GYO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | N05 | doub | 1.30Å | 1.36Å | Aromatic |
C04 | N03 | sing | 1.36Å | 1.36Å | Aromatic |
N05 | C01 | sing | 1.36Å | 1.33Å | Aromatic |
N03 | C02 | sing | 1.38Å | 1.32Å | Aromatic |
C01 | C02 | doub | 1.41Å | 1.39Å | Aromatic |
C01 | C06 | sing | 1.40Å | 1.58Å | Aromatic |
C02 | C09 | sing | 1.38Å | 1.57Å | Aromatic |
C06 | C07 | doub | 1.36Å | 1.51Å | Aromatic |
C09 | C08 | doub | 1.39Å | 1.52Å | Aromatic |
C07 | C08 | sing | 1.40Å | 1.49Å | Aromatic |
C08 | C10 | sing | 1.48Å | 1.55Å | |
C10 | O12 | doub | 1.22Å | 1.19Å | |
C10 | N11 | sing | 1.35Å | 1.47Å | |
C23 | O22 | sing | 1.43Å | 1.42Å | |
C13 | N11 | sing | 1.47Å | 1.48Å | |
C13 | C14 | sing | 1.53Å | 1.56Å | |
C13 | C15 | sing | 1.53Å | 1.52Å | |
O22 | C21 | sing | 1.36Å | 1.41Å | |
C14 | C15 | sing | 1.53Å | 1.51Å | |
C14 | C16 | sing | 1.51Å | 1.55Å | |
C21 | C16 | doub | 1.39Å | 1.53Å | Aromatic |
C21 | C20 | sing | 1.39Å | 1.54Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.54Å | Aromatic |
C20 | C19 | doub | 1.38Å | 1.54Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.53Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.54Å | Aromatic |
C04 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.08Å | 1.08Å | |
C07 | H3 | sing | 1.08Å | 1.08Å | |
C09 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C14 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.08Å | 1.08Å | |
C20 | H12 | sing | 1.08Å | 1.08Å | |
C23 | H13 | sing | 1.09Å | 1.10Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
C23 | H15 | sing | 1.09Å | 1.10Å | |
N03 | H16 | sing | 0.97Å | 1.00Å | |
N11 | H18 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N05 | C04 | N03 | 108.3° | 110.1° |
C04 | N05 | C01 | 107.7° | 109.7° |
N05 | C04 | H1 | 125.9° | 124.9° |
C04 | N03 | C02 | 107.9° | 107.3° |
N03 | C04 | H1 | 125.9° | 124.9° |
C04 | N03 | H16 | 126.0° | 126.3° |
N05 | C01 | C02 | 108.1° | 106.9° |
N05 | C01 | C06 | 131.2° | 133.4° |
N03 | C02 | C01 | 108.0° | 106.0° |
N03 | C02 | C09 | 131.8° | 134.0° |
C02 | N03 | H16 | 126.0° | 126.4° |
C02 | C01 | C06 | 120.8° | 119.7° |
C01 | C02 | C09 | 120.2° | 120.0° |
C01 | C06 | C07 | 119.3° | 120.1° |
C01 | C06 | H2 | 120.3° | 120.0° |
C02 | C09 | C08 | 120.3° | 119.5° |
C02 | C09 | H4 | 119.9° | 120.3° |
C06 | C07 | C08 | 120.6° | 120.5° |
C07 | C06 | H2 | 120.3° | 120.0° |
C06 | C07 | H3 | 119.8° | 119.8° |
