G1Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C20 | C19 | sing | 1.54Å | 1.50Å | |
C20 | C21 | sing | 1.55Å | 1.48Å | |
C19 | N18 | sing | 1.47Å | 1.50Å | |
C21 | C22 | sing | 1.52Å | 1.53Å | |
N18 | C22 | sing | 1.35Å | 1.40Å | Aromatic |
N18 | C17 | sing | 1.37Å | 1.33Å | Aromatic |
C22 | N23 | doub | 1.31Å | 1.35Å | Aromatic |
C17 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
N23 | C16 | sing | 1.35Å | 1.35Å | Aromatic |
C16 | C15 | sing | 1.48Å | 1.50Å | |
C14 | C15 | doub | 1.39Å | 1.51Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.52Å | Aromatic |
C15 | C24 | sing | 1.39Å | 1.51Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.52Å | Aromatic |
C24 | C11 | doub | 1.38Å | 1.50Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.52Å | Aromatic |
C11 | C10 | sing | 1.51Å | 1.51Å | |
C10 | N09 | sing | 1.46Å | 1.44Å | |
O01 | C02 | doub | 1.22Å | 1.19Å | |
C02 | N09 | sing | 1.35Å | 1.44Å | |
C02 | C03 | sing | 1.48Å | 1.51Å | |
C03 | C08 | doub | 1.40Å | 1.52Å | Aromatic |
C03 | C04 | sing | 1.40Å | 1.52Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.52Å | Aromatic |
C04 | C05 | doub | 1.38Å | 1.52Å | Aromatic |
C07 | C06 | doub | 1.38Å | 1.53Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.53Å | Aromatic |
C04 | H1 | sing | 1.08Å | 1.08Å | |
C05 | H2 | sing | 1.08Å | 1.08Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
N09 | H6 | sing | 0.97Å | 1.00Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.08Å | 1.08Å | |
C13 | H10 | sing | 1.08Å | 1.08Å | |
C14 | H11 | sing | 1.08Å | 1.08Å | |
C17 | H12 | sing | 1.08Å | 1.08Å | |
C19 | H13 | sing | 1.09Å | 1.10Å | |
C20 | H14 | sing | 1.09Å | 1.10Å | |
C21 | H15 | sing | 1.09Å | 1.10Å | |
C24 | H17 | sing | 1.08Å | 1.08Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C21 | H20 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C19 | C20 | C21 | 106.1° | 101.8° |
C20 | C19 | N18 | 108.3° | 105.6° |
C20 | C19 | H13 | 109.8° | 110.2° |
C19 | C20 | H14 | 110.3° | 111.0° |
C20 | C19 | H18 | 109.8° | 110.3° |
C19 | C20 | H19 | 110.3° | 110.9° |
C20 | C21 | C22 | 107.0° | 104.2° |
C21 | C20 | H14 | 110.3° | 111.0° |
C20 | C21 | H15 | 110.1° | 110.5° |
C21 | C20 | H19 | 110.3° | 110.9° |
C20 | C21 | H20 | 110.1° | 110.4° |
C19 | N18 | C22 | 108.3° | 111.2° |
C19 | N18 | C17 | 142.9° | 141.4° |
N18 | C19 | H13 | 109.8° | 110.3° |
N18 | C19 | H18 | 109.8° | 110.3° |
C21 | C22 | N18 | 109.6° | 109.9° |
C21 | C22 | N23 | 142.0° | 141.1° |
C22 | C21 | H15 | 110.1° | 110.5° |
C22 | C21 | H20 | 110.1° | 110.5° |
C22 | N18 | C17 | 108.8° | 107.4° |
N18 | C22 | N23 | 108.4° | 108.9° |
N18 | C17 | C16 | 106.1° | 106.7° |
N18 | C17 | H12 | 127.0° | 126.7° |
C22 | N23 | C16 | 106.4° | 109.2° |
