GON
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C18 | N17 | doub | 1.31Å | 1.32Å | Aromatic |
C18 | C19 | sing | 1.41Å | 1.39Å | Aromatic |
C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
N17 | N16 | sing | 1.40Å | 1.36Å | Aromatic |
C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
C19 | C20 | sing | 1.48Å | 1.40Å | |
C19 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
C20 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
N16 | C15 | sing | 1.36Å | 1.33Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.48Å | 1.39Å | |
C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
C14 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
O27 | C26 | sing | 1.36Å | 1.40Å | |
C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C28 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | O10 | sing | 1.36Å | 1.40Å | |
O10 | C09 | sing | 1.43Å | 1.40Å | |
C09 | C08 | sing | 1.53Å | 1.53Å | |
C08 | N07 | sing | 1.47Å | 1.22Å | |
N07 | C29 | sing | 1.47Å | 1.43Å | |
N07 | C06 | sing | 1.47Å | 1.43Å | |
C29 | C30 | sing | 1.53Å | 1.53Å | |
C06 | C05 | sing | 1.53Å | 1.53Å | |
C30 | C04 | sing | 1.53Å | 1.45Å | |
C05 | C04 | sing | 1.53Å | 1.45Å | |
O03 | C02 | doub | 1.21Å | 1.19Å | |
C04 | C02 | sing | 1.51Å | 1.53Å | |
C02 | N01 | sing | 1.35Å | 1.45Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C21 | H2 | sing | 1.08Å | 1.08Å | |
C22 | H3 | sing | 1.08Å | 1.08Å | |
C24 | H4 | sing | 1.08Å | 1.08Å | |
C28 | H5 | sing | 1.08Å | 1.08Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C08 | H11 | sing | 1.09Å | 1.10Å | |
C08 | H12 | sing | 1.09Å | 1.10Å | |
C09 | H13 | sing | 1.09Å | 1.10Å | |
C09 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.08Å | 1.08Å | |
C18 | H16 | sing | 1.08Å | 1.08Å | |
C23 | H17 | sing | 1.08Å | 1.08Å | |
C25 | H18 | sing | 1.08Å | 1.08Å | |
C29 | H19 | sing | 1.09Å | 1.10Å | |
C29 | H20 | sing | 1.09Å | 1.10Å | |
C30 | H21 | sing | 1.09Å | 1.10Å | |
C30 | H22 | sing | 1.09Å | 1.10Å | |
N01 | H23 | sing | 0.97Å | 1.00Å | |
N01 | H24 | sing | 0.97Å | 1.00Å | |
N16 | H26 | sing | 0.97Å | 1.00Å | |
O27 | H27 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N17 | C18 | C19 | 108.2° | 108.5° |
C18 | N17 | N16 | 108.7° | 109.2° |
N17 | C18 | H16 | 125.9° | 125.7° |
C18 | C19 | C20 | 124.5° | 126.4° |
