A1C5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C3 | doub | 1.22Å | 1.34Å | |
| N2 | C3 | sing | 1.33Å | 1.30Å | |
| N2 | C1 | doub | 1.33Å | 1.34Å | |
| N1 | C1 | sing | 1.38Å | 1.43Å | |
| C3 | N4 | sing | 1.35Å | 1.36Å | |
| C1 | N9 | sing | 1.33Å | 1.31Å | |
| N4 | C5 | sing | 1.38Å | 1.36Å | |
| N4 | C7 | sing | 1.36Å | 1.30Å | |
| N9 | C7 | doub | 1.32Å | 1.35Å | |
| C5 | C6 | doub | 1.33Å | 1.39Å | |
| C7 | N7 | sing | 1.36Å | 1.36Å | |
| C6 | N7 | sing | 1.38Å | 1.33Å | |
| N7 | C1' | sing | 1.46Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.62Å | |
| C2' | C3' | sing | 1.54Å | 1.30Å | |
| C2' | O2' | sing | 1.43Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.33Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.56Å | |
| O4' | C4' | sing | 1.44Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.41Å | |
| C5' | O5' | sing | 1.43Å | 1.39Å | |
| O5' | P1 | sing | 1.61Å | 1.69Å | |
| OP5 | P2 | doub | 1.48Å | 1.51Å | |
| OP1 | P1 | sing | 1.61Å | 1.62Å | |
| OP1 | P2 | sing | 1.61Å | 1.63Å | |
| OP3 | P1 | doub | 1.48Å | 1.55Å | |
| P1 | OP2 | sing | 1.61Å | 1.48Å | |
| P2 | OP4 | sing | 1.61Å | 1.66Å | |
| P2 | OP6 | sing | 1.61Å | 1.48Å | |
| OP4 | P3 | sing | 1.61Å | 1.70Å | |
| OP7 | P3 | doub | 1.48Å | 1.50Å | |
| P3 | OP9 | sing | 1.61Å | 1.47Å | |
| P3 | OP8 | sing | 1.61Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| OP2 | H14 | sing | 0.97Å | 0.95Å | |
| OP6 | H15 | sing | 0.97Å | 0.95Å | |
| OP8 | H16 | sing | 0.97Å | 0.95Å | |
| OP9 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C3 | N2 | 119.4° | 120.2° |
| O5 | C3 | N4 | 120.0° | 120.2° |
| C3 | N2 | C1 | 119.6° | 120.4° |
| N2 | C3 | N4 | 120.6° | 119.6° |
| N2 | C1 | N1 | 119.7° | 119.7° |
| N2 | C1 | N9 | 120.2° | 120.7° |
| N1 | C1 | N9 | 120.1° | 119.7° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C3 | N4 | C5 | 130.6° | 132.6° |
| C3 | N4 | C7 | 119.5° | 119.4° |
| C1 | N9 | C7 | 120.2° | 120.2° |
| C5 | N4 | C7 | 109.9° | 107.9° |
| N4 | C5 | C6 | 105.4° | 108.2° |
| N4 | C5 | H3 | 127.3° | 125.9° |
| N4 | C7 | N9 | 119.8° | 119.8° |
| N4 | C7 | N7 | 108.9° | 107.6° |
| N9 | C7 | N7 | 131.3° | 132.7° |
| C5 | C6 | N7 | 107.6° | 108.4° |
| C6 | C5 | H3 | 127.3° | 125.9° |
| C5 | C6 | H4 | 126.2° | 125.8° |
| C7 | N7 | C6 | 108.2° | 107.9° |
| C7 | N7 | C1' | 125.2° | 126.0° |
| C6 | N7 | C1' | 126.6° | 126.1° |
| N7 | C6 | H4 | 126.2° | 125.8° |
| N7 | C1' | C2' | 106.4° | 110.5° |
| N7 | C1' | O4' | 109.2° | 110.4° |
| N7 | C1' | H5 | 112.4° | 110.4° |
| C1' | C2' | C3' | 103.3° | 104.1° |
| C1' | C2' | O2' | 111.1° | 110.5° |
| C2' | C1' | O4' | 105.0° | 104.8° |
| C2' | C1' | H5 | 109.4° | 110.3° |
| C1' | C2' | H6 | 108.0° | 110.5° |
| C3' | C2' | O2' | 111.9° | 110.5° |
| C2' | C3' | O3' | 113.2° | 110.5° |
| C2' | C3' | C4' | 101.5° | 104.1° |
| C3' | C2' | H6 | 112.6° | 110.5° |