C09 | C08 | C07 | 118.8° | 120.1° |
C09 | C08 | C10 | 124.3° | 119.9° |
C08 | C09 | H4 | 119.9° | 120.2° |
C07 | C08 | C10 | 116.8° | 120.0° |
C08 | C07 | H3 | 119.7° | 119.7° |
C08 | C10 | O12 | 116.1° | 120.0° |
C08 | C10 | N11 | 126.2° | 120.0° |
O12 | C10 | N11 | 117.8° | 120.0° |
C10 | N11 | C13 | 124.8° | 120.0° |
C10 | N11 | H18 | 117.6° | 120.0° |
C23 | O22 | C21 | 111.5° | 117.0° |
O22 | C23 | H13 | 109.5° | 109.5° |
O22 | C23 | H14 | 109.5° | 109.5° |
O22 | C23 | H15 | 109.5° | 109.5° |
N11 | C13 | C14 | 127.6° | 117.5° |
N11 | C13 | C15 | 111.6° | 117.5° |
N11 | C13 | H5 | 115.5° | 115.6° |
C13 | N11 | H18 | 117.6° | 120.0° |
C14 | C13 | C15 | 58.7° | 60.0° |
C13 | C14 | C15 | 59.1° | 60.0° |
C13 | C14 | C16 | 144.3° | 117.5° |
C14 | C13 | H5 | 114.1° | 117.5° |
C13 | C14 | H6 | 106.9° | 117.5° |
C13 | C15 | C14 | 62.2° | 60.0° |
C15 | C13 | H5 | 114.9° | 117.5° |
C13 | C15 | H7 | 119.6° | 117.4° |
C13 | C15 | H8 | 119.6° | 117.5° |
O22 | C21 | C16 | 119.0° | 120.1° |
O22 | C21 | C20 | 121.7° | 120.1° |
C15 | C14 | C16 | 118.9° | 117.4° |
C15 | C14 | H6 | 107.6° | 117.5° |
C14 | C15 | H7 | 119.6° | 117.5° |
C14 | C15 | H8 | 119.6° | 117.6° |
C14 | C16 | C21 | 118.3° | 120.0° |
C14 | C16 | C17 | 120.9° | 120.1° |
C16 | C14 | H6 | 107.1° | 115.6° |
C16 | C21 | C20 | 119.3° | 119.8° |
C21 | C16 | C17 | 120.7° | 120.0° |
C21 | C20 | C19 | 120.0° | 120.0° |
C21 | C20 | H12 | 120.0° | 120.0° |
C16 | C17 | C18 | 120.3° | 120.1° |
C16 | C17 | H9 | 119.8° | 120.0° |
C20 | C19 | C18 | 120.4° | 120.0° |
C20 | C19 | H11 | 119.8° | 120.0° |
C19 | C20 | H12 | 120.0° | 120.0° |
C17 | C18 | C19 | 119.2° | 120.1° |
C18 | C17 | H9 | 119.9° | 119.9° |
C17 | C18 | H10 | 120.4° | 120.0° |
C19 | C18 | H10 | 120.4° | 119.9° |
C18 | C19 | H11 | 119.8° | 120.0° |
H7 | C15 | H8 | 109.5° | 115.6° |
H13 | C23 | H14 | 109.5° | 109.5° |
H13 | C23 | H15 | 109.5° | 109.4° |
H14 | C23 | H15 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N05 | C04 | N03 | H1 | 180.0° | 179.5° |
N05 | C04 | N03 | C02 | 1.2° | 0.3° |
C04 | N05 | C01 | C02 | 0.2° | 0.4° |
C04 | N05 | C01 | C06 | 179.5° | 179.9° |
N05 | C04 | N03 | H16 | 178.9° | 179.9° |
N03 | C04 | N05 | C01 | 0.8° | 0.4° |
C04 | N03 | C02 | H16 | 180.0° | 179.8° |
C04 | N03 | C02 | C01 | 1.0° | 0.0° |
C04 | N03 | C02 | C09 | 179.9° | 180.0° |
N05 | C01 | C02 | N03 | 0.5° | 0.2° |