C18 | C19 | C15 | 106.4° | 107.3° |
C19 | C18 | H16 | 125.9° | 125.7° |
C21 | C22 | C23 | 120.0° | 120.1° |
C22 | C21 | C20 | 120.6° | 119.9° |
C22 | C21 | H2 | 119.7° | 120.0° |
C21 | C22 | H3 | 120.1° | 119.9° |
C22 | C23 | C24 | 119.6° | 120.3° |
C23 | C22 | H3 | 120.0° | 120.0° |
C22 | C23 | H17 | 120.2° | 119.9° |
C21 | C20 | C19 | 119.6° | 120.1° |
C21 | C20 | C25 | 119.4° | 119.8° |
C20 | C21 | H2 | 119.7° | 120.1° |
N17 | N16 | C15 | 109.7° | 108.0° |
N17 | N16 | H26 | 125.2° | 126.0° |
C23 | C24 | C25 | 120.4° | 120.2° |
C23 | C24 | H4 | 119.8° | 120.0° |
C24 | C23 | H17 | 120.2° | 119.9° |
C20 | C19 | C15 | 129.1° | 126.4° |
C19 | C20 | C25 | 120.9° | 120.1° |
C19 | C15 | N16 | 107.0° | 107.0° |
C19 | C15 | C14 | 128.4° | 126.5° |
C20 | C25 | C24 | 120.1° | 119.8° |
C20 | C25 | H18 | 120.0° | 120.1° |
N16 | C15 | C14 | 124.6° | 126.5° |
C15 | N16 | H26 | 125.2° | 126.0° |
C25 | C24 | H4 | 119.9° | 119.9° |
C24 | C25 | H18 | 119.9° | 120.1° |
C15 | C14 | C13 | 120.0° | 120.1° |
C15 | C14 | C26 | 120.9° | 120.1° |
C13 | C14 | C26 | 119.1° | 119.8° |
C14 | C13 | C12 | 120.4° | 119.9° |
C14 | C13 | H1 | 119.8° | 120.0° |
C14 | C26 | O27 | 120.6° | 120.1° |
C14 | C26 | C28 | 120.4° | 119.8° |
C13 | C12 | C11 | 120.6° | 120.2° |
C12 | C13 | H1 | 119.8° | 120.0° |
C13 | C12 | H15 | 119.7° | 119.9° |
O27 | C26 | C28 | 119.0° | 120.1° |
C26 | O27 | H27 | 109.5° | 114.0° |
C26 | C28 | C11 | 120.0° | 120.0° |
C26 | C28 | H5 | 120.0° | 120.0° |
C12 | C11 | C28 | 119.5° | 120.2° |
C12 | C11 | O10 | 118.8° | 119.9° |
C11 | C12 | H15 | 119.7° | 119.9° |
C28 | C11 | O10 | 121.8° | 119.9° |
C11 | C28 | H5 | 120.0° | 119.9° |
C11 | O10 | C09 | 117.9° | 117.0° |
O10 | C09 | C08 | 106.3° | 109.4° |
O10 | C09 | H13 | 110.2° | 109.5° |
O10 | C09 | H14 | 110.2° | 109.5° |
C09 | C08 | N07 | 116.5° | 109.5° |
C09 | C08 | H11 | 107.7° | 109.4° |
C09 | C08 | H12 | 107.7° | 109.5° |
C08 | C09 | H13 | 110.3° | 109.4° |
C08 | C09 | H14 | 110.3° | 109.5° |
C08 | N07 | C29 | 117.4° | 111.0° |
C08 | N07 | C06 | 113.7° | 111.1° |
N07 | C08 | H11 | 107.7° | 109.4° |
N07 | C08 | H12 | 107.7° | 109.5° |
C29 | N07 | C06 | 112.1° | 111.3° |
N07 | C29 | C30 | 109.9° | 109.5° |
N07 | C29 | H19 | 109.4° | 109.6° |
N07 | C29 | H20 | 109.4° | 109.4° |
N07 | C06 | C05 | 110.2° | 109.5° |
N07 | C06 | H9 | 109.3° | 109.4° |
