6EB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C03 | N02 | sing | 1.36Å | 1.39Å | Aromatic |
C03 | N04 | doub | 1.30Å | 1.35Å | Aromatic |
C01 | N02 | sing | 1.47Å | 1.46Å | |
N02 | C06 | sing | 1.36Å | 1.37Å | Aromatic |
N04 | C05 | sing | 1.35Å | 1.40Å | Aromatic |
C06 | C05 | doub | 1.36Å | 1.38Å | Aromatic |
C05 | C07 | sing | 1.48Å | 1.43Å | |
N25 | C07 | sing | 1.32Å | 1.35Å | Aromatic |
N25 | C24 | doub | 1.32Å | 1.38Å | Aromatic |
C07 | C08 | doub | 1.41Å | 1.43Å | Aromatic |
C24 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
C08 | N09 | sing | 1.34Å | 1.38Å | Aromatic |
C08 | C22 | sing | 1.42Å | 1.41Å | Aromatic |
N09 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
F18 | C15 | sing | 1.40Å | 1.33Å | |
C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C12 | O11 | sing | 1.43Å | 1.42Å | |
C22 | C20 | sing | 1.41Å | 1.46Å | Aromatic |
C14 | C13 | sing | 1.53Å | 1.27Å | |
C14 | C15 | sing | 1.53Å | 1.48Å | |
C10 | O11 | sing | 1.35Å | 1.36Å | |
C10 | N19 | sing | 1.33Å | 1.39Å | Aromatic |
C15 | F17 | sing | 1.40Å | 1.33Å | |
C15 | F16 | sing | 1.40Å | 1.32Å | |
C20 | N19 | doub | 1.32Å | 1.36Å | Aromatic |
C20 | O21 | sing | 1.35Å | 1.21Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C24 | H2 | sing | 1.08Å | 1.08Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.08Å | 1.08Å | |
C06 | H7 | sing | 1.08Å | 1.08Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C14 | H10 | sing | 1.09Å | 1.10Å | |
C23 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
O21 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N02 | C03 | N04 | 110.5° | 108.9° |
C03 | N02 | C01 | 127.3° | 126.3° |
C03 | N02 | C06 | 106.3° | 107.4° |
N02 | C03 | H6 | 124.8° | 125.5° |
C03 | N04 | C05 | 106.2° | 109.2° |
N04 | C03 | H6 | 124.7° | 125.5° |
C01 | N02 | C06 | 126.4° | 126.3° |
N02 | C01 | H3 | 109.5° | 109.5° |
N02 | C01 | H4 | 109.4° | 109.4° |
N02 | C01 | H5 | 109.5° | 109.5° |
N02 | C06 | C05 | 108.2° | 106.7° |
N02 | C06 | H7 | 125.9° | 126.7° |
N04 | C05 | C06 | 108.3° | 107.7° |
N04 | C05 | C07 | 120.7° | 126.1° |
C06 | C05 | C07 | 129.3° | 126.1° |
C05 | C06 | H7 | 125.9° | 126.6° |
C05 | C07 | N25 | 114.4° | 120.2° |
C05 | C07 | C08 | 123.8° | 120.2° |
C07 | N25 | C24 | 118.1° | 122.7° |
N25 | C07 | C08 | 121.0° | 119.6° |
N25 | C24 | C23 | 124.7° | 121.9° |
N25 | C24 | H2 | 117.6° | 119.1° |
C07 | C08 | N09 | 119.4° | 122.8° |
C07 | C08 | C22 | 118.2° | 118.4° |
C24 | C23 | C22 | 117.4° | 118.8° |
C23 | C24 | H2 | 117.7° | 119.0° |
C24 | C23 | H12 | 121.3° | 120.6° |
N09 | C08 | C22 | 122.4° | 118.8° |
C08 | N09 | C10 | 115.7° | 120.3° |
C08 | C22 | C23 | 120.5° | 118.6° |
C08 | C22 | C20 | 119.5° | 118.5° |
N09 | C10 | O11 | 121.3° | 118.6° |
N09 | C10 | N19 | 125.4° | 122.8° |
F18 | C15 | C14 | 112.4° | 109.4° |
F18 | C15 | F17 | 105.7° | 109.5° |
F18 | C15 | F16 | 105.9° | 109.5° |
C23 | C22 | C20 | 120.0° | 122.9° |
C22 | C23 | H12 | 121.3° | 120.6° |
C13 | C12 | O11 | 113.6° | 109.5° |
C12 | C13 | C14 | 121.5° | 109.5° |
