4CT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| CL1 | C11 | sing | 1.74Å | 1.82Å | |
| C2 | N3 | sing | 1.31Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C9 | sing | 1.46Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.39Å | |
| N7 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.57Å | |
| C1' | N1' | sing | 1.49Å | 1.49Å | |
| C1' | C4' | sing | 1.54Å | 1.58Å | |
| N1' | C10 | sing | 1.47Å | 1.46Å | |
| N1' | C2' | sing | 1.49Å | 1.46Å | |
| C11 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C9' | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C7' | doub | 1.39Å | 1.44Å | Aromatic |
| C2' | C3' | sing | 1.54Å | 1.55Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C5' | S6' | sing | 1.81Å | 1.81Å | |
| S6' | C7' | sing | 1.76Å | 1.71Å | |
| C7' | C8' | sing | 1.39Å | 1.40Å | Aromatic |
| C8' | C9' | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C8' | H8' | sing | 1.08Å | 1.08Å | |
| C9' | H9' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 118.4° | 121.4° |
| N1 | C2 | N3 | 122.2° | 122.4° |
| N1 | C2 | H2 | 118.9° | 118.8° |
| N1 | C6 | C5 | 120.5° | 118.6° |
| N1 | C6 | N6 | 119.4° | 120.7° |
| CL1 | C11 | C13 | 116.7° | 119.9° |
| CL1 | C11 | C9' | 121.3° | 119.9° |
| C2 | N3 | C4 | 120.4° | 120.4° |
| N3 | C2 | H2 | 118.9° | 118.8° |
| N3 | C4 | C5 | 118.6° | 119.1° |
| N3 | C4 | C9 | 130.1° | 134.9° |
| C5 | C4 | C9 | 111.3° | 106.0° |
| C4 | C5 | C6 | 119.8° | 118.1° |
| C4 | C5 | N7 | 107.6° | 107.3° |
| C4 | C9 | C8 | 103.1° | 107.0° |
| C4 | C9 | C10 | 133.1° | 126.5° |
| C6 | C5 | N7 | 132.6° | 134.6° |
| C5 | C6 | N6 | 120.2° | 120.6° |
| C5 | N7 | C8 | 107.1° | 109.8° |
| C5 | N7 | HN7 | 126.4° | 125.1° |
| C6 | N6 | HN6 | 109.5° | 119.9° |
| C6 | N6 | HN6A | 109.5° | 120.1° |
| N7 | C8 | C9 | 110.9° | 109.9° |
| C8 | N7 | HN7 | 126.4° | 125.1° |
| N7 | C8 | H8 | 124.5° | 125.1° |
| C8 | C9 | C10 | 123.8° | 126.5° |
| C9 | C8 | H8 | 124.5° | 125.0° |
| C9 | C10 | N1' | 109.7° | 109.5° |
| C9 | C10 | H10 | 109.4° | 109.5° |
| C9 | C10 | H10A | 109.4° | 109.5° |
| N1' | C1' | C4' | 99.4° | 104.6° |
| C1' | N1' | C10 | 121.5° | 111.0° |
| C1' | N1' | C2' | 117.8° | 104.2° |
| N1' | C1' | H1' | 113.0° | 110.4° |
| N1' | C1' | H1'A | 113.0° | 110.4° |
| C1' | C4' | C3' | 104.4° | 105.0° |
| C1' | C4' | C5' | 111.0° | 110.4° |
| C4' | C1' | H1' | 113.0° | 110.4° |
| C4' | C1' | H1'A | 113.0° | 110.4° |
| C1' | C4' | H4' | 113.8° | 110.3° |
| C10 | N1' | C2' | 117.6° | 111.0° |
| N1' | C10 | H10 | 109.4° | 109.5° |
| N1' | C10 | H10A | 109.4° | 109.4° |
| N1' | C2' | C3' | 99.8° | 104.6° |
| N1' | C2' | H2' | 112.8° | 110.4° |
| N1' | C2' | H2'A | 112.8° | 110.4° |
| C13 | C11 | C9' | 121.9° | 120.2° |
| C11 | C13 | C14 | 116.8° | 120.0° |
| C11 | C13 | H13 | 121.6° | 120.0° |
