8E9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C10 | doub | 1.22Å | 1.23Å | |
| C10 | C14 | sing | 1.48Å | 1.51Å | |
| C10 | C11 | sing | 1.47Å | 1.49Å | |
| C14 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.41Å | 1.49Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C9 | sing | 1.48Å | 1.49Å | |
| C9 | O9 | doub | 1.22Å | 1.24Å | |
| C9 | C12 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.41Å | 1.48Å | Aromatic |
| C11 | C4 | doub | 1.40Å | 1.51Å | Aromatic |
| C12 | C1 | doub | 1.40Å | 1.48Å | Aromatic |
| C1 | N1 | sing | 1.39Å | 1.34Å | |
| C1 | C2 | sing | 1.40Å | 1.50Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N4 | sing | 1.39Å | 1.36Å | |
| C3 | C2 | doub | 1.37Å | 1.42Å | Aromatic |
| C2 | S2 | sing | 1.76Å | 1.64Å | |
| S2 | OS2 | doub | 1.42Å | 1.47Å | |
| S2 | OS1 | sing | 1.52Å | 1.52Å | |
| S2 | OS3 | doub | 1.42Å | 1.46Å | |
| N4 | C1' | sing | 1.40Å | 1.37Å | |
| C1' | C6' | sing | 1.39Å | 1.40Å | Aromatic |
| C1' | C2' | doub | 1.39Å | 1.40Å | Aromatic |
| C6' | C5' | doub | 1.38Å | 1.42Å | Aromatic |
| C5' | C4' | sing | 1.38Å | 1.38Å | Aromatic |
| C4' | C3' | doub | 1.38Å | 1.37Å | Aromatic |
| C3' | C7' | sing | 1.51Å | 1.48Å | |
| C3' | C2' | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| N1 | H12N | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| OS1 | HS1 | sing | 0.97Å | 0.95Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C7' | H7'1 | sing | 1.09Å | 1.10Å | |
| C7' | H7'2 | sing | 1.09Å | 1.10Å | |
| C7' | H7'3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C10 | C14 | 120.5° | 120.4° |
| O16 | C10 | C11 | 117.9° | 120.5° |
| C14 | C10 | C11 | 121.6° | 119.1° |
| C10 | C14 | C5 | 121.4° | 120.6° |
| C10 | C14 | C13 | 119.3° | 119.7° |
| C10 | C11 | C12 | 118.0° | 119.7° |
| C10 | C11 | C4 | 121.5° | 120.7° |
| C5 | C14 | C13 | 119.3° | 119.7° |
| C14 | C5 | C6 | 118.6° | 119.8° |
| C14 | C5 | H5 | 120.7° | 120.2° |
| C14 | C13 | C8 | 119.6° | 119.8° |
| C14 | C13 | C9 | 119.1° | 119.6° |
| C5 | C6 | C7 | 122.4° | 120.5° |
| C6 | C5 | H5 | 120.7° | 120.1° |
| C5 | C6 | H6 | 118.8° | 119.7° |
| C6 | C7 | C8 | 120.6° | 120.5° |
| C7 | C6 | H6 | 118.8° | 119.8° |
| C6 | C7 | H7 | 119.7° | 119.7° |
| C7 | C8 | C13 | 119.5° | 119.8° |
| C8 | C7 | H7 | 119.7° | 119.7° |
| C7 | C8 | H8 | 120.2° | 120.2° |
| C8 | C13 | C9 | 121.3° | 120.6° |
| C13 | C8 | H8 | 120.3° | 120.1° |
| C13 | C9 | O9 | 120.5° | 120.4° |
| C13 | C9 | C12 | 121.0° | 119.2° |
| O9 | C9 | C12 | 118.5° | 120.4° |
| C9 | C12 | C11 | 120.9° | 119.7° |
| C9 | C12 | C1 | 121.7° | 120.8° |
| C12 | C11 | C4 | 120.5° | 119.6° |
