O6Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N25 | N27 | sing | 1.40Å | 1.37Å | Aromatic |
N25 | C24 | sing | 1.37Å | 1.36Å | Aromatic |
N27 | C28 | doub | 1.30Å | 1.32Å | Aromatic |
C22 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
C22 | C20 | sing | 1.37Å | 1.38Å | Aromatic |
C24 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
C28 | C30 | sing | 1.46Å | 1.42Å | Aromatic |
C20 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
C30 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
C19 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
C19 | N17 | sing | 1.40Å | 1.43Å | |
N17 | S14 | sing | 1.66Å | 1.61Å | |
O15 | S14 | doub | 1.42Å | 1.43Å | |
S14 | O16 | doub | 1.42Å | 1.43Å | |
S14 | C11 | sing | 1.81Å | 1.80Å | |
C11 | C08 | sing | 1.53Å | 1.52Å | |
C08 | C05 | sing | 1.53Å | 1.54Å | |
C05 | C01 | sing | 1.53Å | 1.51Å | |
C20 | H1 | sing | 1.08Å | 1.08Å | |
C22 | H2 | sing | 1.08Å | 1.08Å | |
C28 | H3 | sing | 1.08Å | 1.08Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
N17 | H13 | sing | 0.97Å | 1.00Å | |
N25 | H14 | sing | 0.97Å | 1.00Å | |
C31 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N27 | N25 | C24 | 111.6° | 109.0° |
N25 | N27 | C28 | 106.1° | 110.1° |
N27 | N25 | H14 | 124.2° | 125.5° |
N25 | C24 | C22 | 132.2° | 133.6° |
N25 | C24 | C30 | 106.5° | 106.7° |
C24 | N25 | H14 | 124.2° | 125.5° |
N27 | C28 | C30 | 111.1° | 107.8° |
N27 | C28 | H3 | 124.5° | 126.1° |
C24 | C22 | C20 | 119.0° | 120.1° |
C22 | C24 | C30 | 121.2° | 119.7° |
C24 | C22 | H2 | 120.5° | 120.0° |
C22 | C20 | C19 | 120.7° | 120.7° |
C22 | C20 | H1 | 119.6° | 119.7° |
C20 | C22 | H2 | 120.5° | 119.9° |
C24 | C30 | C28 | 104.7° | 106.4° |
C24 | C30 | C31 | 119.1° | 119.7° |
C28 | C30 | C31 | 136.2° | 134.0° |
C30 | C28 | H3 | 124.4° | 126.1° |
C20 | C19 | C31 | 120.1° | 120.3° |
C20 | C19 | N17 | 118.7° | 119.8° |
C19 | C20 | H1 | 119.6° | 119.6° |
C30 | C31 | C19 | 119.7° | 119.5° |
C30 | C31 | H15 | 120.1° | 120.3° |
C31 | C19 | N17 | 121.0° | 119.9° |
C19 | C31 | H15 | 120.1° | 120.2° |
C19 | N17 | S14 | 127.0° | 120.0° |
C19 | N17 | H13 | 104.9° | 120.0° |
N17 | S14 | O15 | 107.3° | 104.3° |
N17 | S14 | O16 | 106.6° | 104.3° |
N17 | S14 | C11 | 109.3° | 104.5° |
S14 | N17 | H13 | 104.9° | 120.0° |
O15 | S14 | O16 | 118.7° | 121.0° |
O15 | S14 | C11 | 107.3° | 110.5° |
O16 | S14 | C11 | 107.4° | 110.5° |
S14 | C11 | C08 | 113.8° | 109.5° |
S14 | C11 | H11 | 108.4° | 109.5° |
S14 | C11 | H12 | 108.4° | 109.5° |
C11 | C08 | C05 | 118.9° | 109.5° |
C11 | C08 | H9 | 107.1° | 109.4° |
C11 | C08 | H10 | 107.1° | 109.5° |
