A1D5U
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C09 | sing | 1.53Å | 1.53Å | |
C10 | N11 | sing | 1.47Å | 1.53Å | |
C09 | C08 | sing | 1.53Å | 1.53Å | |
O04 | C03 | doub | 1.21Å | 1.20Å | |
N11 | C06 | sing | 1.47Å | 1.54Å | |
C08 | C07 | sing | 1.53Å | 1.55Å | |
C06 | C07 | sing | 1.53Å | 1.55Å | |
C06 | C05 | sing | 1.53Å | 1.60Å | |
C03 | C05 | sing | 1.51Å | 1.57Å | |
C03 | O02 | sing | 1.34Å | 1.38Å | |
C01 | O02 | sing | 1.45Å | 1.44Å | |
C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C05 | C12 | sing | 1.51Å | 1.55Å | |
C12 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C15 | H4 | sing | 1.08Å | 1.08Å | |
C17 | H5 | sing | 1.08Å | 1.08Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C01 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.09Å | 1.10Å | |
C08 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
C14 | H17 | sing | 1.08Å | 1.08Å | |
C16 | H18 | sing | 1.08Å | 1.08Å | |
N11 | H19 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C09 | C10 | N11 | 110.0° | 109.5° |
C10 | C09 | C08 | 110.6° | 109.3° |
C09 | C10 | H1 | 109.3° | 109.5° |
C09 | C10 | H2 | 109.3° | 109.5° |
C10 | C09 | H15 | 109.2° | 109.5° |
C10 | C09 | H16 | 109.2° | 109.5° |
C10 | N11 | C06 | 111.6° | 111.2° |
N11 | C10 | H1 | 109.3° | 109.5° |
N11 | C10 | H2 | 109.3° | 109.5° |
C10 | N11 | H19 | 109.0° | 111.0° |
C09 | C08 | C07 | 111.2° | 109.2° |
C09 | C08 | H13 | 109.1° | 109.6° |
C09 | C08 | H14 | 109.0° | 109.6° |
C08 | C09 | H15 | 109.2° | 109.5° |
C08 | C09 | H16 | 109.2° | 109.5° |
O04 | C03 | C05 | 121.5° | 120.0° |
O04 | C03 | O02 | 117.8° | 120.0° |
N11 | C06 | C07 | 106.4° | 109.5° |
N11 | C06 | C05 | 111.0° | 109.5° |
N11 | C06 | H10 | 108.9° | 109.5° |
C06 | N11 | H19 | 108.9° | 110.9° |
C08 | C07 | C06 | 113.2° | 109.3° |
C08 | C07 | H11 | 108.5° | 109.5° |
C08 | C07 | H12 | 108.5° | 109.6° |
C07 | C08 | H13 | 109.0° | 109.5° |
C07 | C08 | H14 | 109.1° | 109.5° |
C07 | C06 | C05 | 113.4° | 109.5° |
C07 | C06 | H10 | 108.8° | 109.4° |
C06 | C07 | H11 | 108.5° | 109.5° |
C06 | C07 | H12 | 108.5° | 109.4° |
C06 | C05 | C03 | 108.6° | 109.5° |
C06 | C05 | C12 | 111.5° | 109.5° |
C06 | C05 | H9 | 108.7° | 109.5° |
C05 | C06 | H10 | 108.2° | 109.5° |
C05 | C03 | O02 | 120.7° | 120.0° |
C03 | C05 | C12 | 109.9° | 109.5° |
C03 | C05 | H9 | 109.0° | 109.5° |
C03 | O02 | C01 | 115.3° | 117.0° |
O02 | C01 | H6 | 109.5° | 109.5° |
O02 | C01 | H7 | 109.5° | 109.5° |
O02 | C01 | H8 | 109.5° | 109.5° |
C14 | C13 | C12 | 121.7° | 120.0° |
C13 | C14 | C15 | 120.6° | 120.0° |
C14 | C13 | H3 | 119.1° | 120.0° |
C13 | C14 | H17 | 119.7° | 120.0° |
C13 | C12 | C05 | 122.1° | 120.0° |
C13 | C12 | C17 | 116.7° | 120.0° |
C12 | C13 | H3 | 119.2° | 120.0° |
C14 | C15 | C16 | 118.8° | 120.0° |
C14 | C15 | H4 | 120.6° | 120.0° |
C15 | C14 | H17 | 119.7° | 120.0° |
C05 | C12 | C17 | 121.2° | 120.0° |
C12 | C05 | H9 | 109.2° | 109.5° |
C12 | C17 | C16 | 121.9° | 120.0° |
C12 | C17 | H5 | 119.0° | 120.0° |
