6SC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | N16 | doub | 1.32Å | 1.35Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
N16 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
C14 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
C13 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
C13 | C12 | sing | 1.51Å | 1.48Å | |
N10 | C12 | sing | 1.47Å | 1.44Å | |
N10 | C09 | sing | 1.38Å | 1.36Å | |
N04 | C05 | doub | 1.31Å | 1.31Å | Aromatic |
N04 | N03 | sing | 1.40Å | 1.35Å | Aromatic |
C05 | C01 | sing | 1.39Å | 1.45Å | Aromatic |
N03 | C09 | sing | 1.37Å | 1.38Å | Aromatic |
N03 | C02 | sing | 1.37Å | 1.42Å | Aromatic |
C09 | C08 | doub | 1.37Å | 1.40Å | Aromatic |
C01 | C02 | doub | 1.39Å | 1.42Å | Aromatic |
C01 | BR24 | sing | 1.89Å | 1.82Å | |
C08 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
C02 | N06 | sing | 1.34Å | 1.39Å | Aromatic |
C07 | N06 | doub | 1.32Å | 1.35Å | Aromatic |
C07 | C11 | sing | 1.48Å | 1.49Å | Aromatic |
C11 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
C05 | H05 | sing | 1.08Å | 1.08Å | |
C08 | H08 | sing | 1.08Å | 1.08Å | |
N10 | HN10 | sing | 0.97Å | 1.00Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N16 | C15 | C14 | 123.0° | 120.7° |
C15 | N16 | C17 | 117.0° | 121.8° |
N16 | C15 | H15 | 118.5° | 119.6° |
C15 | C14 | C13 | 119.2° | 119.2° |
C15 | C14 | H14 | 120.4° | 120.4° |
C14 | C15 | H15 | 118.5° | 119.6° |
N16 | C17 | C18 | 123.8° | 120.7° |
N16 | C17 | H17 | 118.1° | 119.7° |
C14 | C13 | C18 | 118.9° | 118.5° |
C14 | C13 | C12 | 119.9° | 120.8° |
C13 | C14 | H14 | 120.4° | 120.4° |
C17 | C18 | C13 | 118.1° | 119.2° |
C18 | C17 | H17 | 118.1° | 119.6° |
C17 | C18 | H18 | 120.9° | 120.4° |
C18 | C13 | C12 | 121.2° | 120.7° |
C13 | C18 | H18 | 121.0° | 120.5° |
C13 | C12 | N10 | 112.9° | 109.5° |
C13 | C12 | H121 | 108.4° | 109.5° |
C13 | C12 | H122 | 107.6° | 109.5° |
C12 | N10 | C09 | 117.9° | 120.0° |
C12 | N10 | HN10 | 106.8° | 120.0° |
N10 | C12 | H121 | 108.3° | 109.5° |
N10 | C12 | H122 | 107.6° | 109.4° |
N10 | C09 | N03 | 118.4° | 120.4° |
N10 | C09 | C08 | 124.0° | 120.5° |
C09 | N10 | HN10 | 106.8° | 120.0° |
C05 | N04 | N03 | 106.6° | 108.9° |
N04 | C05 | C01 | 111.8° | 109.0° |
N04 | C05 | H05 | 124.1° | 125.5° |
N04 | N03 | C09 | 126.6° | 132.5° |
N04 | N03 | C02 | 112.8° | 107.6° |
C05 | C01 | C02 | 104.8° | 107.6° |
C05 | C01 | BR24 | 126.2° | 126.2° |
C01 | C05 | H05 | 124.1° | 125.5° |
C09 | N03 | C02 | 120.5° | 119.9° |
N03 | C09 | C08 | 117.5° | 119.1° |
N03 | C02 | C01 | 103.8° | 106.9° |
N03 | C02 | N06 | 122.5° | 120.7° |
C09 | C08 | C07 | 119.6° | 119.3° |
C09 | C08 | H08 | 120.2° | 120.4° |
C02 | C01 | BR24 | 128.9° | 126.2° |
C01 | C02 | N06 | 133.6° | 132.4° |
C08 | C07 | N06 | 123.8° | 120.1° |
C08 | C07 | C11 | 116.9° | 119.9° |
C07 | C08 | H08 | 120.2° | 120.4° |