C08 | C11 | H11 | 108.4° | 109.5° |
C08 | C11 | H12 | 108.4° | 109.5° |
C08 | C05 | C01 | 114.3° | 109.4° |
C08 | C05 | H7 | 108.2° | 109.5° |
C08 | C05 | H8 | 108.2° | 109.5° |
C05 | C08 | H9 | 107.0° | 109.5° |
C05 | C08 | H10 | 107.1° | 109.6° |
C05 | C01 | H4 | 109.5° | 109.4° |
C05 | C01 | H5 | 109.5° | 109.5° |
C05 | C01 | H6 | 109.5° | 109.5° |
C01 | C05 | H7 | 108.3° | 109.5° |
C01 | C05 | H8 | 108.3° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H6 | 109.5° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.5° |
H7 | C05 | H8 | 109.5° | 109.5° |
H9 | C08 | H10 | 109.5° | 109.5° |
H11 | C11 | H12 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N27 | N25 | C24 | H14 | 180.0° | 180.0° |
N27 | N25 | C24 | C22 | 179.9° | 179.9° |
N27 | N25 | C24 | C30 | 0.5° | 0.0° |
N25 | N27 | C28 | C30 | 0.5° | 0.0° |
N25 | N27 | C28 | H3 | 179.4° | 180.0° |
C24 | N25 | N27 | C28 | 0.7° | 0.0° |
N25 | C24 | C22 | C30 | 179.5° | 179.9° |
N25 | C24 | C22 | C20 | 179.6° | 179.9° |
N25 | C24 | C30 | C28 | 0.2° | 0.0° |
N25 | C24 | C30 | C31 | 179.8° | 179.7° |
N25 | C24 | C22 | H2 | 0.4° | 0.1° |
N27 | C28 | C30 | C24 | 0.2° | 0.0° |
N27 | C28 | C30 | H3 | 180.0° | 180.0° |
N27 | C28 | C30 | C31 | 179.8° | 179.6° |
C28 | N27 | N25 | H14 | 179.3° | 180.0° |
C24 | C22 | C20 | H2 | 180.0° | 180.0° |
C22 | C24 | C30 | C28 | 179.8° | 180.0° |
C24 | C22 | C20 | C19 | 0.7° | 0.0° |
C22 | C24 | C30 | C31 | 0.2° | 0.2° |
C24 | C22 | C20 | H1 | 179.3° | 179.7° |
C22 | C24 | N25 | H14 | 0.1° | 0.1° |
C20 | C22 | C24 | C30 | 0.1° | 0.0° |
C22 | C20 | C19 | H1 | 180.0° | 179.6° |
C22 | C20 | C19 | C31 | 1.3° | 0.3° |
C22 | C20 | C19 | N17 | 178.2° | 179.7° |
C24 | C30 | C28 | C31 | 180.0° | 179.7° |
C24 | C30 | C31 | C19 | 0.7° | 0.5° |
C30 | C24 | C22 | H2 | 179.8° | 180.0° |
C24 | C30 | C28 | H3 | 179.8° | 180.0° |
C30 | C24 | N25 | H14 | 179.5° | 180.0° |
C24 | C30 | C31 | H15 | 179.2° | 180.0° |
C28 | C30 | C31 | C19 | 179.2° | 179.8° |
C28 | C30 | C31 | H15 | 0.8° | 0.4° |
C20 | C19 | C31 | C30 | 1.3° | 0.6° |
C20 | C19 | C31 | N17 | 176.8° | 180.0° |
C20 | C19 | N17 | S14 | 140.1° | 45.0° |
C19 | C20 | C22 | H2 | 179.3° | 180.0° |
C20 | C19 | N17 | H13 | 17.8° | 135.0° |
C20 | C19 | C31 | H15 | 178.7° | 180.0° |
C30 | C31 | C19 | H15 | 180.0° | 179.5° |
C30 | C31 | C19 | N17 | 178.1° | 179.4° |
C31 | C30 | C28 | H3 | 0.2° | 0.4° |
C31 | C19 | N17 | S14 | 43.1° | 135.0° |
C31 | C19 | C20 | H1 | 178.7° | 179.9° |
C31 | C19 | N17 | H13 | 165.4° | 45.0° |
C19 | N17 | S14 | H13 | 122.3° | 180.0° |
C19 | N17 | S14 | O15 | 28.8° | 51.1° |