C17 | C16 | N23 | 110.4° | 107.7° |
C17 | C16 | C15 | 125.3° | 126.2° |
C16 | C17 | H12 | 127.0° | 126.6° |
N23 | C16 | C15 | 124.2° | 126.1° |
C16 | C15 | C14 | 120.5° | 120.1° |
C16 | C15 | C24 | 116.1° | 120.2° |
C15 | C14 | C13 | 118.0° | 119.9° |
C14 | C15 | C24 | 123.2° | 119.7° |
C15 | C14 | H11 | 121.0° | 120.1° |
C14 | C13 | C12 | 119.8° | 120.1° |
C14 | C13 | H10 | 120.1° | 119.9° |
C13 | C14 | H11 | 121.0° | 120.1° |
C15 | C24 | C11 | 117.9° | 119.9° |
C15 | C24 | H17 | 121.0° | 120.1° |
C13 | C12 | C11 | 120.6° | 120.2° |
C13 | C12 | H9 | 119.7° | 119.9° |
C12 | C13 | H10 | 120.1° | 119.9° |
C24 | C11 | C12 | 120.5° | 120.2° |
C24 | C11 | C10 | 119.9° | 119.9° |
C11 | C24 | H17 | 121.1° | 120.1° |
C12 | C11 | C10 | 119.6° | 119.9° |
C11 | C12 | H9 | 119.7° | 119.9° |
C11 | C10 | N09 | 106.2° | 109.5° |
C11 | C10 | H7 | 110.3° | 109.4° |
C11 | C10 | H8 | 110.3° | 109.5° |
C10 | N09 | C02 | 118.2° | 120.0° |
C10 | N09 | H6 | 120.9° | 120.1° |
N09 | C10 | H7 | 110.3° | 109.5° |
N09 | C10 | H8 | 110.3° | 109.5° |
O01 | C02 | N09 | 121.6° | 120.0° |
O01 | C02 | C03 | 121.9° | 120.0° |
N09 | C02 | C03 | 116.5° | 120.0° |
C02 | N09 | H6 | 120.9° | 119.9° |
C02 | C03 | C08 | 120.0° | 120.1° |
C02 | C03 | C04 | 118.9° | 120.1° |
C08 | C03 | C04 | 121.1° | 119.8° |
C03 | C08 | C07 | 119.1° | 119.9° |
C03 | C08 | H5 | 120.4° | 120.1° |
C03 | C04 | C05 | 119.7° | 119.8° |
C03 | C04 | H1 | 120.2° | 120.2° |
C08 | C07 | C06 | 120.3° | 120.1° |
C08 | C07 | H4 | 119.9° | 120.0° |
C07 | C08 | H5 | 120.5° | 120.0° |
C04 | C05 | C06 | 119.5° | 120.2° |
C05 | C04 | H1 | 120.1° | 120.0° |
C04 | C05 | H2 | 120.2° | 119.9° |
C07 | C06 | C05 | 120.3° | 120.3° |
C07 | C06 | H3 | 119.8° | 119.8° |
C06 | C07 | H4 | 119.9° | 119.9° |
C06 | C05 | H2 | 120.2° | 119.9° |
C05 | C06 | H3 | 119.8° | 119.9° |
H7 | C10 | H8 | 109.5° | 109.5° |
H13 | C19 | H18 | 109.4° | 110.1° |
H14 | C20 | H19 | 109.5° | 110.9° |
H15 | C21 | H20 | 109.5° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C19 | C20 | C21 | H14 | 119.4° | 118.2° |
C19 | C20 | C21 | H19 | 119.5° | 118.1° |
C20 | C19 | N18 | H13 | 119.8° | 119.0° |
C20 | C19 | N18 | H18 | 119.8° | 119.2° |
C19 | C20 | C21 | C22 | 8.4° | 25.2° |
C20 | C19 | N18 | C22 | 5.6° | 17.1° |
C20 | C19 | N18 | C17 | 174.8° | 163.4° |
C20 | C19 | H13 | H18 | 120.6° | 121.9° |
C19 | C20 | H14 | H19 | 121.6° | 123.8° |
C19 | C20 | C21 | H15 | 111.2° | 93.5° |
C19 | C20 | C21 | H20 | 128.0° | 143.8° |
C21 | C20 | C19 | N18 | 8.7° | 25.8° |
C20 | C21 | C22 | H15 | 119.6° | 118.6° |
C20 | C21 | C22 | H20 | 119.6° | 118.6° |
C20 | C21 | C22 | N18 | 5.3° | 16.6° |
C20 | C21 | C22 | N23 | 173.7° | 163.4° |
C21 | C20 | C19 | H13 | 128.5° | 93.3° |
