A1MAL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | sing | 1.32Å | 0.00Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 0.00Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 0.00Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 0.00Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 0.00Å | |
| O4' | C1' | sing | 1.44Å | 0.00Å | |
| O3' | C3' | sing | 1.43Å | 0.00Å | |
| C4' | C5' | sing | 1.53Å | 0.00Å | |
| C4' | C3' | sing | 1.55Å | 0.00Å | |
| C4 | N9 | sing | 1.37Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 0.00Å | Aromatic |
| C1' | N9 | sing | 1.46Å | 0.00Å | |
| C1' | C2' | sing | 1.55Å | 0.00Å | |
| C5' | O5' | sing | 1.43Å | 0.00Å | |
| C3' | C2' | sing | 1.55Å | 0.00Å | |
| C6 | C5 | doub | 1.41Å | 0.00Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 0.00Å | |
| N9 | C8 | sing | 1.36Å | 0.00Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 0.00Å | Aromatic |
| SD | CE | sing | 1.81Å | 0.00Å | |
| SD | CG | sing | 1.81Å | 0.00Å | |
| C2' | O2' | sing | 1.43Å | 0.00Å | |
| O5' | S1 | sing | 1.52Å | 0.00Å | |
| C8 | N7 | doub | 1.30Å | 0.00Å | Aromatic |
| CB | CG | sing | 1.53Å | 0.00Å | |
| CB | CA | sing | 1.53Å | 0.00Å | |
| O1S | S1 | doub | 1.42Å | 0.00Å | |
| S1 | N8 | sing | 1.66Å | 0.00Å | |
| S1 | O2S | doub | 1.42Å | 0.00Å | |
| N8 | C9 | sing | 1.35Å | 0.00Å | |
| N2 | CA | sing | 1.47Å | 0.00Å | |
| C9 | CA | sing | 1.51Å | 0.00Å | |
| C9 | O1 | doub | 1.21Å | 0.00Å | |
| N2 | H1 | sing | 1.01Å | 0.00Å | |
| N2 | H2 | sing | 1.01Å | 0.00Å | |
| CA | H4 | sing | 1.09Å | 0.00Å | |
| CB | H5 | sing | 1.09Å | 0.00Å | |
| CB | H6 | sing | 1.09Å | 0.00Å | |
| CG | H7 | sing | 1.09Å | 0.00Å | |
| CG | H8 | sing | 1.09Å | 0.00Å | |
| CE | H9 | sing | 1.09Å | 0.00Å | |
| CE | H10 | sing | 1.09Å | 0.00Å | |
| CE | H11 | sing | 1.09Å | 0.00Å | |
| N8 | H12 | sing | 0.97Å | 0.00Å | |
| C5' | H13 | sing | 1.09Å | 0.00Å | |
| C5' | H14 | sing | 1.09Å | 0.00Å | |
| C4' | H15 | sing | 1.09Å | 0.00Å | |
| C3' | H16 | sing | 1.09Å | 0.00Å | |
| O3' | H17 | sing | 0.97Å | 0.00Å | |
| C2' | H18 | sing | 1.09Å | 0.00Å | |
| O2' | H19 | sing | 0.97Å | 0.00Å | |
| C1' | H20 | sing | 1.09Å | 0.00Å | |
| C8 | H21 | sing | 1.08Å | 0.00Å | |