N07 | C06 | H10 | 109.3° | 109.4° |
C29 | C30 | C04 | 115.1° | 109.3° |
C30 | C29 | H19 | 109.3° | 109.4° |
C30 | C29 | H20 | 109.3° | 109.4° |
C29 | C30 | H21 | 108.0° | 109.5° |
C29 | C30 | H22 | 108.1° | 109.5° |
C06 | C05 | C04 | 114.9° | 109.3° |
C06 | C05 | H7 | 108.1° | 109.5° |
C06 | C05 | H8 | 108.1° | 109.6° |
C05 | C06 | H9 | 109.3° | 109.5° |
C05 | C06 | H10 | 109.3° | 109.5° |
C30 | C04 | C05 | 115.6° | 109.2° |
C30 | C04 | C02 | 109.7° | 109.6° |
C30 | C04 | H6 | 107.4° | 109.5° |
C04 | C30 | H21 | 108.1° | 109.4° |
C04 | C30 | H22 | 108.1° | 109.5° |
C05 | C04 | C02 | 109.8° | 109.5° |
C05 | C04 | H6 | 107.4° | 109.5° |
C04 | C05 | H7 | 108.1° | 109.5° |
C04 | C05 | H8 | 108.1° | 109.5° |
O03 | C02 | C04 | 120.3° | 120.0° |
O03 | C02 | N01 | 120.1° | 120.0° |
C04 | C02 | N01 | 119.7° | 120.0° |
C02 | C04 | H6 | 106.5° | 109.5° |
C02 | N01 | H23 | 120.0° | 120.0° |
C02 | N01 | H24 | 120.0° | 120.0° |
H7 | C05 | H8 | 109.5° | 109.5° |
H9 | C06 | H10 | 109.5° | 109.5° |
H11 | C08 | H12 | 109.5° | 109.4° |
H13 | C09 | H14 | 109.5° | 109.5° |
H19 | C29 | H20 | 109.5° | 109.4° |
H21 | C30 | H22 | 109.5° | 109.5° |
H23 | N01 | H24 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N17 | C18 | C19 | H16 | 180.0° | 180.0° |
N17 | C18 | C19 | C20 | 179.8° | 179.8° |
N17 | C18 | C19 | C15 | 0.0° | 0.1° |
C18 | N17 | N16 | C15 | 0.4° | 0.2° |
C18 | N17 | N16 | H26 | 179.6° | 179.9° |
C18 | C19 | C20 | C21 | 60.1° | 124.1° |
C19 | C18 | N17 | N16 | 0.2° | 0.1° |
C18 | C19 | C20 | C15 | 179.7° | 179.9° |
C18 | C19 | C20 | C25 | 119.5° | 55.6° |
C18 | C19 | C15 | N16 | 0.2° | 0.2° |
C18 | C19 | C15 | C14 | 179.7° | 179.9° |
C21 | C22 | C23 | H3 | 180.0° | 179.9° |
C22 | C21 | C20 | H2 | 180.0° | 180.0° |
C21 | C22 | C23 | C24 | 0.0° | 0.0° |
C22 | C21 | C20 | C19 | 179.8° | 179.7° |
C22 | C21 | C20 | C25 | 0.1° | 0.0° |
C21 | C22 | C23 | H17 | 180.0° | 179.9° |
C23 | C22 | C21 | C20 | 0.1° | 0.0° |
C22 | C23 | C24 | H17 | 180.0° | 180.0° |
C22 | C23 | C24 | C25 | 0.0° | 0.0° |
C23 | C22 | C21 | H2 | 179.9° | 180.0° |
C22 | C23 | C24 | H4 | 180.0° | 180.0° |
C21 | C20 | C19 | C25 | 179.7° | 179.7° |
C21 | C20 | C19 | C15 | 119.6° | 56.0° |
C21 | C20 | C25 | C24 | 0.1° | 0.0° |
C20 | C21 | C22 | H3 | 179.9° | 180.0° |
C21 | C20 | C25 | H18 | 179.9° | 180.0° |