C19 | N17 | S14 | O16 | 156.9° | 178.9° |
C19 | N17 | S14 | C11 | 87.3° | 65.0° |
N17 | C19 | C20 | H1 | 1.8° | 0.0° |
N17 | C19 | C31 | H15 | 1.9° | 0.0° |
N17 | S14 | O15 | O16 | 120.8° | 116.8° |
N17 | S14 | O15 | C11 | 117.4° | 111.7° |
N17 | S14 | O16 | C11 | 117.1° | 111.8° |
N17 | S14 | C11 | C08 | 67.7° | 180.0° |
N17 | S14 | C11 | H11 | 52.9° | 60.0° |
N17 | S14 | C11 | H12 | 171.6° | 60.0° |
O15 | S14 | O16 | C11 | 121.8° | 131.5° |
O15 | S14 | C11 | C08 | 176.2° | 68.4° |
O15 | S14 | C11 | H11 | 63.1° | 171.6° |
O15 | S14 | C11 | H12 | 55.6° | 51.6° |
O15 | S14 | N17 | H13 | 93.5° | 129.0° |
O16 | S14 | C11 | C08 | 47.5° | 68.4° |
O16 | S14 | C11 | H11 | 168.2° | 51.7° |
O16 | S14 | C11 | H12 | 73.1° | 171.6° |
O16 | S14 | N17 | H13 | 34.6° | 1.1° |
S14 | C11 | C08 | H11 | 120.7° | 120.1° |
S14 | C11 | C08 | H12 | 120.7° | 120.0° |
S14 | C11 | C08 | C05 | 171.2° | 180.0° |
S14 | C11 | C08 | H9 | 67.4° | 60.0° |
S14 | C11 | C08 | H10 | 49.9° | 59.9° |
S14 | C11 | H11 | H12 | 118.0° | 120.0° |
C11 | S14 | N17 | H13 | 150.4° | 115.0° |
C11 | C08 | C05 | H9 | 121.3° | 119.9° |
C11 | C08 | C05 | H10 | 121.4° | 120.0° |
C11 | C08 | C05 | C01 | 162.9° | 180.0° |
C11 | C08 | C05 | H7 | 76.4° | 60.1° |
C11 | C08 | C05 | H8 | 42.2° | 60.0° |
C11 | C08 | H9 | H10 | 115.7° | 119.9° |
C08 | C11 | H11 | H12 | 118.0° | 119.9° |
C08 | C05 | C01 | H7 | 120.7° | 119.9° |
C08 | C05 | C01 | H8 | 120.7° | 120.0° |
C08 | C05 | C01 | H4 | 180.0° | 180.0° |
C08 | C05 | C01 | H5 | 60.0° | 60.0° |
C08 | C05 | C01 | H6 | 60.0° | 60.1° |
C08 | C05 | H7 | H8 | 117.8° | 120.0° |
C05 | C08 | H9 | H10 | 115.7° | 120.1° |
C05 | C08 | C11 | H11 | 50.6° | 60.0° |
C05 | C08 | C11 | H12 | 68.1° | 59.9° |
C05 | C01 | H4 | H5 | 120.0° | 120.0° |
C05 | C01 | H4 | H6 | 120.0° | 120.0° |
C05 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | C05 | H7 | H8 | 117.8° | 120.0° |
C01 | C05 | C08 | H9 | 41.6° | 60.0° |
C01 | C05 | C08 | H10 | 75.7° | 60.0° |
H1 | C20 | C22 | H2 | 0.7° | 0.3° |
H4 | C01 | H5 | H6 | 120.0° | 120.0° |
H4 | C01 | C05 | H7 | 59.3° | 60.0° |
H4 | C01 | C05 | H8 | 59.3° | 60.0° |
H5 | C01 | C05 | H7 | 179.3° | 59.9° |
H5 | C01 | C05 | H8 | 60.7° | 180.0° |
H6 | C01 | C05 | H7 | 60.7° | 180.0° |
H6 | C01 | C05 | H8 | 179.3° | 60.0° |
H7 | C05 | C08 | H9 | 162.3° | NaN° |
H7 | C05 | C08 | H10 | 45.0° | 60.0° |
H8 | C05 | C08 | H9 | 79.1° | 59.9° |
H8 | C05 | C08 | H10 | 163.6° | 180.0° |
H9 | C08 | C11 | H11 | 171.9° | 179.9° |
H9 | C08 | C11 | H12 | 53.2° | 60.0° |
H10 | C08 | C11 | H11 | 70.8° | 60.1° |
H10 | C08 | C11 | H12 | 170.5° | 180.0° |