C21 | C20 | H14 | H19 | 121.5° | 123.8° |
C20 | C21 | H15 | H20 | 121.2° | 122.6° |
C21 | C20 | C19 | H18 | 111.1° | 144.9° |
C19 | N18 | C22 | C21 | 0.2° | 0.3° |
C19 | N18 | C22 | C17 | 179.7° | 179.7° |
C19 | N18 | C22 | N23 | 179.6° | 179.7° |
C19 | N18 | C17 | C16 | 179.4° | 179.4° |
C19 | N18 | C17 | H12 | 0.6° | 0.7° |
N18 | C19 | H13 | H18 | 120.5° | 121.9° |
N18 | C19 | C20 | H14 | 128.2° | 143.9° |
N18 | C19 | C20 | H19 | 110.7° | 92.3° |
C21 | C22 | N18 | N23 | 179.4° | 180.0° |
C21 | C22 | N18 | C17 | 179.9° | 179.9° |
C21 | C22 | N23 | C16 | 179.0° | 179.8° |
C22 | C21 | C20 | H14 | 127.9° | 143.3° |
C22 | C21 | H15 | H20 | 121.2° | 122.6° |
C22 | C21 | C20 | H19 | 111.1° | 92.9° |
C22 | N18 | C17 | C16 | 1.0° | 0.1° |
N18 | C22 | N23 | C16 | 0.0° | 0.3° |
C22 | N18 | C17 | H12 | 178.9° | 179.9° |
C22 | N18 | C19 | H13 | 125.4° | 101.9° |
N18 | C22 | C21 | H15 | 114.4° | 102.1° |
C22 | N18 | C19 | H18 | 114.3° | 136.3° |
N18 | C22 | C21 | H20 | 124.9° | 135.2° |
C17 | N18 | C22 | N23 | 0.7° | 0.1° |
N18 | C17 | C16 | H12 | 180.0° | 180.0° |
N18 | C17 | C16 | N23 | 1.1° | 0.3° |
N18 | C17 | C16 | C15 | 178.1° | 180.0° |
C17 | N18 | C19 | H13 | 55.0° | 77.6° |
C17 | N18 | C19 | H18 | 65.3° | 44.2° |
C22 | N23 | C16 | C17 | 0.6° | 0.3° |
C22 | N23 | C16 | C15 | 177.7° | 179.9° |
N23 | C22 | C21 | H15 | 66.6° | 78.0° |
N23 | C22 | C21 | H20 | 54.1° | 44.8° |
C17 | C16 | N23 | C15 | 177.1° | 179.8° |
C17 | C16 | C15 | C14 | 26.1° | 5.0° |
C17 | C16 | C15 | C24 | 150.9° | 174.7° |
N23 | C16 | C15 | C14 | 157.3° | 175.3° |
N23 | C16 | C15 | C24 | 25.8° | 5.0° |
N23 | C16 | C17 | H12 | 178.9° | 179.7° |
C16 | C15 | C14 | C24 | 176.7° | 179.7° |
C16 | C15 | C14 | C13 | 176.3° | 180.0° |
C16 | C15 | C24 | C11 | 177.7° | 179.7° |
C16 | C15 | C14 | H11 | 3.7° | 0.3° |
C15 | C16 | C17 | H12 | 1.9° | 0.1° |
C16 | C15 | C24 | H17 | 2.3° | 0.3° |
C15 | C14 | C13 | H11 | 180.0° | 179.8° |
C15 | C14 | C13 | C12 | 0.9° | 0.1° |
C14 | C15 | C24 | C11 | 0.9° | 0.5° |
C15 | C14 | C13 | H10 | 179.1° | 180.0° |
C14 | C15 | C24 | H17 | 179.1° | 180.0° |
C13 | C14 | C15 | C24 | 0.4° | 0.2° |
C14 | C13 | C12 | H10 | 180.0° | 179.9° |
C14 | C13 | C12 | C11 | 0.1° | 0.1° |
C14 | C13 | C12 | H9 | 179.9° | 179.9° |
C15 | C24 | C11 | H17 | 180.0° | 179.5° |
C15 | C24 | C11 | C12 | 1.7° | 0.5° |
C15 | C24 | C11 | C10 | 179.6° | 179.7° |
C24 | C15 | C14 | H11 | 179.5° | 180.0° |
C13 | C12 | C11 | C24 | 1.2° | 0.2° |
C13 | C12 | C11 | H9 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 180.0° | 180.0° |
C12 | C13 | C14 | H11 | 179.1° | 179.7° |
C24 | C11 | C12 | C10 | 178.7° | 179.7° |
C24 | C11 | C10 | N09 | 88.9° | 90.3° |
C24 | C11 | C10 | H7 | 30.6° | 149.7° |
C24 | C11 | C10 | H8 | 151.6° | 29.7° |