| C11 | C9' | C8' | 121.0° | 120.1° |
| C11 | C9' | H9' | 119.5° | 120.0° |
| C13 | C14 | C7' | 122.1° | 120.0° |
| C14 | C13 | H13 | 121.6° | 120.0° |
| C13 | C14 | H14 | 119.0° | 120.0° |
| C14 | C7' | S6' | 115.7° | 120.1° |
| C14 | C7' | C8' | 118.1° | 119.8° |
| C7' | C14 | H14 | 119.0° | 120.0° |
| C2' | C3' | O3' | 102.8° | 110.3° |
| C2' | C3' | C4' | 106.5° | 105.1° |
| C3' | C2' | H2' | 112.8° | 110.4° |
| C3' | C2' | H2'A | 112.8° | 110.4° |
| C2' | C3' | H3' | 115.8° | 110.4° |
| O3' | C3' | C4' | 110.6° | 110.3° |
| O3' | C3' | H3' | 112.1° | 110.2° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | C5' | 114.8° | 110.3° |
| C4' | C3' | H3' | 108.8° | 110.4° |
| C3' | C4' | H4' | 110.0° | 110.3° |
| C4' | C5' | S6' | 110.9° | 109.5° |
| C5' | C4' | H4' | 103.3° | 110.4° |
| C4' | C5' | H5' | 109.0° | 109.5° |
| C4' | C5' | H5'A | 109.0° | 109.5° |
| C5' | S6' | C7' | 102.9° | 103.0° |
| S6' | C5' | H5' | 109.0° | 109.5° |
| S6' | C5' | H5'A | 109.0° | 109.5° |
| S6' | C7' | C8' | 126.1° | 120.1° |
| C7' | C8' | C9' | 119.7° | 119.9° |
| C7' | C8' | H8' | 120.2° | 120.0° |
| C9' | C8' | H8' | 120.1° | 120.0° |
| C8' | C9' | H9' | 119.5° | 119.9° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| H1' | C1' | H1'A | 105.7° | 110.5° |
| H10 | C10 | H10A | 109.6° | 109.5° |
| H2' | C2' | H2'A | 105.9° | 110.5° |
| H5' | C5' | H5'A | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.2° | 0.0° |
| C2 | N1 | C6 | C5 | 3.3° | 0.1° |
| C2 | N1 | C6 | N6 | 177.5° | 180.0° |
| C6 | N1 | C2 | N3 | 3.5° | 0.1° |
| N1 | C6 | C5 | C4 | 1.0° | 0.0° |
| N1 | C6 | C5 | N6 | 179.2° | 180.0° |
| N1 | C6 | C5 | N7 | 179.3° | 180.0° |
| C6 | N1 | C2 | H2 | 176.5° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| CL1 | C11 | C13 | C9' | 179.5° | 179.7° |
| CL1 | C11 | C13 | C14 | 178.4° | 180.0° |
| CL1 | C11 | C9' | C8' | 175.1° | 179.7° |
| CL1 | C11 | C13 | H13 | 1.6° | 0.0° |
| CL1 | C11 | C9' | H9' | 4.8° | 0.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| C2 | N3 | C4 | C9 | 178.9° | 180.0° |
| N3 | C4 | C5 | C9 | 178.2° | 180.0° |
| N3 | C4 | C5 | C6 | 1.2° | 0.0° |
| N3 | C4 | C5 | N7 | 177.4° | 180.0° |
| N3 | C4 | C9 | C8 | 177.4° | 180.0° |
| N3 | C4 | C9 | C10 | 5.5° | 0.0° |
| C4 | N3 | C2 | H2 | 178.8° | 180.0° |
| C4 | C5 | C6 | N7 | 178.3° | 180.0° |
| C4 | C5 | C6 | N6 | 179.7° | 180.0° |
| C4 | C5 | N7 | C8 | 0.6° | 0.0° |
| C5 | C4 | C9 | C8 | 0.5° | 0.0° |
| C5 | C4 | C9 | C10 | 176.6° | 180.0° |
| C4 | C5 | N7 | HN7 | 179.4° | 180.0° |
| C9 | C4 | C5 | C6 | 179.4° | 180.0° |
| C9 | C4 | C5 | N7 | 0.7° | 0.0° |
| C4 | C9 | C8 | N7 | 0.1° | 0.0° |
| C4 | C9 | C8 | C10 | 177.4° | 180.0° |
| C4 | C9 | C10 | N1' | 72.2° | 80.0° |
| C4 | C9 | C8 | H8 | 179.9° | 180.0° |