N17 | N16 | C15 | C19 | 0.4° | 0.2° |
N17 | N16 | C15 | H26 | 180.0° | 179.9° |
N17 | N16 | C15 | C14 | 179.9° | 180.0° |
N16 | N17 | C18 | H16 | 179.8° | 180.0° |
C23 | C24 | C25 | C20 | 0.1° | 0.0° |
C23 | C24 | C25 | H4 | 180.0° | 180.0° |
C24 | C23 | C22 | H3 | 180.0° | 180.0° |
C23 | C24 | C25 | H18 | 179.9° | 180.0° |
C20 | C19 | C15 | N16 | 179.6° | 179.7° |
C19 | C20 | C25 | C24 | 179.8° | 179.7° |
C20 | C19 | C15 | C14 | 0.0° | 0.0° |
C19 | C20 | C21 | H2 | 0.2° | 0.3° |
C20 | C19 | C18 | H16 | 0.2° | 0.2° |
C19 | C20 | C25 | H18 | 0.2° | 0.3° |
C15 | C19 | C20 | C25 | 60.7° | 124.3° |
C19 | C15 | N16 | C14 | 179.5° | 179.7° |
C19 | C15 | C14 | C13 | 43.0° | 114.3° |
C19 | C15 | C14 | C26 | 138.2° | 65.7° |
C15 | C19 | C18 | H16 | 180.0° | 179.9° |
C19 | C15 | N16 | H26 | 179.6° | 179.8° |
C20 | C25 | C24 | H18 | 180.0° | 180.0° |
C25 | C20 | C21 | H2 | 179.9° | 180.0° |
C20 | C25 | C24 | H4 | 179.9° | 180.0° |
N16 | C15 | C14 | C13 | 136.5° | 66.1° |
N16 | C15 | C14 | C26 | 42.4° | 114.0° |
C25 | C24 | C23 | H17 | 180.0° | 179.9° |
C15 | C14 | C13 | C26 | 178.8° | 179.9° |
C15 | C14 | C13 | C12 | 179.7° | 180.0° |
C15 | C14 | C26 | O27 | 0.7° | 0.3° |
C15 | C14 | C26 | C28 | 179.5° | 180.0° |
C15 | C14 | C13 | H1 | 0.3° | 0.3° |
C14 | C15 | N16 | H26 | 0.1° | 0.1° |
C14 | C13 | C12 | H1 | 180.0° | 179.7° |
C13 | C14 | C26 | O27 | 179.6° | 179.7° |
C13 | C14 | C26 | C28 | 0.7° | 0.1° |
C14 | C13 | C12 | C11 | 0.5° | 0.3° |
C14 | C13 | C12 | H15 | 179.5° | 179.7° |
C26 | C14 | C13 | C12 | 0.9° | 0.0° |
C14 | C26 | O27 | C28 | 179.8° | 179.7° |
C14 | C26 | C28 | C11 | 0.1° | 0.4° |
C26 | C14 | C13 | H1 | 179.2° | 179.8° |
C14 | C26 | C28 | H5 | 179.9° | 180.0° |
C14 | C26 | O27 | H27 | 180.0° | 88.2° |
C13 | C12 | C11 | H15 | 180.0° | 180.0° |
C13 | C12 | C11 | C28 | 0.1° | 0.7° |
C13 | C12 | C11 | O10 | 179.4° | 180.0° |
O27 | C26 | C28 | C11 | 179.8° | 179.9° |
O27 | C26 | C28 | H5 | 0.1° | 0.3° |
C26 | C28 | C11 | C12 | 0.3° | 0.7° |
C26 | C28 | C11 | H5 | 180.0° | 179.6° |
C26 | C28 | C11 | O10 | 179.6° | 180.0° |
C28 | C26 | O27 | H27 | 0.2° | 91.5° |
C12 | C11 | C28 | O10 | 179.3° | 179.3° |
C12 | C11 | O10 | C09 | 140.8° | 0.7° |
C11 | C12 | C13 | H1 | 179.5° | 179.9° |
C12 | C11 | C28 | H5 | 179.7° | 179.7° |
C28 | C11 | O10 | C09 | 39.9° | 180.0° |
C28 | C11 | C12 | H15 | 179.9° | 179.4° |