C24 | C11 | C12 | H9 | 178.8° | 179.8° |
C12 | C11 | C10 | N09 | 89.8° | 90.0° |
C12 | C11 | C10 | H7 | 150.7° | 30.0° |
C12 | C11 | C10 | H8 | 29.6° | 150.0° |
C11 | C12 | C13 | H10 | 179.9° | 180.0° |
C12 | C11 | C24 | H17 | 178.3° | 180.0° |
C11 | C10 | N09 | H7 | 119.5° | 120.0° |
C11 | C10 | N09 | H8 | 119.5° | 120.0° |
C11 | C10 | N09 | C02 | 89.6° | 180.0° |
C11 | C10 | N09 | H6 | 90.4° | 0.0° |
C11 | C10 | H7 | H8 | 121.5° | 120.0° |
C10 | C11 | C12 | H9 | 0.1° | 0.1° |
C10 | C11 | C24 | H17 | 0.4° | 0.3° |
C10 | N09 | C02 | O01 | 1.6° | 0.0° |
C10 | N09 | C02 | H6 | 180.0° | 180.0° |
C10 | N09 | C02 | C03 | 178.0° | 179.7° |
N09 | C10 | H7 | H8 | 121.5° | 120.0° |
O01 | C02 | N09 | C03 | 179.6° | 179.7° |
O01 | C02 | C03 | C08 | 24.5° | 0.1° |
O01 | C02 | C03 | C04 | 155.2° | 179.7° |
O01 | C02 | N09 | H6 | 178.4° | 180.0° |
N09 | C02 | C03 | C08 | 155.1° | 179.8° |
N09 | C02 | C03 | C04 | 25.2° | 0.6° |
C02 | N09 | C10 | H7 | 29.9° | 60.0° |
C02 | N09 | C10 | H8 | 150.9° | 60.0° |
C02 | C03 | C08 | C04 | 179.7° | 179.6° |
C02 | C03 | C08 | C07 | 179.9° | 179.7° |
C02 | C03 | C04 | C05 | 179.9° | 180.0° |
C02 | C03 | C04 | H1 | 0.1° | 0.1° |
C02 | C03 | C08 | H5 | 0.1° | 0.1° |
C03 | C02 | N09 | H6 | 2.1° | 0.3° |
C03 | C08 | C07 | H5 | 180.0° | 179.7° |
C08 | C03 | C04 | C05 | 0.2° | 0.4° |
C03 | C08 | C07 | C06 | 0.1° | 0.6° |
C08 | C03 | C04 | H1 | 179.7° | 179.7° |
C03 | C08 | C07 | H4 | 179.9° | 179.6° |
C04 | C03 | C08 | C07 | 0.2° | 0.7° |
C03 | C04 | C05 | H1 | 180.0° | 179.9° |
C03 | C04 | C05 | C06 | 0.0° | 0.1° |
C03 | C04 | C05 | H2 | 179.9° | 180.0° |
C04 | C03 | C08 | H5 | 179.8° | 179.7° |
C08 | C07 | C06 | H4 | 180.0° | 179.8° |
C08 | C07 | C06 | C05 | 0.4° | 0.3° |
C08 | C07 | C06 | H3 | 179.7° | 179.7° |
C04 | C05 | C06 | C07 | 0.3° | 0.0° |
C04 | C05 | C06 | H2 | 180.0° | 180.0° |
C04 | C05 | C06 | H3 | 179.7° | 180.0° |
C07 | C06 | C05 | H3 | 180.0° | 180.0° |
C07 | C06 | C05 | H2 | 179.6° | 180.0° |
C06 | C07 | C08 | H5 | 179.9° | 179.7° |
C06 | C05 | C04 | H1 | 180.0° | 180.0° |
C05 | C06 | C07 | H4 | 179.6° | 179.9° |
H1 | C04 | C05 | H2 | 0.0° | 0.1° |
H2 | C05 | C06 | H3 | 0.3° | 0.0° |
H3 | C06 | C07 | H4 | 0.4° | 0.1° |
H4 | C07 | C08 | H5 | 0.1° | 0.0° |
H6 | N09 | C10 | H7 | 150.1° | 119.9° |
H6 | N09 | C10 | H8 | 29.1° | 120.0° |
H9 | C12 | C13 | H10 | 0.1° | 0.0° |
H10 | C13 | C14 | H11 | 0.9° | 0.2° |
H13 | C19 | C20 | H14 | 112.0° | 24.9° |
H13 | C19 | C20 | H19 | 9.1° | 148.6° |
H14 | C20 | C21 | H15 | 8.2° | 24.7° |
H14 | C20 | C19 | H18 | 8.3° | 97.0° |
H14 | C20 | C21 | H20 | 112.5° | 98.0° |
H15 | C21 | C20 | H19 | 129.3° | 148.5° |
H18 | C19 | C20 | H19 | 129.4° | 26.8° |
H19 | C20 | C21 | H20 | 8.5° | 25.8° |