9FN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | N10 | doub | 1.22Å | 1.36Å | |
CL | C06 | sing | 1.74Å | 1.67Å | |
N10 | O11 | sing | 1.22Å | 1.22Å | |
N10 | C08 | sing | 1.48Å | 1.42Å | |
C06 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
C06 | C05 | sing | 1.39Å | 1.34Å | Aromatic |
C08 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.34Å | Aromatic |
C09 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
C04 | C03 | sing | 1.40Å | 1.36Å | Aromatic |
C03 | C02 | sing | 1.48Å | 1.46Å | |
C02 | O01 | doub | 1.22Å | 1.15Å | |
C02 | C13 | sing | 1.48Å | 1.53Å | |
O21 | C19 | doub | 1.21Å | 1.24Å | |
C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C18 | sing | 1.41Å | 1.37Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.35Å | Aromatic |
C19 | C18 | sing | 1.48Å | 1.49Å | |
C19 | O20 | sing | 1.35Å | 1.14Å | |
C18 | C17 | doub | 1.39Å | 1.35Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
C15 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H2 | sing | 1.08Å | 1.08Å | |
C04 | H3 | sing | 1.08Å | 1.08Å | |
C05 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
C14 | H6 | sing | 1.08Å | 1.08Å | |
C16 | H7 | sing | 1.08Å | 1.08Å | |
O20 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | N10 | O11 | 120.8° | 120.0° |
O12 | N10 | C08 | 119.5° | 120.0° |
CL | C06 | C08 | 123.1° | 119.9° |
CL | C06 | C05 | 112.5° | 119.9° |
O11 | N10 | C08 | 119.7° | 120.1° |
N10 | C08 | C06 | 122.9° | 120.0° |
N10 | C08 | C09 | 119.4° | 119.9° |
C08 | C06 | C05 | 124.4° | 120.3° |
C06 | C08 | C09 | 117.7° | 120.2° |
C06 | C05 | C04 | 117.5° | 120.2° |
C06 | C05 | H4 | 121.3° | 119.9° |
C08 | C09 | C03 | 116.5° | 119.8° |
C08 | C09 | H5 | 121.7° | 120.1° |
C05 | C04 | C03 | 119.5° | 119.8° |
C05 | C04 | H3 | 120.2° | 120.0° |
C04 | C05 | H4 | 121.3° | 119.9° |
C09 | C03 | C04 | 124.4° | 119.8° |
C09 | C03 | C02 | 123.2° | 120.1° |
C03 | C09 | H5 | 121.7° | 120.1° |
C04 | C03 | C02 | 112.3° | 120.1° |
C03 | C04 | H3 | 120.3° | 120.1° |
C03 | C02 | O01 | 120.3° | 120.0° |
C03 | C02 | C13 | 116.5° | 120.0° |
O01 | C02 | C13 | 123.2° | 120.0° |
C02 | C13 | C14 | 121.1° | 120.2° |
C02 | C13 | C18 | 118.7° | 120.2° |
O21 | C19 | C18 | 122.2° | 120.0° |
O21 | C19 | O20 | 121.1° | 120.0° |
C14 | C13 | C18 | 120.1° | 119.6° |
C13 | C14 | C15 | 120.5° | 120.0° |
C13 | C14 | H6 | 119.8° | 120.0° |
C13 | C18 | C19 | 119.8° | 120.3° |
C13 | C18 | C17 | 119.5° | 119.5° |
C14 | C15 | C16 | 118.7° | 120.4° |
C14 | C15 | H1 | 120.7° | 119.8° |
C15 | C14 | H6 | 119.7° | 120.0° |
C18 | C19 | O20 | 116.7° | 120.0° |
C19 | C18 | C17 | 120.7° | 120.2° |
C19 | O20 | H8 | 109.5° | 117.0° |
C18 | C17 | C16 | 120.8° | 120.0° |
C18 | C17 | H2 | 119.6° | 120.0° |
C15 | C16 | C17 | 120.4° | 120.4° |
C16 | C15 | H1 | 120.7° | 119.8° |
C15 | C16 | H7 | 119.8° | 119.8° |
C16 | C17 | H2 | 119.6° | 120.0° |
C17 | C16 | H7 | 119.8° | 119.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | N10 | O11 | C08 | 178.9° | 180.0° |
O12 | N10 | C08 | C06 | 12.9° | 0.0° |
O12 | N10 | C08 | C09 | 163.7° | 179.7° |
CL | C06 | C08 | N10 | 3.3° | 0.2° |