| C11 | C12 | C1 | 117.3° | 119.5° |
| C11 | C4 | C3 | 118.8° | 119.8° |
| C11 | C4 | N4 | 115.4° | 120.1° |
| C12 | C1 | N1 | 121.3° | 120.1° |
| C12 | C1 | C2 | 120.4° | 119.8° |
| N1 | C1 | C2 | 118.2° | 120.1° |
| C1 | N1 | H11N | 109.5° | 120.1° |
| C1 | N1 | H12N | 109.5° | 120.0° |
| C1 | C2 | C3 | 119.0° | 120.7° |
| C1 | C2 | S2 | 118.7° | 119.6° |
| C3 | C4 | N4 | 125.8° | 120.2° |
| C4 | C3 | C2 | 124.0° | 120.6° |
| C4 | C3 | H3 | 118.0° | 119.7° |
| C4 | N4 | C1' | 124.4° | 120.0° |
| C4 | N4 | H4 | 117.8° | 120.0° |
| C3 | C2 | S2 | 122.2° | 119.7° |
| C2 | C3 | H3 | 118.0° | 119.7° |
| C2 | S2 | OS2 | 112.4° | 106.4° |
| C2 | S2 | OS1 | 106.6° | 107.2° |
| C2 | S2 | OS3 | 109.9° | 106.4° |
| OS2 | S2 | OS1 | 110.5° | 106.4° |
| OS2 | S2 | OS3 | 109.4° | 123.1° |
| OS1 | S2 | OS3 | 107.9° | 106.4° |
| S2 | OS1 | HS1 | 109.5° | 114.0° |
| N4 | C1' | C6' | 117.1° | 120.1° |
| N4 | C1' | C2' | 122.9° | 120.1° |
| C1' | N4 | H4 | 117.8° | 120.0° |
| C6' | C1' | C2' | 119.9° | 119.8° |
| C1' | C6' | C5' | 123.4° | 119.9° |
| C1' | C6' | H6' | 118.3° | 120.0° |
| C1' | C2' | C3' | 115.8° | 119.9° |
| C1' | C2' | H2' | 122.1° | 120.0° |
| C6' | C5' | C4' | 115.4° | 120.1° |
| C5' | C6' | H6' | 118.3° | 120.0° |
| C6' | C5' | H5' | 122.3° | 119.9° |
| C5' | C4' | C3' | 121.9° | 120.1° |
| C4' | C5' | H5' | 122.3° | 120.0° |
| C5' | C4' | H4' | 119.0° | 120.0° |
| C4' | C3' | C7' | 118.2° | 119.9° |
| C4' | C3' | C2' | 123.5° | 120.1° |
| C3' | C4' | H4' | 119.0° | 119.9° |
| C7' | C3' | C2' | 118.3° | 120.0° |
| C3' | C7' | H7'1 | 109.5° | 109.5° |
| C3' | C7' | H7'2 | 109.5° | 109.4° |
| C3' | C7' | H7'3 | 109.5° | 109.5° |
| C3' | C2' | H2' | 122.1° | 120.0° |
| H11N | N1 | H12N | 109.5° | 119.9° |
| H7'1 | C7' | H7'2 | 109.5° | 109.4° |
| H7'1 | C7' | H7'3 | 109.4° | 109.6° |
| H7'2 | C7' | H7'3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C10 | C14 | C11 | 178.8° | 179.8° |
| O16 | C10 | C14 | C5 | 1.3° | 13.8° |
| O16 | C10 | C14 | C13 | 179.3° | 166.3° |
| O16 | C10 | C11 | C12 | 179.9° | 166.1° |
| O16 | C10 | C11 | C4 | 0.1° | 13.7° |
| C10 | C14 | C5 | C13 | 178.0° | 179.9° |
| C10 | C14 | C5 | C6 | 178.6° | 180.0° |
| C10 | C14 | C13 | C8 | 178.5° | 179.9° |
| C10 | C14 | C13 | C9 | 1.0° | 0.0° |
| C14 | C10 | C11 | C12 | 1.3° | 14.1° |
| C14 | C10 | C11 | C4 | 179.0° | 166.1° |
| C10 | C14 | C5 | H5 | 1.4° | 0.1° |
| C11 | C10 | C14 | C5 | 179.9° | 166.0° |
| C11 | C10 | C14 | C13 | 1.8° | 13.9° |
| C10 | C11 | C12 | C9 | 0.1° | 0.5° |
| C10 | C11 | C12 | C4 | 179.7° | 179.8° |
| C10 | C11 | C12 | C1 | 179.7° | 179.8° |