N05 | C01 | C02 | C06 | 179.4° | 179.8° |
N05 | C01 | C02 | C09 | 179.7° | 179.8° |
N05 | C01 | C06 | C07 | 179.9° | 179.7° |
C01 | N05 | C04 | H1 | 179.2° | 179.9° |
N05 | C01 | C06 | H2 | 0.1° | 0.3° |
N03 | C02 | C01 | C09 | 179.2° | 180.0° |
N03 | C02 | C01 | C06 | 178.9° | 180.0° |
N03 | C02 | C09 | C08 | 178.4° | 180.0° |
C02 | N03 | C04 | H1 | 178.9° | 179.8° |
N03 | C02 | C09 | H4 | 1.6° | 0.0° |
C02 | C01 | C06 | C07 | 0.9° | 0.0° |
C01 | C02 | C09 | C08 | 0.6° | 0.0° |
C02 | C01 | C06 | H2 | 179.1° | 180.0° |
C01 | C02 | C09 | H4 | 179.4° | 180.0° |
C01 | C02 | N03 | H16 | 179.0° | 179.8° |
C06 | C01 | C02 | C09 | 0.3° | 0.0° |
C01 | C06 | C07 | H2 | 180.0° | 180.0° |
C01 | C06 | C07 | C08 | 1.7° | 0.0° |
C01 | C06 | C07 | H3 | 178.3° | 180.0° |
C02 | C09 | C08 | H4 | 180.0° | 180.0° |
C02 | C09 | C08 | C07 | 1.3° | 0.0° |
C02 | C09 | C08 | C10 | 179.0° | 180.0° |
C09 | C02 | N03 | H16 | 0.1° | 0.2° |
C06 | C07 | C08 | C09 | 1.9° | 0.0° |
C06 | C07 | C08 | H3 | 180.0° | 180.0° |
C06 | C07 | C08 | C10 | 179.8° | 180.0° |
C09 | C08 | C07 | C10 | 177.9° | 179.9° |
C09 | C08 | C10 | O12 | 159.7° | 0.1° |
C09 | C08 | C10 | N11 | 18.9° | 180.0° |
C09 | C08 | C07 | H3 | 178.1° | 180.0° |
C07 | C08 | C10 | O12 | 18.0° | 180.0° |
C07 | C08 | C10 | N11 | 163.4° | 0.0° |
C08 | C07 | C06 | H2 | 178.3° | 180.0° |
C07 | C08 | C09 | H4 | 178.7° | 180.0° |
C08 | C10 | O12 | N11 | 178.7° | 180.0° |
C08 | C10 | N11 | C13 | 2.3° | 180.0° |
C10 | C08 | C07 | H3 | 0.2° | 0.0° |
C10 | C08 | C09 | H4 | 1.0° | 0.0° |
C08 | C10 | N11 | H18 | 177.7° | 0.0° |
O12 | C10 | N11 | C13 | 179.1° | 0.0° |
O12 | C10 | N11 | H18 | 0.8° | 180.0° |
C10 | N11 | C13 | H18 | 180.0° | 180.0° |
C10 | N11 | C13 | C14 | 179.0° | 155.0° |
C10 | N11 | C13 | C15 | 112.5° | 136.4° |
C10 | N11 | C13 | H5 | 21.1° | 9.3° |
C23 | O22 | C21 | C16 | 132.5° | 180.0° |
C23 | O22 | C21 | C20 | 47.8° | 0.2° |
O22 | C23 | H13 | H14 | 120.0° | 120.1° |
O22 | C23 | H13 | H15 | 120.0° | 120.0° |
O22 | C23 | H14 | H15 | 120.0° | 120.0° |
N11 | C13 | C14 | C15 | 94.4° | 107.5° |
N11 | C13 | C14 | H5 | 160.1° | 145.0° |
N11 | C13 | C15 | H5 | 134.0° | 145.0° |
N11 | C13 | C14 | C16 | 3.2° | 0.0° |
N11 | C13 | C14 | H6 | 164.9° | 145.0° |
N11 | C13 | C15 | H7 | 128.1° | 145.0° |
N11 | C13 | C15 | H8 | 11.8° | 0.1° |
C14 | C13 | C15 | H5 | 104.2° | 107.5° |
C13 | C14 | C15 | C16 | 138.6° | 107.5° |
C13 | C14 | C15 | H6 | 99.6° | 107.5° |