C12 | C13 | H1 | 106.4° | 109.5° |
C13 | C12 | H8 | 108.4° | 109.4° |
C13 | C12 | H9 | 108.5° | 109.5° |
C12 | C13 | H13 | 106.3° | 109.4° |
C12 | O11 | C10 | 114.7° | 117.0° |
O11 | C12 | H8 | 108.4° | 109.5° |
O11 | C12 | H9 | 108.4° | 109.5° |
C22 | C20 | N19 | 116.5° | 118.1° |
C22 | C20 | O21 | 123.5° | 120.9° |
C13 | C14 | C15 | 125.2° | 109.5° |
C14 | C13 | H1 | 106.4° | 109.5° |
C13 | C14 | H10 | 105.4° | 109.5° |
C14 | C13 | H13 | 106.4° | 109.5° |
C13 | C14 | H14 | 105.4° | 109.5° |
C14 | C15 | F17 | 112.1° | 109.5° |
C14 | C15 | F16 | 112.6° | 109.5° |
C15 | C14 | H10 | 105.4° | 109.4° |
C15 | C14 | H14 | 105.4° | 109.5° |
O11 | C10 | N19 | 113.3° | 118.6° |
C10 | N19 | C20 | 120.4° | 121.5° |
F17 | C15 | F16 | 107.5° | 109.5° |
N19 | C20 | O21 | 120.0° | 120.9° |
C20 | O21 | H11 | 109.5° | 114.0° |
H1 | C13 | H13 | 109.5° | 109.5° |
H3 | C01 | H4 | 109.4° | 109.5° |
H3 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.4° |
H8 | C12 | H9 | 109.5° | 109.5° |
H10 | C14 | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N02 | C03 | N04 | H6 | 180.0° | 179.9° |
C03 | N02 | C01 | C06 | 179.1° | 179.7° |
N02 | C03 | N04 | C05 | 4.4° | 0.0° |
C03 | N02 | C06 | C05 | 3.6° | 0.4° |
C03 | N02 | C01 | H3 | 180.0° | 89.7° |
C03 | N02 | C01 | H4 | 60.0° | 30.4° |
C03 | N02 | C01 | H5 | 60.0° | 150.3° |
C03 | N02 | C06 | H7 | 176.4° | 179.7° |
N04 | C03 | N02 | C01 | 179.8° | 180.0° |
N04 | C03 | N02 | C06 | 0.5° | 0.3° |
C03 | N04 | C05 | C06 | 6.5° | 0.2° |
C03 | N04 | C05 | C07 | 172.9° | 179.9° |
C01 | N02 | C06 | C05 | 175.6° | 179.9° |
N02 | C01 | H3 | H4 | 120.0° | 120.0° |
N02 | C01 | H3 | H5 | 120.0° | 120.0° |
N02 | C01 | H4 | H5 | 120.0° | 120.0° |
C01 | N02 | C03 | H6 | 0.2° | 0.1° |
C01 | N02 | C06 | H7 | 4.3° | 0.0° |
N02 | C06 | C05 | N04 | 6.3° | 0.3° |
N02 | C06 | C05 | H7 | 180.0° | 180.0° |
N02 | C06 | C05 | C07 | 171.2° | 179.9° |
C06 | N02 | C01 | H3 | 0.9° | 90.0° |
C06 | N02 | C01 | H4 | 120.9° | 150.0° |
C06 | N02 | C01 | H5 | 119.1° | 30.0° |
C06 | N02 | C03 | H6 | 179.5° | 179.8° |
N04 | C05 | C06 | C07 | 164.8° | 179.7° |
N04 | C05 | C07 | N25 | 2.1° | 155.5° |
N04 | C05 | C07 | C08 | 172.1° | 25.0° |
C05 | N04 | C03 | H6 | 175.6° | 180.0° |
N04 | C05 | C06 | H7 | 173.7° | 179.7° |
C06 | C05 | C07 | N25 | 161.1° | 24.1° |
C06 | C05 | C07 | C08 | 8.9° | 155.3° |
C05 | C07 | N25 | C08 | 170.3° | 179.4° |
C05 | C07 | N25 | C24 | 173.4° | 179.7° |
C05 | C07 | C08 | N09 | 9.7° | 0.1° |
C05 | C07 | C08 | C22 | 173.4° | 180.0° |
C07 | C05 | C06 | H7 | 8.8° | 0.0° |
C07 | N25 | C24 | C23 | 1.3° | 0.6° |
N25 | C07 | C08 | N09 | 179.0° | 179.5° |
N25 | C07 | C08 | C22 | 4.1° | 0.5° |
C07 | N25 | C24 | H2 | 178.7° | 179.5° |
C24 | N25 | C07 | C08 | 3.2° | 0.8° |
N25 | C24 | C23 | H2 | 180.0° | 179.9° |
N25 | C24 | C23 | C22 | 0.2° | 0.1° |
N25 | C24 | C23 | H12 | 179.8° | 180.0° |
C07 | C08 | N09 | C22 | 176.7° | 179.9° |
C07 | C08 | N09 | C10 | 177.5° | 180.0° |
C07 | C08 | C22 | C23 | 3.0° | 0.0° |
C07 | C08 | C22 | C20 | 179.0° | 179.7° |
