A1CBC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL17 | C13 | sing | 1.74Å | 1.78Å | |
| C13 | C12 | doub | 1.38Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.52Å | Aromatic |
| C4' | C2' | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.38Å | 1.53Å | Aromatic |
| C14 | C9 | doub | 1.39Å | 1.31Å | Aromatic |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C2' | O1' | sing | 1.45Å | 1.40Å | |
| O1' | C1 | sing | 1.34Å | 1.40Å | |
| C11 | C10 | doub | 1.38Å | 1.32Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.52Å | Aromatic |
| C9 | C6 | sing | 1.49Å | 1.53Å | |
| N5 | C6 | doub | 1.31Å | 1.33Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.33Å | Aromatic |
| C6 | N7 | sing | 1.34Å | 1.41Å | Aromatic |
| C3 | N4 | sing | 1.47Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O | doub | 1.21Å | 1.18Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| N4 | C8 | sing | 1.34Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C2' | H12 | sing | 1.09Å | 1.10Å | |
| C3' | H17 | sing | 1.09Å | 1.10Å | |
| C3' | H18 | sing | 1.09Å | 1.10Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL17 | C13 | C12 | 120.2° | 120.0° |
| CL17 | C13 | C14 | 119.8° | 119.9° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C13 | C12 | C11 | 120.0° | 120.2° |
| C13 | C12 | H2 | 120.0° | 119.8° |
| C13 | C14 | C9 | 120.1° | 119.8° |
| C13 | C14 | H1 | 119.9° | 120.1° |
| C4' | C2' | C3' | 110.4° | 109.5° |
| C4' | C2' | O1' | 108.0° | 109.5° |
| C4' | C2' | H12 | 109.0° | 109.5° |
| C2' | C4' | H13 | 109.5° | 109.4° |
| C2' | C4' | H14 | 109.5° | 109.5° |
| C2' | C4' | H15 | 109.5° | 109.5° |
| C12 | C11 | C10 | 119.9° | 120.2° |
| C12 | C11 | H111 | 120.1° | 119.9° |
| C11 | C12 | H2 | 120.0° | 120.0° |
| C14 | C9 | C10 | 120.0° | 119.8° |
| C14 | C9 | C6 | 119.4° | 120.1° |
| C9 | C14 | H1 | 119.9° | 120.0° |
| C3' | C2' | O1' | 109.6° | 109.4° |
| C3' | C2' | H12 | 109.0° | 109.4° |
| C2' | C3' | H17 | 109.5° | 109.4° |
| C2' | C3' | H18 | 109.5° | 109.5° |
| C2' | C3' | H16 | 109.5° | 109.4° |
| C2' | O1' | C1 | 117.6° | 117.0° |
| O1' | C2' | H12 | 110.8° | 109.5° |
| O1' | C1 | O | 121.6° | 120.0° |
| O1' | C1 | C2 | 121.0° | 120.0° |
| C11 | C10 | C9 | 120.1° | 119.8° |
| C11 | C10 | H6 | 119.9° | 120.1° |
| C10 | C11 | H111 | 120.0° | 119.8° |
| C10 | C9 | C6 | 120.7° | 120.1° |
| C9 | C10 | H6 | 120.0° | 120.0° |
| C9 | C6 | N5 | 124.9° | 125.6° |
| C9 | C6 | N7 | 126.3° | 125.6° |
| C6 | N5 | N4 | 109.6° | 106.7° |
| N5 | C6 | N7 | 108.9° | 108.7° |
| N5 | N4 | C3 | 124.6° | 126.7° |
| N5 | N4 | C8 | 108.1° | 106.5° |
| C6 | N7 | C8 | 105.3° | 109.8° |
| N4 | C3 | C2 | 108.9° | 109.5° |
| C3 | N4 | C8 | 127.2° | 126.7° |