| N6 | H22 | sing | 0.97Å | 0.00Å | |
| N6 | H23 | sing | 0.97Å | 0.00Å | |
| C2 | H24 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 90.0° | 122.5° |
| C2 | N3 | C4 | 90.0° | 120.6° |
| N3 | C2 | H24 | 90.0° | 118.7° |
| C2 | N1 | C6 | 90.0° | 121.2° |
| N1 | C2 | H24 | 90.0° | 118.8° |
| N3 | C4 | N9 | 90.0° | 134.9° |
| N3 | C4 | C5 | 90.0° | 119.1° |
| N1 | C6 | C5 | 90.0° | 118.4° |
| N1 | C6 | N6 | 90.0° | 120.8° |
| C4' | O4' | C1' | 90.0° | 105.3° |
| O4' | C4' | C5' | 90.0° | 110.4° |
| O4' | C4' | C3' | 90.0° | 104.8° |
| O4' | C4' | H15 | 90.0° | 110.5° |
| O4' | C1' | N9 | 90.0° | 110.4° |
| O4' | C1' | C2' | 90.0° | 104.8° |
| O4' | C1' | H20 | 90.0° | 110.4° |
| O3' | C3' | C4' | 90.0° | 110.5° |
| O3' | C3' | C2' | 90.0° | 110.5° |
| O3' | C3' | H16 | 90.0° | 110.6° |
| C3' | O3' | H17 | 90.0° | 114.0° |
| C5' | C4' | C3' | 90.0° | 110.3° |
| C4' | C5' | O5' | 90.0° | 109.5° |
| C4' | C5' | H13 | 90.0° | 109.5° |
| C4' | C5' | H14 | 90.0° | 109.5° |
| C5' | C4' | H15 | 90.0° | 110.4° |
| C4' | C3' | C2' | 90.0° | 104.0° |
| C3' | C4' | H15 | 90.0° | 110.4° |
| C4' | C3' | H16 | 90.0° | 110.5° |
| N9 | C4 | C5 | 90.0° | 106.0° |
| C4 | N9 | C1' | 90.0° | 126.3° |
| C4 | N9 | C8 | 90.0° | 107.4° |
| C4 | C5 | C6 | 90.0° | 118.2° |
| C4 | C5 | N7 | 90.0° | 107.1° |
| N9 | C1' | C2' | 90.0° | 110.4° |
| C1' | N9 | C8 | 90.0° | 126.2° |
| N9 | C1' | H20 | 90.0° | 110.3° |
| C1' | C2' | C3' | 90.0° | 104.1° |
| C1' | C2' | O2' | 90.0° | 110.5° |
| C1' | C2' | H18 | 90.0° | 110.6° |
| C2' | C1' | H20 | 90.0° | 110.4° |
| C5' | O5' | S1 | 90.0° | 114.0° |
| O5' | C5' | H13 | 90.0° | 109.5° |
| O5' | C5' | H14 | 90.0° | 109.4° |
| C3' | C2' | O2' | 90.0° | 110.5° |
| C2' | C3' | H16 | 90.0° | 110.5° |
| C3' | C2' | H18 | 90.0° | 110.5° |
| C5 | C6 | N6 | 90.0° | 120.8° |
| C6 | C5 | N7 | 90.0° | 134.7° |
| C6 | N6 | H22 | 90.0° | 120.0° |
| C6 | N6 | H23 | 90.0° | 120.0° |
| N9 | C8 | N7 | 90.0° | 109.9° |
| N9 | C8 | H21 | 90.0° | 125.0° |
| C5 | N7 | C8 | 90.0° | 109.4° |
| CE | SD | CG | 90.0° | 103.0° |
| SD | CE | H9 | 90.0° | 109.4° |
| SD | CE | H10 | 90.0° | 109.5° |
| SD | CE | H11 | 90.0° | 109.5° |
| SD | CG | CB | 90.0° | 109.5° |
| SD | CG | H7 | 90.0° | 109.5° |
| SD | CG | H8 | 90.0° | 109.5° |