C11 | O10 | C09 | C08 | 173.7° | 180.0° |
O10 | C11 | C28 | H5 | 0.4° | 0.4° |
C11 | O10 | C09 | H13 | 66.8° | 60.1° |
C11 | O10 | C09 | H14 | 54.2° | 60.0° |
O10 | C11 | C12 | H15 | 0.5° | 0.1° |
O10 | C09 | C08 | H13 | 119.5° | 120.0° |
O10 | C09 | C08 | H14 | 119.5° | 120.0° |
O10 | C09 | C08 | N07 | 171.2° | 65.1° |
O10 | C09 | C08 | H11 | 67.8° | 175.0° |
O10 | C09 | C08 | H12 | 50.1° | 55.0° |
O10 | C09 | H13 | H14 | 121.5° | 120.0° |
C09 | C08 | N07 | H11 | 121.0° | 119.9° |
C09 | C08 | N07 | H12 | 121.0° | 120.1° |
C09 | C08 | N07 | C29 | 30.6° | 170.0° |
C09 | C08 | N07 | C06 | 103.0° | 65.7° |
C09 | C08 | H11 | H12 | 116.8° | 120.0° |
C08 | C09 | H13 | H14 | 121.5° | 120.0° |
C08 | N07 | C29 | C06 | 134.3° | 124.2° |
C08 | N07 | C29 | C30 | 165.3° | 174.1° |
C08 | N07 | C06 | C05 | 163.4° | 174.1° |
C08 | N07 | C06 | H9 | 43.3° | 65.9° |
C08 | N07 | C06 | H10 | 76.4° | 54.1° |
N07 | C08 | H11 | H12 | 116.8° | 120.0° |
N07 | C08 | C09 | H13 | 51.7° | 175.0° |
N07 | C08 | C09 | H14 | 69.4° | 55.0° |
C08 | N07 | C29 | H19 | 74.6° | 54.1° |
C08 | N07 | C29 | H20 | 45.3° | 65.9° |
N07 | C29 | C30 | H19 | 120.1° | 120.1° |
N07 | C29 | C30 | H20 | 120.1° | 119.9° |
C29 | N07 | C06 | C05 | 60.5° | 61.7° |
N07 | C29 | C30 | C04 | 47.9° | 59.1° |
C29 | N07 | C06 | H9 | 179.4° | 58.3° |
C29 | N07 | C06 | H10 | 59.6° | 178.3° |
C29 | N07 | C08 | H11 | 90.4° | 70.1° |
C29 | N07 | C08 | H12 | 151.6° | 49.9° |
N07 | C29 | H19 | H20 | 119.8° | 120.0° |
N07 | C29 | C30 | H21 | 168.8° | 60.7° |
N07 | C29 | C30 | H22 | 72.9° | 179.1° |
C06 | N07 | C29 | C30 | 60.4° | 61.7° |
N07 | C06 | C05 | H9 | 120.1° | 119.9° |
N07 | C06 | C05 | H10 | 120.1° | 120.0° |
N07 | C06 | C05 | C04 | 48.0° | 59.1° |
N07 | C06 | C05 | H7 | 72.8° | 179.1° |
N07 | C06 | C05 | H8 | 168.8° | 60.8° |
N07 | C06 | H9 | H10 | 119.7° | 119.9° |
C06 | N07 | C08 | H11 | 135.9° | 54.3° |
C06 | N07 | C08 | H12 | 18.0° | 174.3° |
C06 | N07 | C29 | H19 | 59.7° | 178.3° |
C06 | N07 | C29 | H20 | 179.6° | 58.3° |
C29 | C30 | C04 | H21 | 120.8° | 119.9° |
C29 | C30 | C04 | H22 | 120.8° | 120.0° |
C29 | C30 | C04 | C05 | 37.5° | 57.7° |
C29 | C30 | C04 | C02 | 87.2° | 62.2° |
C29 | C30 | C04 | H6 | 157.4° | 177.6° |
C30 | C29 | H19 | H20 | 119.7° | 119.9° |
C29 | C30 | H21 | H22 | 117.5° | 120.1° |