| N4 | C3 | H8 | 109.6° | 109.5° |
| N4 | C3 | H3 | 109.6° | 109.5° |
| C3 | C2 | C1 | 111.6° | 109.5° |
| C2 | C3 | H8 | 109.6° | 109.5° |
| C2 | C3 | H3 | 109.6° | 109.4° |
| C3 | C2 | H10 | 109.0° | 109.5° |
| C3 | C2 | H11 | 108.9° | 109.4° |
| O | C1 | C2 | 117.4° | 120.0° |
| C1 | C2 | H10 | 108.9° | 109.5° |
| C1 | C2 | H11 | 108.9° | 109.5° |
| N4 | C8 | N7 | 108.1° | 108.3° |
| N4 | C8 | H7 | 125.9° | 125.9° |
| N7 | C8 | H7 | 125.9° | 125.8° |
| H8 | C3 | H3 | 109.4° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H17 | C3' | H18 | 109.4° | 109.5° |
| H17 | C3' | H16 | 109.4° | 109.4° |
| H18 | C3' | H16 | 109.5° | 109.5° |
| H13 | C4' | H14 | 109.5° | 109.5° |
| H13 | C4' | H15 | 109.5° | 109.4° |
| H14 | C4' | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL17 | C13 | C12 | C14 | 179.9° | 179.7° |
| CL17 | C13 | C12 | C11 | 179.9° | 179.9° |
| CL17 | C13 | C14 | C9 | 179.9° | 179.6° |
| CL17 | C13 | C12 | H2 | 0.1° | 0.1° |
| CL17 | C13 | C14 | H1 | 0.0° | 0.2° |
| C13 | C12 | C11 | H2 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.1° | 0.6° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H111 | 179.9° | 180.0° |
| C12 | C13 | C14 | H1 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.3° |
| C13 | C14 | C9 | H1 | 180.0° | 179.4° |
| C13 | C14 | C9 | C10 | 0.2° | 0.6° |
| C13 | C14 | C9 | C6 | 180.0° | 179.7° |
| C14 | C13 | C12 | H2 | 180.0° | 179.8° |
| C4' | C2' | C3' | O1' | 118.9° | 120.0° |
| C4' | C2' | C3' | H12 | 119.7° | 120.0° |
| C4' | C2' | O1' | H12 | 119.3° | 120.1° |
| C4' | C2' | O1' | C1 | 179.4° | 150.0° |
| C4' | C2' | C3' | H17 | 180.0° | 60.0° |
| C4' | C2' | C3' | H18 | 60.0° | 180.0° |
| C4' | C2' | C3' | H16 | 60.0° | 60.0° |
| C2' | C4' | H13 | H14 | 120.0° | 120.0° |
| C2' | C4' | H13 | H15 | 120.0° | 120.0° |
| C2' | C4' | H14 | H15 | 120.0° | 120.1° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.0° | 0.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C14 | C9 | C10 | C11 | 0.1° | 0.3° |
| C14 | C9 | C10 | C6 | 179.9° | 179.7° |
| C14 | C9 | C6 | N5 | 10.1° | 0.8° |
| C14 | C9 | C6 | N7 | 169.2° | 179.7° |
| C14 | C9 | C10 | H6 | 179.9° | 179.7° |
| C3' | C2' | O1' | H12 | 120.3° | 119.9° |
| C3' | C2' | O1' | C1 | 60.2° | 90.0° |
| C2' | C3' | H17 | H18 | 120.0° | 120.0° |
| C2' | C3' | H17 | H16 | 120.0° | 119.9° |
| C2' | C3' | H18 | H16 | 120.0° | 120.0° |
| C3' | C2' | C4' | H13 | 180.0° | 180.0° |
| C3' | C2' | C4' | H14 | 60.0° | 60.0° |
| C3' | C2' | C4' | H15 | 60.0° | 60.0° |
| C2' | O1' | C1 | O | 30.7° | 0.0° |
| C2' | O1' | C1 | C2 | 147.5° | 179.7° |
| O1' | C2' | C3' | H17 | 61.1° | 180.0° |
| O1' | C2' | C3' | H18 | 178.9° | 60.0° |
| O1' | C2' | C3' | H16 | 58.8° | 60.1° |