| O2' | C2' | H18 | 90.0° | 110.5° |
| C2' | O2' | H19 | 90.0° | 114.0° |
| O5' | S1 | O1S | 90.0° | 106.4° |
| O5' | S1 | N8 | 90.0° | 107.2° |
| O5' | S1 | O2S | 90.0° | 106.4° |
| N7 | C8 | H21 | 90.0° | 125.0° |
| CG | CB | CA | 90.0° | 109.5° |
| CG | CB | H5 | 90.0° | 109.5° |
| CG | CB | H6 | 90.0° | 109.4° |
| CB | CG | H7 | 90.0° | 109.5° |
| CB | CG | H8 | 90.0° | 109.5° |
| CB | CA | N2 | 90.0° | 109.5° |
| CB | CA | C9 | 90.0° | 109.5° |
| CB | CA | H4 | 90.0° | 109.4° |
| CA | CB | H5 | 90.0° | 109.4° |
| CA | CB | H6 | 90.0° | 109.4° |
| O1S | S1 | N8 | 90.0° | 106.4° |
| O1S | S1 | O2S | 90.0° | 123.2° |
| N8 | S1 | O2S | 90.0° | 106.4° |
| S1 | N8 | C9 | 90.0° | 120.0° |
| S1 | N8 | H12 | 90.0° | 120.0° |
| N8 | C9 | CA | 90.0° | 120.0° |
| N8 | C9 | O1 | 90.0° | 120.0° |
| C9 | N8 | H12 | 90.0° | 120.1° |
| N2 | CA | C9 | 90.0° | 109.5° |
| CA | N2 | H1 | 90.0° | 111.0° |
| CA | N2 | H2 | 90.0° | 111.0° |
| N2 | CA | H4 | 90.0° | 109.5° |
| CA | C9 | O1 | 90.0° | 120.0° |
| C9 | CA | H4 | 90.0° | 109.5° |
| H1 | N2 | H2 | 90.0° | 111.0° |
| H5 | CB | H6 | 90.0° | 109.5° |
| H7 | CG | H8 | 90.0° | 109.4° |
| H9 | CE | H10 | 90.0° | 109.5° |
| H9 | CE | H11 | 90.0° | 109.4° |
| H10 | CE | H11 | 90.0° | 109.5° |
| H13 | C5' | H14 | 90.0° | 109.5° |
| H22 | N6 | H23 | 90.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | H24 | 90.0° | 179.7° |
| N3 | C2 | N1 | C6 | 90.0° | 0.0° |
| C2 | N3 | C4 | N9 | 90.0° | 179.6° |
| C2 | N3 | C4 | C5 | 90.0° | 0.5° |
| N1 | C2 | N3 | C4 | 90.0° | 0.3° |
| C2 | N1 | C6 | C5 | 90.0° | 0.0° |
| C2 | N1 | C6 | N6 | 90.0° | 180.0° |
| N3 | C4 | N9 | C5 | 90.0° | 179.1° |
| N3 | C4 | N9 | C1' | 90.0° | 0.8° |
| N3 | C4 | C5 | C6 | 90.0° | 0.5° |
| N3 | C4 | N9 | C8 | 90.0° | 179.5° |
| N3 | C4 | C5 | N7 | 90.0° | 179.6° |
| C4 | N3 | C2 | H24 | 90.0° | 180.0° |
| N1 | C6 | C5 | C4 | 90.0° | 0.2° |
| N1 | C6 | C5 | N6 | 90.0° | 179.9° |
| N1 | C6 | C5 | N7 | 90.0° | 180.0° |
| N1 | C6 | N6 | H22 | 90.0° | 180.0° |
| N1 | C6 | N6 | H23 | 90.0° | 0.1° |
| C6 | N1 | C2 | H24 | 90.0° | 179.7° |
| O4' | C4' | C3' | O3' | 90.0° | 142.7° |
| O4' | C4' | C5' | C3' | 90.0° | 115.3° |
| O4' | C4' | C5' | H15 | 90.0° | 122.4° |