C15 | C16 | C17 | 120.3° | 120.0° |
C16 | C15 | H4 | 120.6° | 120.0° |
C15 | C16 | H18 | 119.8° | 120.1° |
C16 | C17 | H5 | 119.0° | 120.1° |
C17 | C16 | H18 | 119.9° | 119.9° |
H1 | C10 | H2 | 109.5° | 109.4° |
H6 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H8 | 109.5° | 109.4° |
H7 | C01 | H8 | 109.5° | 109.4° |
H11 | C07 | H12 | 109.5° | 109.5° |
H13 | C08 | H14 | 109.5° | 109.5° |
H15 | C09 | H16 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C09 | C10 | N11 | H1 | 120.1° | 120.0° |
C09 | C10 | N11 | H2 | 120.1° | 120.0° |
C10 | C09 | C08 | H15 | 120.2° | 120.0° |
C10 | C09 | C08 | H16 | 120.2° | 119.9° |
C09 | C10 | N11 | C06 | 62.1° | 61.8° |
C10 | C09 | C08 | C07 | 53.4° | 57.7° |
C09 | C10 | H1 | H2 | 119.7° | 120.0° |
C10 | C09 | C08 | H13 | 173.6° | 62.2° |
C10 | C09 | C08 | H14 | 66.9° | 177.6° |
C10 | C09 | H15 | H16 | 119.5° | 120.1° |
C09 | C10 | N11 | H19 | 177.6° | 174.2° |
N11 | C10 | C09 | C08 | 57.0° | 59.2° |
C10 | N11 | C06 | H19 | 120.3° | 124.1° |
C10 | N11 | C06 | C07 | 59.9° | 61.7° |
C10 | N11 | C06 | C05 | 176.2° | 178.2° |
N11 | C10 | H1 | H2 | 119.8° | 120.0° |
C10 | N11 | C06 | H10 | 57.1° | 58.2° |
N11 | C10 | C09 | H15 | 63.1° | 60.7° |
N11 | C10 | C09 | H16 | 177.2° | 179.1° |
C09 | C08 | C07 | H13 | 120.3° | 119.9° |
C09 | C08 | C07 | H14 | 120.3° | 120.0° |
C09 | C08 | C07 | C06 | 54.8° | 57.6° |
C08 | C09 | C10 | H1 | 63.0° | 60.8° |
C08 | C09 | C10 | H2 | 177.1° | 179.2° |
C09 | C08 | C07 | H11 | 65.8° | 177.6° |
C09 | C08 | C07 | H12 | 175.3° | 62.3° |
C09 | C08 | H13 | H14 | 119.2° | 120.2° |
C08 | C09 | H15 | H16 | 119.5° | 120.1° |
O04 | C03 | C05 | C06 | 20.6° | 120.0° |
O04 | C03 | C05 | O02 | 179.8° | 180.0° |
O04 | C03 | O02 | C01 | 3.9° | 0.0° |
O04 | C03 | C05 | C12 | 101.5° | 0.1° |
O04 | C03 | C05 | H9 | 138.8° | 120.0° |
N11 | C06 | C07 | C08 | 56.4° | 59.1° |
N11 | C06 | C07 | C05 | 122.4° | 120.1° |
N11 | C06 | C07 | H10 | 117.2° | 120.0° |
N11 | C06 | C05 | H10 | 119.5° | 120.0° |
N11 | C06 | C05 | C03 | 43.0° | 65.8° |
N11 | C06 | C05 | C12 | 164.2° | 174.3° |
C06 | N11 | C10 | H1 | 58.0° | 58.3° |
C06 | N11 | C10 | H2 | 177.8° | 178.2° |
N11 | C06 | C05 | H9 | 75.4° | 54.2° |
N11 | C06 | C07 | H11 | 64.2° | 179.1° |
N11 | C06 | C07 | H12 | 176.9° | 60.9° |
C08 | C07 | C06 | H11 | 120.6° | 120.0° |
C08 | C07 | C06 | H12 | 120.5° | 120.0° |
C08 | C07 | C06 | C05 | 178.8° | 179.2° |
C08 | C07 | C06 | H10 | 60.8° | 60.9° |
C08 | C07 | H11 | H12 | 118.3° | 120.1° |
C07 | C08 | H13 | H14 | 119.2° | 120.1° |
C07 | C08 | C09 | H15 | 66.8° | 62.3° |
C07 | C08 | C09 | H16 | 173.5° | 177.6° |
C07 | C06 | C05 | H10 | 120.8° | 119.9° |
C07 | C06 | C05 | C03 | 162.8° | 174.2° |
C07 | C06 | C05 | C12 | 76.0° | 54.2° |
C07 | C06 | C05 | H9 | 44.4° | 65.8° |
C06 | C07 | H11 | H12 | 118.3° | 120.0° |
C06 | C07 | C08 | H13 | 175.1° | 62.3° |
C06 | C07 | C08 | H14 | 65.5° | 177.6° |
C07 | C06 | N11 | H19 | 179.7° | 174.2° |