| O1' | C2' | C4' | H13 | 60.1° | 60.0° |
| O1' | C2' | C4' | H14 | 59.9° | 180.0° |
| O1' | C2' | C4' | H15 | 179.8° | 60.0° |
| O1' | C1 | C2 | C3 | 46.4° | 179.7° |
| O1' | C1 | O | C2 | 178.3° | 179.7° |
| O1' | C1 | C2 | H10 | 166.7° | 60.3° |
| O1' | C1 | C2 | H11 | 73.9° | 59.8° |
| C1 | O1' | C2' | H12 | 60.1° | 29.9° |
| C11 | C10 | C9 | H6 | 180.0° | 180.0° |
| C11 | C10 | C9 | C6 | 180.0° | 180.0° |
| C10 | C11 | C12 | H2 | 179.9° | 179.9° |
| C10 | C9 | C6 | N5 | 170.0° | 179.5° |
| C10 | C9 | C6 | N7 | 10.6° | 0.0° |
| C9 | C10 | C11 | H111 | 179.9° | 180.0° |
| C10 | C9 | C14 | H1 | 179.9° | 180.0° |
| C9 | C6 | N5 | N7 | 179.5° | 179.6° |
| C9 | C6 | N5 | N4 | 179.0° | 179.8° |
| C9 | C6 | N7 | C8 | 179.8° | 180.0° |
| C6 | C9 | C10 | H6 | 0.0° | 0.1° |
| C6 | C9 | C14 | H1 | 0.0° | 0.3° |
| C6 | N5 | N4 | C3 | 178.3° | 180.0° |
| C6 | N5 | N4 | C8 | 1.7° | 0.0° |
| N5 | C6 | N7 | C8 | 0.7° | 0.4° |
| N4 | N5 | C6 | N7 | 1.5° | 0.3° |
| N5 | N4 | C3 | C8 | 176.0° | 179.9° |
| N5 | N4 | C3 | C2 | 116.6° | 55.0° |
| N5 | N4 | C8 | N7 | 1.2° | 0.2° |
| N5 | N4 | C8 | H7 | 178.8° | 179.9° |
| N5 | N4 | C3 | H8 | 123.4° | 175.0° |
| N5 | N4 | C3 | H3 | 3.3° | 65.0° |
| C6 | N7 | C8 | N4 | 0.3° | 0.4° |
| C6 | N7 | C8 | H7 | 179.7° | 179.8° |
| N4 | C3 | C2 | H8 | 119.9° | 120.0° |
| N4 | C3 | C2 | H3 | 119.9° | 120.0° |
| N4 | C3 | C2 | C1 | 107.7° | 180.0° |
| C3 | N4 | C8 | N7 | 177.7° | 179.7° |
| C3 | N4 | C8 | H7 | 2.2° | 0.1° |
| N4 | C3 | H8 | H3 | 120.2° | 120.0° |
| N4 | C3 | C2 | H10 | 12.6° | 60.0° |
| N4 | C3 | C2 | H11 | 132.0° | 60.0° |
| C3 | C2 | C1 | O | 135.3° | 0.0° |
| C3 | C2 | C1 | H10 | 120.3° | 120.0° |
| C3 | C2 | C1 | H11 | 120.3° | 120.0° |
| C2 | C3 | N4 | C8 | 59.3° | 125.0° |
| C2 | C3 | H8 | H3 | 120.2° | 120.0° |
| C3 | C2 | H10 | H11 | 119.1° | 120.0° |
| O | C1 | C2 | H10 | 15.0° | 120.0° |
| O | C1 | C2 | H11 | 104.3° | 120.0° |
| C1 | C2 | C3 | H8 | 132.4° | 60.0° |
| C1 | C2 | C3 | H3 | 12.3° | 60.0° |
| C1 | C2 | H10 | H11 | 119.0° | 120.0° |
| N4 | C8 | N7 | H7 | 180.0° | 179.8° |
| C8 | N4 | C3 | H8 | 60.6° | 5.0° |
| C8 | N4 | C3 | H3 | 179.3° | 115.1° |
| H8 | C3 | C2 | H10 | 107.3° | 180.0° |
| H8 | C3 | C2 | H11 | 12.1° | 60.0° |
| H3 | C3 | C2 | H10 | 132.6° | 60.0° |
| H3 | C3 | C2 | H11 | 108.0° | 180.0° |
| H6 | C10 | C11 | H111 | 0.0° | 0.0° |
| H111 | C11 | C12 | H2 | 0.1° | 0.1° |
| H12 | C2' | C3' | H17 | 60.3° | 60.1° |
| H12 | C2' | C3' | H18 | 59.7° | 59.9° |
| H12 | C2' | C3' | H16 | 179.7° | 180.0° |
| H12 | C2' | C4' | H13 | 60.3° | 60.0° |
| H12 | C2' | C4' | H14 | 179.7° | 60.0° |
| H12 | C2' | C4' | H15 | 59.7° | 180.0° |
| H17 | C3' | H18 | H16 | 119.9° | 120.0° |
| H13 | C4' | H14 | H15 | 120.0° | 119.9° |
