8° |
| H1 | C10 | C11 | H20 | 177.5° | 151.1° |
| H2 | C15 | C16 | H21 | 1.6° | 0.0° |
| H3 | C17 | C16 | H21 | 0.5° | 0.1° |
| H3 | C17 | C18 | H22 | 1.7° | 0.0° |
| H4 | C21 | C22 | H5 | 77.2° | 31.6° |
| H4 | C21 | C22 | H6 | 42.8° | 88.5° |
| H4 | C21 | C22 | H7 | 162.8° | 151.5° |
| H5 | C22 | H6 | H7 | 120.0° | 120.0° |
| H8 | C28 | C29 | H23 | 171.4° | 60.3° |
| H8 | C28 | C29 | H24 | 52.6° | 60.3° |
| H8 | C28 | C33 | H30 | 47.5° | 35.9° |
| H9 | C28 | C29 | H23 | 51.8° | 58.1° |
| H9 | C28 | C29 | H24 | 67.0° | 178.7° |
| H9 | C28 | C33 | H30 | 72.2° | 154.4° |
| H10 | C01 | C02 | H11 | 0.6° | 0.1° |
| H11 | C02 | C03 | H12 | 0.1° | 0.0° |
| H12 | C03 | C04 | H13 | 0.2° | 0.0° |
| H13 | C04 | C05 | H14 | 0.8° | 0.1° |
| H15 | C08 | C09 | H16 | 34.7° | 51.8° |
| H15 | C08 | C09 | H17 | 152.5° | 68.6° |
| H15 | C08 | N07 | H31 | 70.3° | 147.2° |
| H18 | C11 | H19 | H20 | 120.0° | 120.0° |
| H23 | C29 | C30 | H25 | 1.5° | 66.0° |
| H23 | C29 | C30 | H26 | 120.3° | 54.7° |
| H24 | C29 | C30 | H25 | 117.4° | 173.4° |
| H24 | C29 | C30 | H26 | 1.5° | 65.9° |
| H25 | C30 | C31 | H27 | 51.7° | 57.8° |
| H25 | C30 | C31 | H28 | 172.1° | 176.0° |
| H26 | C30 | C31 | H27 | 67.1° | 62.9° |
| H26 | C30 | C31 | H28 | 53.3° | 55.3° |
| H27 | C31 | C32 | H29 | 64.1° | 77.6° |
| H28 | C31 | C32 | H29 | 56.3° | 40.6° |
| H29 | C32 | C33 | H30 | 4.8° | 27.9° |