| C10 | C11 | C4 | C3 | 179.9° | 180.0° |
| C10 | C11 | C4 | N4 | 0.1° | 0.0° |
| C14 | C5 | C6 | H5 | 180.0° | 179.9° |
| C14 | C5 | C6 | C7 | 0.8° | 0.0° |
| C5 | C14 | C13 | C8 | 0.4° | 0.1° |
| C5 | C14 | C13 | C9 | 179.1° | 179.9° |
| C14 | C5 | C6 | H6 | 179.2° | 180.0° |
| C13 | C14 | C5 | C6 | 0.5° | 0.1° |
| C14 | C13 | C8 | C7 | 0.5° | 0.1° |
| C14 | C13 | C8 | C9 | 179.5° | 180.0° |
| C14 | C13 | C9 | O9 | 179.0° | 166.4° |
| C14 | C13 | C9 | C12 | 0.4° | 13.6° |
| C13 | C14 | C5 | H5 | 179.4° | 180.0° |
| C14 | C13 | C8 | H8 | 179.5° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.0° |
| C5 | C6 | C7 | H7 | 179.1° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C13 | 0.8° | 0.0° |
| C7 | C6 | C5 | H5 | 179.2° | 179.9° |
| C6 | C7 | C8 | H8 | 179.2° | 180.0° |
| C7 | C8 | C13 | H8 | 180.0° | 180.0° |
| C7 | C8 | C13 | C9 | 179.0° | 179.9° |
| C8 | C7 | C6 | H6 | 179.1° | 180.0° |
| C8 | C13 | C9 | O9 | 1.5° | 13.6° |
| C8 | C13 | C9 | C12 | 179.8° | 166.4° |
| C13 | C8 | C7 | H7 | 179.2° | 180.0° |
| C13 | C9 | O9 | C12 | 178.7° | 180.0° |
| C13 | C9 | C12 | C11 | 0.9° | 13.4° |
| C13 | C9 | C12 | C1 | 178.8° | 166.3° |
| C9 | C13 | C8 | H8 | 1.1° | 0.1° |
| O9 | C9 | C12 | C11 | 179.6° | 166.6° |
| O9 | C9 | C12 | C1 | 0.1° | 13.6° |
| C9 | C12 | C11 | C1 | 179.7° | 179.7° |
| C9 | C12 | C11 | C4 | 179.7° | 179.7° |
| C9 | C12 | C1 | N1 | 2.7° | 0.0° |
| C9 | C12 | C1 | C2 | 178.5° | 180.0° |
| C11 | C12 | C1 | N1 | 177.5° | 179.7° |
| C11 | C12 | C1 | C2 | 1.8° | 0.2° |
| C12 | C11 | C4 | C3 | 0.4° | 0.3° |
| C12 | C11 | C4 | N4 | 179.7° | 179.7° |
| C4 | C11 | C12 | C1 | 0.6° | 0.0° |
| C11 | C4 | C3 | N4 | 180.0° | 180.0° |
| C11 | C4 | C3 | C2 | 1.3° | 0.8° |
| C11 | C4 | N4 | C1' | 175.2° | 78.1° |
| C11 | C4 | C3 | H3 | 178.6° | 180.0° |
| C11 | C4 | N4 | H4 | 4.8° | 102.0° |
| C12 | C1 | N1 | C2 | 175.9° | 180.0° |
| C12 | C1 | C2 | C3 | 2.7° | 0.8° |
| C12 | C1 | C2 | S2 | 179.3° | 180.0° |
| C12 | C1 | N1 | H11N | 180.0° | 156.4° |
| C12 | C1 | N1 | H12N | 60.0° | 23.7° |
| N1 | C1 | C2 | C3 | 178.6° | 179.2° |
| N1 | C1 | C2 | S2 | 4.8° | 0.1° |
| C1 | N1 | H11N | H12N | 120.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.5° | 1.0° |
| C1 | C2 | C3 | S2 | 176.4° | 179.3° |
| C1 | C2 | S2 | OS2 | 65.7° | 96.5° |
| C1 | C2 | S2 | OS1 | 173.0° | 150.0° |
| C1 | C2 | S2 | OS3 | 56.3° | 36.5° |
| C2 | C1 | N1 | H11N | 4.1° | 23.6° |
| C2 | C1 | N1 | H12N | 115.9° | 156.4° |
| C1 | C2 | C3 | H3 | 177.5° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 179.2° |
| C4 | C3 | C2 | S2 | 178.9° | 179.7° |
| C3 | C4 | N4 | C1' | 4.9° | 101.9° |