C02 | N06 | C07 | 115.9° | 120.9° |
N06 | C07 | C11 | 119.3° | 119.9° |
C07 | C11 | C19 | 120.0° | 120.1° |
C07 | C11 | C23 | 120.1° | 120.1° |
C19 | C11 | C23 | 119.8° | 119.7° |
C11 | C19 | C20 | 120.1° | 119.9° |
C11 | C19 | H19 | 119.9° | 120.1° |
C11 | C23 | C22 | 119.7° | 119.9° |
C11 | C23 | H23 | 120.2° | 120.1° |
C19 | C20 | C21 | 120.5° | 120.1° |
C20 | C19 | H19 | 119.9° | 120.0° |
C19 | C20 | H20 | 119.7° | 119.9° |
C23 | C22 | C21 | 119.6° | 120.2° |
C23 | C22 | H22 | 120.2° | 119.9° |
C22 | C23 | H23 | 120.2° | 120.1° |
C20 | C21 | C22 | 120.2° | 120.2° |
C21 | C20 | H20 | 119.8° | 119.9° |
C20 | C21 | H21 | 119.9° | 119.9° |
C22 | C21 | H21 | 119.9° | 119.9° |
C21 | C22 | H22 | 120.2° | 119.9° |
H121 | C12 | H122 | 112.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N16 | C15 | C14 | H15 | 180.0° | 179.9° |
N16 | C15 | C14 | C13 | 2.4° | 0.1° |
C15 | N16 | C17 | C18 | 0.4° | 0.1° |
N16 | C15 | C14 | H14 | 177.6° | 180.0° |
C15 | N16 | C17 | H17 | 179.6° | 180.0° |
C14 | C15 | N16 | C17 | 1.5° | 0.1° |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C15 | C14 | C13 | C18 | 1.4° | 0.1° |
C15 | C14 | C13 | C12 | 178.3° | 179.7° |
N16 | C17 | C18 | H17 | 180.0° | 179.9° |
N16 | C17 | C18 | C13 | 1.3° | 0.0° |
C17 | N16 | C15 | H15 | 178.5° | 180.0° |
N16 | C17 | C18 | H18 | 178.7° | 179.7° |
C14 | C13 | C18 | C17 | 0.3° | 0.0° |
C14 | C13 | C18 | C12 | 179.7° | 179.8° |
C14 | C13 | C12 | N10 | 54.2° | 89.7° |
C14 | C13 | C12 | H121 | 174.2° | 150.2° |
C14 | C13 | C12 | H122 | 64.3° | 30.2° |
C13 | C14 | C15 | H15 | 177.6° | 180.0° |
C14 | C13 | C18 | H18 | 179.7° | 179.7° |
C17 | C18 | C13 | H18 | 180.0° | 179.7° |
C17 | C18 | C13 | C12 | 180.0° | 179.7° |
C18 | C13 | C12 | N10 | 126.1° | 90.1° |
C18 | C13 | C12 | H121 | 6.1° | 30.0° |
C18 | C13 | C12 | H122 | 115.4° | 150.0° |
C18 | C13 | C14 | H14 | 178.6° | 180.0° |
C13 | C18 | C17 | H17 | 178.7° | 179.9° |
C13 | C12 | N10 | H121 | 120.0° | 120.1° |
C13 | C12 | N10 | H122 | 118.5° | 120.0° |
C13 | C12 | N10 | C09 | 103.1° | 180.0° |
C13 | C12 | N10 | HN10 | 136.9° | 0.1° |
C13 | C12 | H121 | H122 | 118.6° | 120.0° |
C12 | C13 | C14 | H14 | 1.7° | 0.2° |
C12 | C13 | C18 | H18 | 0.0° | 0.1° |
C12 | N10 | C09 | HN10 | 120.0° | 179.9° |
C12 | N10 | C09 | N03 | 169.3° | 180.0° |
C12 | N10 | C09 | C08 | 14.2° | 0.1° |
N10 | C12 | H121 | H122 | 118.6° | 119.9° |
N10 | C09 | N03 | N04 | 3.0° | 0.2° |
N10 | C09 | N03 | C08 | 176.8° | 179.9° |
N10 | C09 | N03 | C02 | 178.2° | 180.0° |
N10 | C09 | C08 | C07 | 180.0° | 180.0° |
N10 | C09 | C08 | H08 | 0.0° | 0.1° |
C09 | N10 | C12 | H121 | 16.9° | 59.9° |
C09 | N10 | C12 | H122 | 138.3° | 60.0° |
N04 | C05 | C01 | H05 | 180.0° | 179.6° |
C05 | N04 | N03 | C09 | 171.7° | 179.8° |
C05 | N04 | N03 | C02 | 3.8° | 0.3° |
N04 | C05 | C01 | C02 | 2.6° | 0.5° |