| C4 | C9 | C10 | H10 | 167.8° | 160.0° |
| C4 | C9 | C10 | H10A | 47.7° | 40.0° |
| C6 | C5 | N7 | C8 | 179.0° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.3° | 180.0° |
| C5 | C6 | N6 | HN6A | 59.3° | 0.0° |
| C6 | C5 | N7 | HN7 | 0.9° | 0.0° |
| N7 | C5 | C6 | N6 | 1.5° | 0.0° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | C9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | C9 | H8 | 180.0° | 180.0° |
| N7 | C8 | C9 | C10 | 177.3° | 180.0° |
| C8 | C9 | C10 | N1' | 111.2° | 100.1° |
| C9 | C8 | N7 | HN7 | 179.7° | 180.0° |
| C8 | C9 | C10 | H10 | 8.8° | 20.0° |
| C8 | C9 | C10 | H10A | 128.9° | 140.0° |
| C9 | C10 | N1' | C1' | 72.8° | 170.0° |
| C9 | C10 | N1' | H10 | 120.0° | 120.0° |
| C9 | C10 | N1' | H10A | 120.0° | 120.0° |
| C9 | C10 | N1' | C2' | 86.8° | 74.6° |
| C10 | C9 | C8 | H8 | 2.7° | 0.0° |
| C9 | C10 | H10 | H10A | 119.9° | 120.0° |
| N1' | C1' | C4' | H1' | 120.0° | 118.8° |
| N1' | C1' | C4' | H1'A | 120.0° | 118.7° |
| C1' | N1' | C10 | C2' | 159.6° | 115.4° |
| C1' | N1' | C2' | C3' | 12.2° | 39.5° |
| N1' | C1' | C4' | C3' | 26.4° | 23.9° |
| N1' | C1' | C4' | C5' | 97.8° | 142.8° |
| N1' | C1' | H1' | H1'A | 124.1° | 122.4° |
| C1' | N1' | C10 | H10 | 47.2° | 70.0° |
| C1' | N1' | C10 | H10A | 167.2° | 50.0° |
| C1' | N1' | C2' | H2' | 132.2° | 158.3° |
| C1' | N1' | C2' | H2'A | 107.8° | 79.2° |
| N1' | C1' | C4' | H4' | 146.3° | 95.0° |
| C4' | C1' | N1' | C10 | 150.9° | 159.0° |
| C4' | C1' | N1' | C2' | 8.7° | 39.5° |
| C1' | C4' | C3' | C2' | 36.1° | 0.0° |
| C1' | C4' | C3' | O3' | 75.0° | 118.9° |
| C1' | C4' | C3' | C5' | 121.7° | 118.9° |
| C1' | C4' | C3' | H4' | 122.4° | 118.9° |
| C1' | C4' | C5' | H4' | 122.3° | 122.2° |
| C1' | C4' | C5' | S6' | 175.6° | 66.5° |
| C4' | C1' | H1' | H1'A | 124.1° | 122.4° |
| C1' | C4' | C3' | H3' | 161.5° | 119.0° |
| C1' | C4' | C5' | H5' | 64.4° | 173.5° |
| C1' | C4' | C5' | H5'A | 55.6° | 53.5° |
| C10 | N1' | C2' | C3' | 172.6° | 159.0° |
| C10 | N1' | C1' | H1' | 30.9° | 40.3° |
| C10 | N1' | C1' | H1'A | 89.1° | 82.3° |
| N1' | C10 | H10 | H10A | 119.9° | 119.9° |
| C10 | N1' | C2' | H2' | 67.4° | 82.2° |
| C10 | N1' | C2' | H2'A | 52.6° | 40.3° |
| N1' | C2' | C3' | H2' | 120.0° | 118.8° |
| N1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| N1' | C2' | C3' | O3' | 87.1° | 95.1° |
| N1' | C2' | C3' | C4' | 29.2° | 23.8° |
| C2' | N1' | C1' | H1' | 128.7° | 79.3° |
| C2' | N1' | C1' | H1'A | 111.3° | 158.2° |
| C2' | N1' | C10 | H10 | 153.2° | 45.4° |
| C2' | N1' | C10 | H10A | 33.2° | 165.4° |
| N1' | C2' | H2' | H2'A | 123.9° | 122.4° |
| N1' | C2' | C3' | H3' | 150.3° | 142.9° |
| C11 | C13 | C14 | H13 | 180.0° | 179.9° |
| C11 | C13 | C14 | C7' | 5.0° | 0.0° |
| C13 | C11 | C9' | C8' | 4.3° | 0.6° |