| C2' | C3' | H7 | 111.7° | 110.5° |
| O2' | C2' | H6 | 109.7° | 110.6° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| C1' | O4' | C4' | 107.6° | 105.3° |
| O4' | C1' | H5 | 113.8° | 110.3° |
| O3' | C3' | C4' | 112.7° | 110.5° |
| O3' | C3' | H7 | 109.6° | 110.5° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| C3' | C4' | O4' | 101.4° | 104.8° |
| C3' | C4' | C5' | 112.7° | 110.4° |
| C4' | C3' | H7 | 107.8° | 110.6° |
| C3' | C4' | H9 | 109.0° | 110.3° |
| O4' | C4' | C5' | 112.4° | 110.4° |
| O4' | C4' | H9 | 109.6° | 110.4° |
| C4' | C5' | O5' | 107.9° | 109.4° |
| C5' | C4' | H9 | 111.2° | 110.4° |
| C4' | C5' | H10 | 109.8° | 109.5° |
| C4' | C5' | H11 | 109.8° | 109.5° |
| C5' | O5' | P1 | 121.6° | 123.0° |
| O5' | C5' | H10 | 109.9° | 109.5° |
| O5' | C5' | H11 | 109.9° | 109.5° |
| O5' | P1 | OP1 | 108.0° | 109.5° |
| O5' | P1 | OP3 | 110.5° | 109.5° |
| O5' | P1 | OP2 | 110.5° | 109.5° |
| OP5 | P2 | OP1 | 110.2° | 109.4° |
| OP5 | P2 | OP4 | 108.3° | 109.5° |
| OP5 | P2 | OP6 | 108.7° | 109.5° |
| P1 | OP1 | P2 | 128.1° | 134.0° |
| OP1 | P1 | OP3 | 108.9° | 109.5° |
| OP1 | P1 | OP2 | 111.3° | 109.5° |
| OP1 | P2 | OP4 | 108.0° | 109.4° |
| OP1 | P2 | OP6 | 110.8° | 109.5° |
| OP3 | P1 | OP2 | 107.6° | 109.5° |
| P1 | OP2 | H14 | 109.5° | 114.0° |
| OP4 | P2 | OP6 | 110.8° | 109.5° |
| P2 | OP4 | P3 | 127.0° | 134.0° |
| P2 | OP6 | H15 | 109.5° | 114.0° |
| OP4 | P3 | OP7 | 109.8° | 109.5° |
| OP4 | P3 | OP9 | 110.6° | 109.5° |
| OP4 | P3 | OP8 | 107.7° | 109.5° |
| OP7 | P3 | OP9 | 108.6° | 109.5° |
| OP7 | P3 | OP8 | 111.7° | 109.5° |
| OP9 | P3 | OP8 | 108.6° | 109.5° |
| P3 | OP9 | H17 | 109.5° | 114.0° |
| P3 | OP8 | H16 | 109.5° | 114.0° |
| H1 | N1 | H2 | 120.0° | 119.9° |
| H10 | C5' | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C3 | N2 | N4 | 179.9° | 180.0° |
| O5 | C3 | N2 | C1 | 179.9° | 180.0° |
| O5 | C3 | N4 | C5 | 0.2° | 0.0° |
| O5 | C3 | N4 | C7 | 179.8° | 179.9° |
| C3 | N2 | C1 | N1 | 179.9° | 179.9° |
| C3 | N2 | C1 | N9 | 0.1° | 0.1° |
| N2 | C3 | N4 | C5 | 179.9° | 180.0° |
| N2 | C3 | N4 | C7 | 0.3° | 0.0° |
| N2 | C1 | N1 | N9 | 179.8° | 179.8° |
| C1 | N2 | C3 | N4 | 0.2° | 0.0° |
| N2 | C1 | N9 | C7 | 0.1° | 0.2° |
| N2 | C1 | N1 | H1 | 0.0° | 179.8° |
| N2 | C1 | N1 | H2 | 180.0° | 0.5° |
| N1 | C1 | N9 | C7 | 179.9° | 180.0° |
| C1 | N1 | H1 | H2 | 180.0° | 179.7° |
| C3 | N4 | C5 | C7 | 179.6° | 179.9° |
| C3 | N4 | C7 | N9 | 0.3° | 0.1° |
| C3 | N4 | C5 | C6 | 179.8° | 179.9° |
| C3 | N4 | C7 | N7 | 179.6° | 179.7° |
| C3 | N4 | C5 | H3 | 0.2° | 0.3° |
| C1 | N9 | C7 | N4 | 0.2° | 0.2° |
| C1 | N9 | C7 | N7 | 179.6° | 179.7° |
| N9 | C1 | N1 | H1 | 179.8° | 0.0° |
| N9 | C1 | N1 | H2 | 0.2° | 179.7° |
| C5 | N4 | C7 | N9 | 179.9° | 179.9° |
| N4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C5 | N4 | C7 | N7 | 0.1° | 0.2° |
| N4 | C5 | C6 | N7 | 0.4° | 0.3° |