C06 | C05 | C03 | C12 | 122.1° | 120.0° |
C06 | C05 | C03 | H9 | 118.2° | 120.0° |
C06 | C05 | C03 | O02 | 159.2° | 60.0° |
C06 | C05 | C12 | C13 | 40.2° | 125.7° |
C06 | C05 | C12 | H9 | 120.1° | 120.0° |
C06 | C05 | C12 | C17 | 140.1° | 54.3° |
C05 | C06 | C07 | H11 | 58.2° | 60.8° |
C05 | C06 | C07 | H12 | 60.7° | 59.2° |
C05 | C06 | N11 | H19 | 55.9° | 54.1° |
C05 | C03 | O02 | C01 | 176.2° | 180.0° |
C03 | C05 | C12 | C13 | 80.2° | 114.4° |
C03 | C05 | C12 | H9 | 119.5° | 120.0° |
C03 | C05 | C12 | C17 | 99.5° | 65.7° |
C03 | C05 | C06 | H10 | 76.5° | 54.2° |
O02 | C03 | C05 | C12 | 78.6° | 180.0° |
C03 | O02 | C01 | H6 | 180.0° | 60.0° |
C03 | O02 | C01 | H7 | 60.0° | 180.0° |
C03 | O02 | C01 | H8 | 60.0° | 60.0° |
O02 | C03 | C05 | H9 | 41.0° | 60.0° |
O02 | C01 | H6 | H7 | 120.0° | 120.1° |
O02 | C01 | H6 | H8 | 120.0° | 120.0° |
O02 | C01 | H7 | H8 | 120.0° | 120.0° |
C14 | C13 | C12 | H3 | 180.0° | 179.7° |
C13 | C14 | C15 | H17 | 180.0° | 179.9° |
C14 | C13 | C12 | C05 | 179.8° | 180.0° |
C14 | C13 | C12 | C17 | 0.1° | 0.0° |
C13 | C14 | C15 | C16 | 0.0° | 0.1° |
C13 | C14 | C15 | H4 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.1° | 0.0° |
C13 | C12 | C05 | C17 | 179.7° | 180.0° |
C13 | C12 | C17 | C16 | 0.0° | 0.0° |
C13 | C12 | C17 | H5 | 180.0° | 180.0° |
C13 | C12 | C05 | H9 | 160.3° | 5.7° |
C12 | C13 | C14 | H17 | 179.9° | 180.0° |
C14 | C15 | C16 | H4 | 180.0° | 179.9° |
C14 | C15 | C16 | C17 | 0.0° | 0.1° |
C15 | C14 | C13 | H3 | 179.9° | 179.7° |
C14 | C15 | C16 | H18 | 179.9° | 180.0° |
C05 | C12 | C17 | C16 | 179.8° | 180.0° |
C05 | C12 | C13 | H3 | 0.2° | 0.3° |
C05 | C12 | C17 | H5 | 0.3° | 0.0° |
C12 | C05 | C06 | H10 | 44.7° | 65.7° |
C12 | C17 | C16 | C15 | 0.0° | 0.0° |
C12 | C17 | C16 | H5 | 180.0° | 180.0° |
C17 | C12 | C13 | H3 | 179.9° | 179.7° |
C17 | C12 | C05 | H9 | 20.0° | 174.3° |
C12 | C17 | C16 | H18 | 180.0° | 180.0° |
C15 | C16 | C17 | H18 | 180.0° | 179.9° |
C15 | C16 | C17 | H5 | 180.0° | 179.9° |
C16 | C15 | C14 | H17 | 180.0° | 180.0° |
C17 | C16 | C15 | H4 | 180.0° | 180.0° |
H1 | C10 | C09 | H15 | 176.8° | 179.3° |
H1 | C10 | C09 | H16 | 57.2° | 59.1° |
H1 | C10 | N11 | H19 | 62.3° | 65.8° |
H2 | C10 | C09 | H15 | 57.0° | 59.3° |
H2 | C10 | C09 | H16 | 62.7° | 60.9° |
H2 | C10 | N11 | H19 | 57.6° | 54.2° |
H3 | C13 | C14 | H17 | 0.1° | 0.2° |
H4 | C15 | C14 | H17 | 0.0° | 0.1° |
H4 | C15 | C16 | H18 | 0.1° | 0.1° |
H5 | C17 | C16 | H18 | 0.1° | 0.0° |
H6 | C01 | H7 | H8 | 120.0° | 119.9° |
H9 | C05 | C06 | H10 | 165.1° | 174.2° |
H10 | C06 | C07 | H11 | 178.7° | 59.1° |
H10 | C06 | C07 | H12 | 59.8° | 179.2° |
H10 | C06 | N11 | H19 | 63.2° | 65.8° |
H11 | C07 | C08 | H13 | 54.5° | 57.7° |
H11 | C07 | C08 | H14 | 174.0° | 62.4° |
H12 | C07 | C08 | H13 | 64.4° | 177.8° |
H12 | C07 | C08 | H14 | 55.1° | 57.7° |
H13 | C08 | C09 | H15 | 53.4° | 177.8° |
H13 | C08 | C09 | H16 | 66.2° | 57.7° |
H14 | C08 | C09 | H15 | 172.9° | 57.6° |
H14 | C08 | C09 | H16 | 53.3° | 62.5° |