| O4' | C4' | C3' | H15 | 90.0° | 119.0° |
| C4' | O4' | C1' | N9 | 90.0° | 159.4° |
| C4' | O4' | C1' | C2' | 90.0° | 40.5° |
| O4' | C4' | C5' | O5' | 90.0° | 69.7° |
| O4' | C4' | C3' | C2' | 90.0° | 24.0° |
| O4' | C4' | C5' | H13 | 90.0° | 50.3° |
| O4' | C4' | C5' | H14 | 90.0° | 170.4° |
| O4' | C4' | C3' | H16 | 90.0° | 94.6° |
| C4' | O4' | C1' | H20 | 90.0° | 78.3° |
| C1' | O4' | C4' | C5' | 90.0° | 159.3° |
| C1' | O4' | C4' | C3' | 90.0° | 40.5° |
| O4' | C1' | N9 | C4 | 90.0° | 156.7° |
| O4' | C1' | N9 | C2' | 90.0° | 115.4° |
| O4' | C1' | N9 | H20 | 90.0° | 122.3° |
| O4' | C1' | C2' | H20 | 90.0° | 118.9° |
| O4' | C1' | C2' | C3' | 90.0° | 24.0° |
| O4' | C1' | N9 | C8 | 90.0° | 23.5° |
| O4' | C1' | C2' | O2' | 90.0° | 142.7° |
| C1' | O4' | C4' | H15 | 90.0° | 78.3° |
| O4' | C1' | C2' | H18 | 90.0° | 94.7° |
| O3' | C3' | C4' | C5' | 90.0° | 98.5° |
| O3' | C3' | C4' | C2' | 90.0° | 118.6° |
| O3' | C3' | C4' | H16 | 90.0° | 122.7° |
| O3' | C3' | C2' | C1' | 90.0° | 118.6° |
| O3' | C3' | C2' | H16 | 90.0° | 122.8° |
| O3' | C3' | C2' | O2' | 90.0° | 0.1° |
| O3' | C3' | C4' | H15 | 90.0° | 23.7° |
| O3' | C3' | C2' | H18 | 90.0° | 122.6° |
| C5' | C4' | C3' | H15 | 90.0° | 122.2° |
| C4' | C5' | O5' | H13 | 90.0° | 120.0° |
| C4' | C5' | O5' | H14 | 90.0° | 120.0° |
| C5' | C4' | C3' | C2' | 90.0° | 142.8° |
| C4' | C5' | O5' | S1 | 90.0° | 180.0° |
| C4' | C5' | H13 | H14 | 90.0° | 120.0° |
| C5' | C4' | C3' | H16 | 90.0° | 24.2° |
| C4' | C3' | C2' | C1' | 90.0° | 0.0° |
| C3' | C4' | C5' | O5' | 90.0° | 175.0° |
| C4' | C3' | C2' | H16 | 90.0° | 118.6° |
| C4' | C3' | C2' | O2' | 90.0° | 118.7° |
| C3' | C4' | C5' | H13 | 90.0° | 65.0° |
| C3' | C4' | C5' | H14 | 90.0° | 55.0° |
| C4' | C3' | O3' | H17 | 90.0° | 180.0° |
| C4' | C3' | C2' | H18 | 90.0° | 118.8° |
| C4 | N9 | C1' | C8 | 90.0° | 179.7° |
| C4 | N9 | C1' | C2' | 90.0° | 87.9° |
| N9 | C4 | C5 | C6 | 90.0° | 179.8° |
| N9 | C4 | C5 | N7 | 90.0° | 0.4° |
| C4 | N9 | C8 | N7 | 90.0° | 0.2° |
| C4 | N9 | C1' | H20 | 90.0° | 34.4° |
| C4 | N9 | C8 | H21 | 90.0° | 179.7° |
| C5 | C4 | N9 | C1' | 90.0° | 179.9° |
| C4 | C5 | C6 | N7 | 90.0° | 179.8° |
| C4 | C5 | C6 | N6 | 90.0° | 179.7° |
| C5 | C4 | N9 | C8 | 90.0° | 0.3° |