C06 | C05 | C04 | C30 | 37.4° | 57.7° |
C06 | C05 | C04 | H7 | 120.8° | 119.9° |
C06 | C05 | C04 | H8 | 120.8° | 120.0° |
C06 | C05 | C04 | C02 | 87.3° | 62.3° |
C06 | C05 | C04 | H6 | 157.4° | 177.6° |
C06 | C05 | H7 | H8 | 117.5° | 120.1° |
C05 | C06 | H9 | H10 | 119.7° | 120.1° |
C30 | C04 | C05 | C02 | 124.7° | 120.0° |
C30 | C04 | C05 | H6 | 119.9° | 119.9° |
C30 | C04 | C02 | O03 | 22.6° | 119.9° |
C30 | C04 | C02 | H6 | 115.9° | 120.2° |
C30 | C04 | C02 | N01 | 158.3° | 60.1° |
C30 | C04 | C05 | H7 | 83.4° | 177.6° |
C30 | C04 | C05 | H8 | 158.2° | 62.3° |
C04 | C30 | C29 | H19 | 72.1° | 179.3° |
C04 | C30 | C29 | H20 | 168.0° | 60.8° |
C04 | C30 | H21 | H22 | 117.5° | 120.1° |
C05 | C04 | C02 | O03 | 150.7° | 0.1° |
C05 | C04 | C02 | H6 | 116.0° | 120.1° |
C05 | C04 | C02 | N01 | 30.2° | 179.9° |
C04 | C05 | H7 | H8 | 117.6° | 120.1° |
C04 | C05 | C06 | H9 | 168.1° | 60.8° |
C04 | C05 | C06 | H10 | 72.1° | 179.2° |
C05 | C04 | C30 | H21 | 158.3° | 62.2° |
C05 | C04 | C30 | H22 | 83.3° | 177.7° |
O03 | C02 | C04 | N01 | 179.1° | 180.0° |
O03 | C02 | C04 | H6 | 93.3° | 120.0° |
O03 | C02 | N01 | H23 | 0.0° | 180.0° |
O03 | C02 | N01 | H24 | 180.0° | 0.0° |
C02 | C04 | C05 | H7 | 151.9° | 57.7° |
C02 | C04 | C05 | H8 | 33.5° | 177.7° |
C02 | C04 | C30 | H21 | 33.6° | 177.8° |
C02 | C04 | C30 | H22 | 151.9° | 57.7° |
C04 | C02 | N01 | H23 | 179.1° | 0.0° |
C04 | C02 | N01 | H24 | 0.9° | 180.0° |
N01 | C02 | C04 | H6 | 85.8° | 60.0° |
C02 | N01 | H23 | H24 | 180.0° | 180.0° |
H1 | C13 | C12 | H15 | 0.4° | 0.0° |
H2 | C21 | C22 | H3 | 0.1° | 0.1° |
H3 | C22 | C23 | H17 | 0.0° | 0.0° |
H4 | C24 | C23 | H17 | 0.0° | 0.0° |
H4 | C24 | C25 | H18 | 0.1° | 0.0° |
H6 | C04 | C05 | H7 | 36.6° | 62.4° |
H6 | C04 | C05 | H8 | 81.9° | 57.6° |
H6 | C04 | C30 | H21 | 81.8° | 57.7° |
H6 | C04 | C30 | H22 | 36.6° | 62.4° |
H7 | C05 | C06 | H9 | 47.3° | 59.2° |
H7 | C05 | C06 | H10 | 167.1° | 60.9° |
H8 | C05 | C06 | H9 | 71.1° | 179.3° |
H8 | C05 | C06 | H10 | 48.7° | 59.2° |
H11 | C08 | C09 | H13 | 172.7° | 55.0° |
H11 | C08 | C09 | H14 | 51.7° | 65.0° |
H12 | C08 | C09 | H13 | 69.3° | 65.0° |
H12 | C08 | C09 | H14 | 169.6° | 175.0° |
H19 | C29 | C30 | H21 | 48.7° | 59.4° |
H19 | C29 | C30 | H22 | 167.0° | 60.8° |
H20 | C29 | C30 | H21 | 71.2° | 179.3° |
H20 | C29 | C30 | H22 | 47.2° | 59.1° |