N04 | C05 | C01 | BR24 | 176.0° | 179.8° |
N03 | N04 | C05 | C01 | 3.9° | 0.5° |
N04 | N03 | C09 | C02 | 175.2° | 179.9° |
N04 | N03 | C09 | C08 | 179.8° | 179.9° |
N04 | N03 | C02 | C01 | 2.2° | 0.0° |
N04 | N03 | C02 | N06 | 179.7° | 180.0° |
N03 | N04 | C05 | H05 | 176.1° | 179.9° |
C05 | C01 | C02 | N03 | 0.2° | 0.3° |
C05 | C01 | C02 | BR24 | 178.5° | 179.7° |
C05 | C01 | C02 | N06 | 177.6° | 179.8° |
C09 | N03 | C02 | C01 | 173.7° | 179.9° |
N03 | C09 | C08 | C07 | 3.5° | 0.0° |
C09 | N03 | C02 | N06 | 4.5° | 0.0° |
N03 | C09 | C08 | H08 | 176.5° | 180.0° |
N03 | C09 | N10 | HN10 | 49.3° | 0.1° |
C02 | N03 | C09 | C08 | 5.0° | 0.0° |
N03 | C02 | C01 | N06 | 177.8° | 179.9° |
N03 | C02 | C01 | BR24 | 178.3° | 180.0° |
N03 | C02 | N06 | C07 | 2.0° | 0.1° |
C09 | C08 | C07 | H08 | 180.0° | 179.9° |
C09 | C08 | C07 | N06 | 1.2° | 0.1° |
C09 | C08 | C07 | C11 | 178.8° | 180.0° |
C08 | C09 | N10 | HN10 | 134.2° | 180.0° |
C01 | C02 | N06 | C07 | 175.5° | 179.9° |
C02 | C01 | C05 | H05 | 177.4° | 179.9° |
BR24 | C01 | C02 | N06 | 3.9° | 0.1° |
BR24 | C01 | C05 | H05 | 4.0° | 0.2° |
C08 | C07 | N06 | C02 | 0.4° | 0.1° |
C08 | C07 | N06 | C11 | 177.6° | 179.9° |
C08 | C07 | C11 | C19 | 157.3° | 180.0° |
C08 | C07 | C11 | C23 | 20.8° | 0.3° |
C02 | N06 | C07 | C11 | 178.0° | 180.0° |
N06 | C07 | C11 | C19 | 20.4° | 0.0° |
N06 | C07 | C11 | C23 | 161.4° | 179.7° |
N06 | C07 | C08 | H08 | 178.8° | 180.0° |
C07 | C11 | C19 | C23 | 178.2° | 179.7° |
C07 | C11 | C19 | C20 | 179.0° | 180.0° |
C07 | C11 | C23 | C22 | 179.7° | 179.8° |
C11 | C07 | C08 | H08 | 1.2° | 0.1° |
C07 | C11 | C19 | H19 | 1.0° | 0.0° |
C07 | C11 | C23 | H23 | 0.3° | 0.0° |
C11 | C19 | C20 | H19 | 180.0° | 180.0° |
C19 | C11 | C23 | C22 | 1.6° | 0.5° |
C11 | C19 | C20 | C21 | 3.1° | 0.0° |
C11 | C19 | C20 | H20 | 176.9° | 179.9° |
C19 | C11 | C23 | H23 | 178.4° | 179.7° |
C23 | C11 | C19 | C20 | 2.9° | 0.2° |
C11 | C23 | C22 | H23 | 180.0° | 179.8° |
C11 | C23 | C22 | C21 | 0.6° | 0.5° |
C23 | C11 | C19 | H19 | 177.1° | 179.7° |
C11 | C23 | C22 | H22 | 179.5° | 179.7° |
C19 | C20 | C21 | H20 | 180.0° | 179.9° |
C19 | C20 | C21 | C22 | 2.1° | 0.0° |
C19 | C20 | C21 | H21 | 177.9° | 180.0° |
C23 | C22 | C21 | C20 | 0.8° | 0.2° |
C23 | C22 | C21 | H22 | 180.0° | 179.8° |
C23 | C22 | C21 | H21 | 179.1° | 179.8° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C21 | C20 | C19 | H19 | 176.9° | 180.0° |
C20 | C21 | C22 | H22 | 179.2° | 180.0° |
C22 | C21 | C20 | H20 | 177.9° | 179.9° |
C21 | C22 | C23 | H23 | 179.4° | 179.7° |
HN10 | N10 | C12 | H121 | 103.1° | 120.0° |
HN10 | N10 | C12 | H122 | 18.3° | 120.1° |
H14 | C14 | C15 | H15 | 2.4° | 0.0° |
H17 | C17 | C18 | H18 | 1.3° | 0.4° |
H19 | C19 | C20 | H20 | 3.1° | 0.1° |
H20 | C20 | C21 | H21 | 2.1° | 0.1° |
H21 | C21 | C22 | H22 | 0.8° | 0.0° |
H22 | C22 | C23 | H23 | 0.5° | 0.1° |