| C4 | C5 | N7 | C8 | 90.0° | 0.2° |
| N9 | C1' | C2' | H20 | 90.0° | 122.2° |
| N9 | C1' | C2' | C3' | 90.0° | 142.8° |
| N9 | C1' | C2' | O2' | 90.0° | 98.5° |
| C1' | N9 | C8 | N7 | 90.0° | 180.0° |
| N9 | C1' | C2' | H18 | 90.0° | 24.2° |
| C1' | N9 | C8 | H21 | 90.0° | 0.1° |
| C1' | C2' | C3' | O2' | 90.0° | 118.7° |
| C1' | C2' | C3' | H18 | 90.0° | 118.8° |
| C2' | C1' | N9 | C8 | 90.0° | 91.9° |
| C1' | C2' | O2' | H18 | 90.0° | 122.8° |
| C1' | C2' | C3' | H16 | 90.0° | 118.6° |
| C1' | C2' | O2' | H19 | 90.0° | 176.1° |
| C5' | O5' | S1 | O1S | 90.0° | 38.5° |
| C5' | O5' | S1 | N8 | 90.0° | 75.0° |
| C5' | O5' | S1 | O2S | 90.0° | 171.5° |
| O5' | C5' | H13 | H14 | 90.0° | 120.0° |
| O5' | C5' | C4' | H15 | 90.0° | 52.7° |
| C3' | C2' | O2' | H18 | 90.0° | 122.6° |
| C2' | C3' | C4' | H15 | 90.0° | 95.0° |
| C2' | C3' | O3' | H17 | 90.0° | 65.4° |
| C3' | C2' | O2' | H19 | 90.0° | 61.4° |
| C3' | C2' | C1' | H20 | 90.0° | 94.9° |
| C6 | C5 | N7 | C8 | 90.0° | 180.0° |
| C5 | C6 | N6 | H22 | 90.0° | 0.0° |
| C5 | C6 | N6 | H23 | 90.0° | 180.0° |
| N6 | C6 | C5 | N7 | 90.0° | 0.1° |
| C6 | N6 | H22 | H23 | 90.0° | 180.0° |
| N9 | C8 | N7 | C5 | 90.0° | 0.0° |
| N9 | C8 | N7 | H21 | 90.0° | 179.9° |
| C8 | N9 | C1' | H20 | 90.0° | 145.8° |
| C5 | N7 | C8 | H21 | 90.0° | 179.9° |
| CE | SD | CG | CB | 90.0° | 180.0° |
| CE | SD | CG | H7 | 90.0° | 60.0° |
| CE | SD | CG | H8 | 90.0° | 60.0° |
| SD | CE | H9 | H10 | 90.0° | 120.0° |
| SD | CE | H9 | H11 | 90.0° | 120.0° |
| SD | CE | H10 | H11 | 90.0° | 120.0° |
| SD | CG | CB | H7 | 90.0° | 120.1° |
| SD | CG | CB | H8 | 90.0° | 120.0° |
| SD | CG | CB | CA | 90.0° | 180.0° |
| SD | CG | CB | H5 | 90.0° | 60.0° |
| SD | CG | CB | H6 | 90.0° | 60.0° |
| SD | CG | H7 | H8 | 90.0° | 120.0° |
| CG | SD | CE | H9 | 90.0° | 60.0° |
| CG | SD | CE | H10 | 90.0° | 180.0° |
| CG | SD | CE | H11 | 90.0° | 60.0° |
| O2' | C2' | C3' | H16 | 90.0° | 122.7° |
| O2' | C2' | C1' | H20 | 90.0° | 23.8° |
| O5' | S1 | O1S | N8 | 90.0° | 114.1° |
| O5' | S1 | O1S | O2S | 90.0° | 123.0° |
| O5' | S1 | N8 | O2S | 90.0° | 113.5° |
| O5' | S1 | N8 | C9 | 90.0° | 65.0° |
| O5' | S1 | N8 | H12 | 90.0° | 115.0° |
| S1 | O5' | C5' | H13 | 90.0° | 60.0° |