| C3 | C4 | N4 | H4 | 175.1° | 78.0° |
| N4 | C4 | C3 | C2 | 178.7° | 179.2° |
| C4 | N4 | C1' | H4 | 180.0° | 180.0° |
| C4 | N4 | C1' | C6' | 140.7° | 6.2° |
| C4 | N4 | C1' | C2' | 40.6° | 173.5° |
| N4 | C4 | C3 | H3 | 1.3° | 0.0° |
| C3 | C2 | S2 | OS2 | 117.8° | 82.8° |
| C3 | C2 | S2 | OS1 | 3.5° | 30.7° |
| C3 | C2 | S2 | OS3 | 120.1° | 144.3° |
| C2 | S2 | OS2 | OS1 | 119.0° | 114.1° |
| C2 | S2 | OS2 | OS3 | 122.3° | 123.0° |
| C2 | S2 | OS1 | OS3 | 118.0° | 113.6° |
| S2 | C2 | C3 | H3 | 1.0° | 0.5° |
| C2 | S2 | OS1 | HS1 | 118.0° | 180.0° |
| OS2 | S2 | OS1 | OS3 | 119.6° | 132.9° |
| OS2 | S2 | OS1 | HS1 | 119.5° | 66.4° |
| OS3 | S2 | OS1 | HS1 | 0.0° | 66.4° |
| N4 | C1' | C6' | C2' | 178.8° | 179.7° |
| N4 | C1' | C6' | C5' | 179.1° | 180.0° |
| N4 | C1' | C2' | C3' | 179.0° | 179.7° |
| N4 | C1' | C6' | H6' | 0.9° | 0.0° |
| N4 | C1' | C2' | H2' | 1.0° | 0.0° |
| C1' | C6' | C5' | H6' | 180.0° | 180.0° |
| C1' | C6' | C5' | C4' | 1.4° | 0.0° |
| C6' | C1' | C2' | C3' | 2.3° | 0.6° |
| C6' | C1' | N4 | H4 | 39.3° | 173.8° |
| C6' | C1' | C2' | H2' | 177.6° | 179.7° |
| C1' | C6' | C5' | H5' | 178.6° | 180.0° |
| C2' | C1' | C6' | C5' | 0.4° | 0.3° |
| C1' | C2' | C3' | C4' | 2.7° | 0.6° |
| C1' | C2' | C3' | C7' | 178.3° | 179.7° |
| C1' | C2' | C3' | H2' | 180.0° | 179.7° |
| C2' | C1' | N4 | H4 | 139.4° | 6.5° |
| C2' | C1' | C6' | H6' | 179.7° | 179.7° |
| C6' | C5' | C4' | H5' | 180.0° | 180.0° |
| C6' | C5' | C4' | C3' | 1.1° | 0.0° |
| C6' | C5' | C4' | H4' | 178.9° | 180.0° |
| C5' | C4' | C3' | H4' | 180.0° | 180.0° |
| C5' | C4' | C3' | C7' | 180.0° | 180.0° |
| C5' | C4' | C3' | C2' | 1.0° | 0.3° |
| C4' | C5' | C6' | H6' | 178.6° | 180.0° |
| C4' | C3' | C7' | C2' | 179.0° | 179.6° |
| C4' | C3' | C2' | H2' | 177.2° | 179.7° |
| C3' | C4' | C5' | H5' | 179.0° | 180.0° |
| C4' | C3' | C7' | H7'1 | 89.5° | 90.1° |
| C4' | C3' | C7' | H7'2 | 150.5° | 150.0° |
| C4' | C3' | C7' | H7'3 | 30.5° | 30.0° |
| C7' | C3' | C2' | H2' | 1.7° | 0.1° |
| C7' | C3' | C4' | H4' | 0.0° | 0.0° |
| C3' | C7' | H7'1 | H7'2 | 120.0° | 119.9° |
| C3' | C7' | H7'1 | H7'3 | 120.0° | 120.0° |
| C3' | C7' | H7'2 | H7'3 | 120.0° | 120.0° |
| C2' | C3' | C4' | H4' | 179.0° | 179.7° |
| C2' | C3' | C7' | H7'1 | 89.5° | 89.6° |
| C2' | C3' | C7' | H7'2 | 30.5° | 30.3° |
| C2' | C3' | C7' | H7'3 | 150.5° | 150.3° |
| H5 | C5 | C6 | H6 | 0.8° | 0.1° |
| H6 | C6 | C7 | H7 | 0.9° | 0.1° |
| H7 | C7 | C8 | H8 | 0.8° | 0.0° |
| H6' | C6' | C5' | H5' | 1.4° | 0.0° |
| H5' | C5' | C4' | H4' | 1.1° | 0.0° |
| H7'1 | C7' | H7'2 | H7'3 | 120.0° | 120.1° |