C13 | C14 | C16 | H6 | 161.7° | 145.7° |
C13 | C14 | C16 | C21 | 107.7° | 119.8° |
C13 | C14 | C16 | C17 | 75.2° | 60.0° |
C14 | C13 | C15 | H7 | 110.1° | 107.5° |
C14 | C13 | C15 | H8 | 110.1° | 107.6° |
C14 | C13 | N11 | H18 | 1.0° | 25.0° |
C13 | C15 | H7 | H8 | 143.6° | 145.6° |
C15 | C13 | N11 | H18 | 67.5° | 43.6° |
O22 | C21 | C16 | C14 | 1.5° | 0.0° |
O22 | C21 | C16 | C20 | 179.7° | 179.8° |
O22 | C21 | C16 | C17 | 178.6° | 179.7° |
O22 | C21 | C20 | C19 | 179.7° | 179.7° |
O22 | C21 | C20 | H12 | 0.3° | 0.1° |
C21 | O22 | C23 | H13 | 180.0° | 180.0° |
C21 | O22 | C23 | H14 | 60.0° | 59.9° |
C21 | O22 | C23 | H15 | 60.0° | 60.1° |
C15 | C14 | C16 | H6 | 122.0° | 145.7° |
C15 | C14 | C16 | C21 | 176.0° | 171.6° |
C15 | C14 | C16 | C17 | 1.1° | 8.6° |
C14 | C15 | H7 | H8 | 143.6° | 145.8° |
C14 | C16 | C21 | C17 | 177.1° | 179.8° |
C14 | C16 | C21 | C20 | 178.7° | 179.7° |
C14 | C16 | C17 | C18 | 179.2° | 180.0° |
C16 | C14 | C13 | H5 | 156.9° | 145.0° |
C16 | C14 | C15 | H7 | 111.3° | 145.1° |
C16 | C14 | C15 | H8 | 28.6° | 0.0° |
C14 | C16 | C17 | H9 | 0.8° | 0.0° |
C16 | C21 | C20 | C19 | 0.5° | 0.5° |
C21 | C16 | C17 | C18 | 2.2° | 0.2° |
C21 | C16 | C14 | H6 | 53.9° | 25.9° |
C21 | C16 | C17 | H9 | 177.8° | 179.8° |
C16 | C21 | C20 | H12 | 179.4° | 179.7° |
C20 | C21 | C16 | C17 | 1.6° | 0.5° |
C21 | C20 | C19 | H12 | 180.0° | 179.8° |
C21 | C20 | C19 | C18 | 0.0° | 0.2° |
C21 | C20 | C19 | H11 | 180.0° | 179.8° |
C16 | C17 | C18 | H9 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 1.7° | 0.1° |
C17 | C16 | C14 | H6 | 123.1° | 154.3° |
C16 | C17 | C18 | H10 | 178.4° | 179.9° |
C20 | C19 | C18 | C17 | 0.6° | 0.1° |
C20 | C19 | C18 | H11 | 180.0° | 180.0° |
C20 | C19 | C18 | H10 | 179.5° | 179.9° |
C17 | C18 | C19 | H10 | 180.0° | 179.9° |
C17 | C18 | C19 | H11 | 179.5° | 180.0° |
C19 | C18 | C17 | H9 | 178.4° | 180.0° |
C18 | C19 | C20 | H12 | 180.0° | 180.0° |
H1 | C04 | N03 | H16 | 1.1° | 0.4° |
H2 | C06 | C07 | H3 | 1.7° | 0.0° |
H5 | C13 | C14 | H6 | 4.8° | 0.0° |
H5 | C13 | C15 | H7 | 5.9° | 0.0° |
H5 | C13 | C15 | H8 | 145.7° | 145.0° |
H5 | C13 | N11 | H18 | 158.9° | 170.7° |
H6 | C14 | C15 | H7 | 10.5° | 0.1° |
H6 | C14 | C15 | H8 | 150.4° | 145.0° |
H9 | C17 | C18 | H10 | 1.6° | 0.1° |
H10 | C18 | C19 | H11 | 0.5° | 0.1° |
H11 | C19 | C20 | H12 | 0.0° | 0.0° |
H13 | C23 | H14 | H15 | 120.0° | 119.9° |