| S1 | O5' | C5' | H14 | 90.0° | 60.0° |
| CG | CB | CA | H5 | 90.0° | 120.0° |
| CG | CB | CA | H6 | 90.0° | 120.0° |
| CG | CB | CA | N2 | 90.0° | 65.0° |
| CG | CB | CA | C9 | 90.0° | 175.0° |
| CG | CB | CA | H4 | 90.0° | 54.9° |
| CG | CB | H5 | H6 | 90.0° | 120.0° |
| CB | CG | H7 | H8 | 90.0° | 120.0° |
| CB | CA | C9 | N8 | 90.0° | 80.0° |
| CB | CA | N2 | C9 | 90.0° | 120.0° |
| CB | CA | N2 | H4 | 90.0° | 119.9° |
| CB | CA | C9 | H4 | 90.0° | 120.0° |
| CB | CA | C9 | O1 | 90.0° | 100.0° |
| CB | CA | N2 | H1 | 90.0° | 176.0° |
| CB | CA | N2 | H2 | 90.0° | 60.0° |
| CA | CB | H5 | H6 | 90.0° | 120.0° |
| CA | CB | CG | H7 | 90.0° | 60.0° |
| CA | CB | CG | H8 | 90.0° | 60.0° |
| O1S | S1 | N8 | O2S | 90.0° | 132.9° |
| O1S | S1 | N8 | C9 | 90.0° | 178.5° |
| O1S | S1 | N8 | H12 | 90.0° | 1.4° |
| S1 | N8 | C9 | H12 | 90.0° | 180.0° |
| S1 | N8 | C9 | CA | 90.0° | 180.0° |
| S1 | N8 | C9 | O1 | 90.0° | 0.0° |
| O2S | S1 | N8 | C9 | 90.0° | 48.5° |
| O2S | S1 | N8 | H12 | 90.0° | 131.5° |
| N8 | C9 | CA | N2 | 90.0° | 160.0° |
| N8 | C9 | CA | O1 | 90.0° | 180.0° |
| N8 | C9 | CA | H4 | 90.0° | 40.0° |
| N2 | CA | C9 | H4 | 90.0° | 120.0° |
| N2 | CA | C9 | O1 | 90.0° | 20.0° |
| CA | N2 | H1 | H2 | 90.0° | 124.0° |
| N2 | CA | CB | H5 | 90.0° | 55.0° |
| N2 | CA | CB | H6 | 90.0° | 175.0° |
| C9 | CA | N2 | H1 | 90.0° | 64.0° |
| C9 | CA | N2 | H2 | 90.0° | 60.0° |
| C9 | CA | CB | H5 | 90.0° | 65.0° |
| C9 | CA | CB | H6 | 90.0° | 55.0° |
| CA | C9 | N8 | H12 | 90.0° | 0.0° |
| O1 | C9 | CA | H4 | 90.0° | 140.0° |
| O1 | C9 | N8 | H12 | 90.0° | 179.9° |
| H1 | N2 | CA | H4 | 90.0° | 56.1° |
| H2 | N2 | CA | H4 | 90.0° | 179.9° |
| H4 | CA | CB | H5 | 90.0° | 175.0° |
| H4 | CA | CB | H6 | 90.0° | 65.0° |
| H5 | CB | CG | H7 | 90.0° | 180.0° |
| H5 | CB | CG | H8 | 90.0° | 60.0° |
| H6 | CB | CG | H7 | 90.0° | 60.0° |
| H6 | CB | CG | H8 | 90.0° | 180.0° |
| H9 | CE | H10 | H11 | 90.0° | 120.0° |
| H13 | C5' | C4' | H15 | 90.0° | 172.8° |
| H14 | C5' | C4' | H15 | 90.0° | 67.2° |
| H15 | C4' | C3' | H16 | 90.0° | 146.4° |
| H16 | C3' | O3' | H17 | 90.0° | 57.3° |
| H16 | C3' | C2' | H18 | 90.0° | 0.2° |
| H18 | C2' | O2' | H19 | 90.0° | 61.2° |
| H18 | C2' | C1' | H20 | 90.0° | 146.4° |