CL | C06 | C08 | C05 | 178.2° | 179.8° |
CL | C06 | C08 | C09 | 180.0° | 180.0° |
CL | C06 | C05 | C04 | 179.6° | 179.8° |
CL | C06 | C05 | H4 | 0.4° | 0.3° |
O11 | N10 | C08 | C06 | 168.2° | 180.0° |
O11 | N10 | C08 | C09 | 15.2° | 0.2° |
N10 | C08 | C06 | C09 | 176.6° | 179.8° |
N10 | C08 | C06 | C05 | 178.5° | 180.0° |
N10 | C08 | C09 | C03 | 178.4° | 179.8° |
N10 | C08 | C09 | H5 | 1.6° | 0.3° |
C08 | C06 | C05 | C04 | 2.1° | 0.0° |
C06 | C08 | C09 | C03 | 1.7° | 0.5° |
C08 | C06 | C05 | H4 | 177.9° | 180.0° |
C06 | C08 | C09 | H5 | 178.3° | 180.0° |
C05 | C06 | C08 | C09 | 1.9° | 0.3° |
C06 | C05 | C04 | H4 | 180.0° | 180.0° |
C06 | C05 | C04 | C03 | 2.2° | 0.0° |
C06 | C05 | C04 | H3 | 177.8° | 180.0° |
C08 | C09 | C03 | H5 | 180.0° | 179.5° |
C08 | C09 | C03 | C04 | 2.1° | 0.4° |
C08 | C09 | C03 | C02 | 178.5° | 179.8° |
C05 | C04 | C03 | C09 | 2.4° | 0.2° |
C05 | C04 | C03 | H3 | 180.0° | 180.0° |
C05 | C04 | C03 | C02 | 179.2° | 180.0° |
C09 | C03 | C04 | C02 | 176.8° | 179.8° |
C09 | C03 | C02 | O01 | 140.3° | 6.6° |
C09 | C03 | C02 | C13 | 41.9° | 173.3° |
C09 | C03 | C04 | H3 | 177.6° | 179.8° |
C04 | C03 | C02 | O01 | 42.8° | 173.5° |
C04 | C03 | C02 | C13 | 134.9° | 6.5° |
C03 | C04 | C05 | H4 | 177.8° | 180.0° |
C04 | C03 | C09 | H5 | 178.0° | 180.0° |
C03 | C02 | O01 | C13 | 177.6° | 179.9° |
C03 | C02 | C13 | C14 | 42.9° | 103.9° |
C03 | C02 | C13 | C18 | 135.9° | 76.4° |
C02 | C03 | C04 | H3 | 0.8° | 0.0° |
C02 | C03 | C09 | H5 | 1.5° | 0.2° |
O01 | C02 | C13 | C14 | 134.8° | 76.2° |
O01 | C02 | C13 | C18 | 46.5° | 103.6° |
C02 | C13 | C14 | C18 | 178.7° | 179.8° |
C02 | C13 | C14 | C15 | 178.6° | 179.7° |
C02 | C13 | C18 | C19 | 0.0° | 0.2° |
C02 | C13 | C18 | C17 | 178.4° | 179.8° |
C02 | C13 | C14 | H6 | 1.4° | 0.2° |
O21 | C19 | C18 | C13 | 62.1° | 5.3° |
O21 | C19 | C18 | O20 | 178.0° | 180.0° |
O21 | C19 | C18 | C17 | 116.3° | 174.7° |
O21 | C19 | O20 | H8 | 0.0° | 0.0° |
C13 | C14 | C15 | H6 | 180.0° | 180.0° |
C14 | C13 | C18 | C19 | 178.8° | 180.0° |
C14 | C13 | C18 | C17 | 0.3° | 0.0° |
C13 | C14 | C15 | C16 | 0.4° | 0.0° |
C13 | C14 | C15 | H1 | 179.5° | 180.0° |
C18 | C13 | C14 | C15 | 0.1° | 0.0° |
C13 | C18 | C19 | C17 | 178.4° | 180.0° |
C13 | C18 | C19 | O20 | 119.9° | 174.8° |
C13 | C18 | C17 | C16 | 0.9° | 0.0° |
C13 | C18 | C17 | H2 | 179.1° | 180.0° |
C18 | C13 | C14 | H6 | 179.9° | 180.0° |
C14 | C15 | C16 | H1 | 180.0° | 179.9° |
C14 | C15 | C16 | C17 | 1.0° | 0.1° |
C14 | C15 | C16 | H7 | 179.0° | 180.0° |
C19 | C18 | C17 | C16 | 179.3° | 180.0° |
C19 | C18 | C17 | H2 | 0.7° | 0.0° |
C18 | C19 | O20 | H8 | 178.0° | 180.0° |
O20 | C19 | C18 | C17 | 61.6° | 5.2° |
C18 | C17 | C16 | C15 | 1.2° | 0.0° |
C18 | C17 | C16 | H2 | 180.0° | 180.0° |
C18 | C17 | C16 | H7 | 178.8° | 180.0° |
C15 | C16 | C17 | H7 | 180.0° | 179.9° |
C15 | C16 | C17 | H2 | 178.8° | 180.0° |
C16 | C15 | C14 | H6 | 179.5° | 180.0° |
C17 | C16 | C15 | H1 | 179.0° | 180.0° |
H1 | C15 | C14 | H6 | 0.5° | 0.0° |
H1 | C15 | C16 | H7 | 1.0° | 0.1° |
H2 | C17 | C16 | H7 | 1.2° | 0.0° |
H3 | C04 | C05 | H4 | 2.2° | 0.1° |