| C11 | C13 | C14 | H14 | 175.0° | 180.0° |
| C13 | C11 | C9' | H9' | 175.7° | 179.7° |
| C9' | C11 | C13 | C14 | 2.2° | 0.3° |
| C11 | C9' | C8' | C7' | 8.0° | 0.6° |
| C11 | C9' | C8' | H9' | 180.0° | 179.7° |
| C9' | C11 | C13 | H13 | 177.8° | 179.8° |
| C11 | C9' | C8' | H8' | 172.0° | 179.7° |
| C13 | C14 | C7' | H14 | 180.0° | 180.0° |
| C13 | C14 | C7' | S6' | 175.4° | 180.0° |
| C13 | C14 | C7' | C8' | 1.4° | 0.1° |
| C14 | C7' | S6' | C5' | 91.4° | 180.0° |
| C14 | C7' | S6' | C8' | 176.6° | 180.0° |
| C14 | C7' | C8' | C9' | 5.1° | 0.3° |
| C7' | C14 | C13 | H13 | 175.0° | 180.0° |
| C14 | C7' | C8' | H8' | 174.9° | 180.0° |
| C2' | C3' | O3' | C4' | 113.4° | 115.7° |
| C2' | C3' | O3' | H3' | 125.0° | 122.1° |
| C2' | C3' | C4' | H3' | 125.5° | 119.0° |
| C2' | C3' | C4' | C5' | 85.7° | 118.9° |
| C3' | C2' | H2' | H2'A | 123.9° | 122.4° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | H4' | 158.5° | 118.8° |
| O3' | C3' | C4' | H3' | 123.5° | 122.1° |
| O3' | C3' | C4' | C5' | 163.3° | 122.2° |
| O3' | C3' | C2' | H2' | 32.9° | 23.7° |
| O3' | C3' | C2' | H2'A | 152.9° | 146.2° |
| O3' | C3' | C4' | H4' | 47.5° | 0.1° |
| C3' | C4' | C5' | H4' | 119.7° | 122.2° |
| C3' | C4' | C5' | S6' | 66.3° | 177.9° |
| C3' | C4' | C1' | H1' | 146.4° | 94.9° |
| C3' | C4' | C1' | H1'A | 93.6° | 142.6° |
| C4' | C3' | C2' | H2' | 149.2° | 142.7° |
| C4' | C3' | C2' | H2'A | 90.8° | 94.9° |
| C4' | C3' | O3' | HO3' | 66.6° | 177.1° |
| C3' | C4' | C5' | H5' | 53.7° | 57.9° |
| C3' | C4' | C5' | H5'A | 173.7° | 62.1° |
| C4' | C5' | S6' | H5' | 120.0° | 120.0° |
| C4' | C5' | S6' | H5'A | 120.0° | 120.0° |
| C4' | C5' | S6' | C7' | 73.8° | 180.0° |
| C5' | C4' | C1' | H1' | 22.3° | 24.0° |
| C5' | C4' | C1' | H1'A | 142.2° | 98.5° |
| C5' | C4' | C3' | H3' | 39.8° | 0.1° |
| C4' | C5' | H5' | H5'A | 119.4° | 120.0° |
| C5' | S6' | C7' | C8' | 92.0° | 0.0° |
| S6' | C5' | C4' | H4' | 53.3° | 55.8° |
| S6' | C5' | H5' | H5'A | 119.4° | 120.0° |
| S6' | C7' | C8' | C9' | 178.4° | 179.7° |
| S6' | C7' | C14 | H14 | 4.5° | 0.0° |
| C7' | S6' | C5' | H5' | 166.2° | 60.0° |
| C7' | S6' | C5' | H5'A | 46.2° | 60.0° |
| S6' | C7' | C8' | H8' | 1.6° | 0.0° |
| C7' | C8' | C9' | H8' | 180.0° | 179.7° |
| C8' | C7' | C14 | H14 | 178.6° | 180.0° |
| C7' | C8' | C9' | H9' | 172.0° | 179.7° |
| HN7 | N7 | C8 | H8 | 0.3° | 0.0° |
| H1' | C1' | C4' | H4' | 93.7° | 146.2° |
| H1'A | C1' | C4' | H4' | 26.3° | 23.7° |
| H13 | C13 | C14 | H14 | 5.0° | 0.0° |
| H2' | C2' | C3' | H3' | 89.7° | 98.3° |
| H2'A | C2' | C3' | H3' | 30.3° | 24.1° |
| H3' | C3' | O3' | HO3' | 55.0° | 60.7° |
| H3' | C3' | C4' | H4' | 76.0° | 122.2° |
| H4' | C4' | C5' | H5' | 173.3° | 64.3° |
| H4' | C4' | C5' | H5'A | 66.7° | 175.7° |
| H8' | C8' | C9' | H9' | 8.0° | 0.0° |