C24 | C23 | C22 | C08 | 1.2° | 0.2° |
C24 | C23 | C22 | H12 | 180.0° | 179.9° |
C24 | C23 | C22 | C20 | 179.2° | 179.9° |
N09 | C08 | C22 | C23 | 179.8° | 180.0° |
N09 | C08 | C22 | C20 | 2.2° | 0.2° |
C08 | N09 | C10 | O11 | 179.8° | 180.0° |
C08 | N09 | C10 | N19 | 0.5° | 0.2° |
C22 | C08 | N09 | C10 | 0.8° | 0.0° |
C08 | C22 | C23 | C20 | 178.0° | 179.8° |
C08 | C22 | C20 | N19 | 2.2° | 0.3° |
C08 | C22 | C20 | O21 | 178.2° | 179.8° |
C08 | C22 | C23 | H12 | 178.8° | 179.7° |
N09 | C10 | O11 | C12 | 11.6° | 179.7° |
N09 | C10 | O11 | N19 | 179.7° | 179.8° |
N09 | C10 | N19 | C20 | 0.4° | 0.2° |
F18 | C15 | C14 | C13 | 82.2° | 180.0° |
F18 | C15 | C14 | F17 | 119.0° | 120.0° |
F18 | C15 | C14 | F16 | 119.5° | 120.0° |
F18 | C15 | F17 | F16 | 112.8° | 120.0° |
F18 | C15 | C14 | H10 | 39.9° | 60.0° |
F18 | C15 | C14 | H14 | 155.6° | 60.0° |
C23 | C22 | C20 | N19 | 179.7° | 180.0° |
C23 | C22 | C20 | O21 | 0.2° | 0.0° |
C22 | C23 | C24 | H2 | 179.8° | 180.0° |
C13 | C12 | O11 | H8 | 120.6° | 119.9° |
C13 | C12 | O11 | H9 | 120.6° | 120.0° |
C12 | C13 | C14 | H1 | 121.7° | 120.0° |
C12 | C13 | C14 | H13 | 121.6° | 120.0° |
C12 | C13 | C14 | C15 | 177.8° | 180.0° |
C13 | C12 | O11 | C10 | 154.4° | 180.0° |
C12 | C13 | H1 | H13 | 114.5° | 120.0° |
C13 | C12 | H8 | H9 | 118.2° | 120.0° |
C12 | C13 | C14 | H10 | 55.7° | 60.0° |
C12 | C13 | C14 | H14 | 60.1° | 60.0° |
O11 | C12 | C13 | C14 | 99.5° | 180.0° |
C12 | O11 | C10 | N19 | 168.6° | 0.1° |
O11 | C12 | C13 | H1 | 22.1° | 60.0° |
O11 | C12 | H8 | H9 | 118.1° | 120.0° |
O11 | C12 | C13 | H13 | 138.8° | 60.1° |
C22 | C20 | N19 | C10 | 1.0° | 0.1° |
C22 | C20 | N19 | O21 | 179.6° | 180.0° |
C20 | C22 | C23 | H12 | 0.8° | 0.0° |
C22 | C20 | O21 | H11 | 179.5° | 90.0° |
C13 | C14 | C15 | H10 | 122.1° | 120.0° |
C13 | C14 | C15 | H14 | 122.1° | 120.0° |
C13 | C14 | C15 | F17 | 158.8° | 60.0° |
C13 | C14 | C15 | F16 | 37.3° | 60.0° |
C14 | C13 | H1 | H13 | 114.6° | 120.0° |
C14 | C13 | C12 | H8 | 21.0° | 60.0° |
C14 | C13 | C12 | H9 | 139.8° | 60.0° |
C13 | C14 | H10 | H14 | 112.9° | 120.0° |
C14 | C15 | F17 | F16 | 124.3° | 120.0° |
C15 | C14 | C13 | H1 | 60.5° | 60.0° |
C15 | C14 | H10 | H14 | 112.9° | 120.0° |
C15 | C14 | C13 | H13 | 56.1° | 60.0° |
O11 | C10 | N19 | C20 | 179.9° | 180.0° |
C10 | O11 | C12 | H8 | 33.8° | 60.1° |
C10 | O11 | C12 | H9 | 85.0° | 59.9° |
C10 | N19 | C20 | O21 | 179.4° | 180.0° |
F17 | C15 | C14 | H10 | 79.1° | 60.0° |
F17 | C15 | C14 | H14 | 36.6° | 180.0° |
F16 | C15 | C14 | H10 | 159.4° | 180.0° |
F16 | C15 | C14 | H14 | 84.8° | 60.0° |
N19 | C20 | O21 | H11 | 0.0° | 90.0° |
H1 | C13 | C12 | H8 | 142.7° | 60.0° |
H1 | C13 | C12 | H9 | 98.5° | 180.0° |
H1 | C13 | C14 | H10 | 177.3° | 180.0° |
H1 | C13 | C14 | H14 | 61.6° | 60.0° |
H2 | C24 | C23 | H12 | 0.3° | 0.1° |
H3 | C01 | H4 | H5 | 120.0° | 120.0° |
H8 | C12 | C13 | H13 | 100.6° | 180.0° |
H9 | C12 | C13 | H13 | 18.2° | 60.0° |
H10 | C14 | C13 | H13 | 66.0° | 60.0° |
H13 | C13 | C14 | H14 | 178.3° | 180.0° |