| N4 | C5 | C6 | H4 | 179.6° | 179.8° |
| N4 | C7 | N9 | N7 | 179.8° | 179.6° |
| C7 | N4 | C5 | C6 | 0.2° | 0.0° |
| N4 | C7 | N7 | C6 | 0.3° | 0.4° |
| N4 | C7 | N7 | C1' | 178.6° | 180.0° |
| C7 | N4 | C5 | H3 | 179.8° | 179.8° |
| N9 | C7 | N7 | C6 | 179.8° | 180.0° |
| N9 | C7 | N7 | C1' | 1.6° | 0.4° |
| C5 | C6 | N7 | C7 | 0.4° | 0.4° |
| C5 | C6 | N7 | H4 | 180.0° | 180.0° |
| C5 | C6 | N7 | C1' | 178.7° | 180.0° |
| C7 | N7 | C6 | C1' | 178.2° | 179.6° |
| C7 | N7 | C1' | C2' | 67.1° | 118.5° |
| C7 | N7 | C1' | O4' | 180.0° | 126.0° |
| C7 | N7 | C6 | H4 | 179.6° | 179.6° |
| C7 | N7 | C1' | H5 | 52.7° | 3.8° |
| C6 | N7 | C1' | C2' | 110.8° | 61.9° |
| C6 | N7 | C1' | O4' | 2.0° | 53.6° |
| N7 | C6 | C5 | H3 | 179.6° | 180.0° |
| C6 | N7 | C1' | H5 | 129.4° | 175.8° |
| N7 | C1' | C2' | O4' | 115.7° | 118.9° |
| N7 | C1' | C2' | H5 | 121.8° | 122.3° |
| N7 | C1' | C2' | C3' | 80.7° | 142.8° |
| N7 | C1' | C2' | O2' | 159.2° | 98.5° |
| N7 | C1' | O4' | H5 | 126.6° | 122.2° |
| N7 | C1' | O4' | C4' | 107.5° | 159.4° |
| C1' | N7 | C6 | H4 | 1.3° | 0.0° |
| N7 | C1' | C2' | H6 | 38.9° | 24.2° |
| C1' | C2' | C3' | O2' | 119.6° | 118.7° |
| C1' | C2' | C3' | H6 | 116.2° | 118.6° |
| C1' | C2' | O2' | H6 | 119.3° | 122.7° |
| C2' | C1' | O4' | H5 | 119.7° | 118.8° |
| C1' | C2' | C3' | O3' | 165.8° | 118.7° |
| C1' | C2' | C3' | C4' | 44.7° | 0.0° |
| C2' | C1' | O4' | C4' | 6.3° | 40.5° |
| C1' | C2' | C3' | H7 | 69.9° | 118.8° |
| C1' | C2' | O2' | H13 | 180.0° | 180.0° |
| C3' | C2' | O2' | H6 | 125.8° | 122.7° |
| C3' | C2' | C1' | O4' | 35.0° | 23.9° |
| C2' | C3' | O3' | C4' | 114.5° | 114.7° |
| C2' | C3' | O3' | H7 | 125.5° | 122.6° |
| C2' | C3' | C4' | H7 | 117.5° | 118.7° |
| C2' | C3' | C4' | O4' | 41.6° | 24.0° |
| C2' | C3' | C4' | C5' | 162.0° | 142.8° |
| C3' | C2' | C1' | H5 | 157.6° | 94.8° |
| C2' | C3' | O3' | H8 | 180.0° | 61.5° |
| C2' | C3' | C4' | H9 | 74.0° | 94.9° |
| C3' | C2' | O2' | H13 | 65.1° | 65.3° |
| O2' | C2' | C1' | O4' | 85.1° | 142.6° |
| O2' | C2' | C3' | O3' | 46.1° | 0.0° |
| O2' | C2' | C3' | C4' | 74.9° | 118.6° |
| O2' | C2' | C1' | H5 | 37.4° | 23.8° |
| O2' | C2' | C3' | H7 | 170.4° | 122.6° |
| C1' | O4' | C4' | C3' | 18.5° | 40.5° |
| C1' | O4' | C4' | C5' | 139.1° | 159.3° |
| O4' | C1' | C2' | H6 | 154.6° | 94.7° |
| C1' | O4' | C4' | H9 | 96.7° | 78.4° |
| O3' | C3' | C4' | H7 | 121.0° | 122.6° |
| O3' | C3' | C4' | O4' | 163.0° | 142.6° |
| O3' | C3' | C4' | C5' | 76.6° | 98.5° |
| O3' | C3' | C2' | H6 | 78.0° | 122.7° |
| O3' | C3' | C4' | H9 | 47.4° | 23.7° |
| C3' | C4' | O4' | C5' | 120.6° | 118.8° |
| C3' | C4' | O4' | H9 | 115.2° | 118.8° |
| C3' | C4' | C5' | H9 | 122.8° | 122.3° |
| C3' | C4' | C5' | O5' | 176.6° | 175.0° |
| C4' | C3' | C2' | H6 | 161.0° | 118.6° |
| C4' | C3' | O3' | H8 | 65.5° | 176.1° |
| C3' | C4' | C5' | H10 | 63.7° | 55.0° |
| C3' | C4' | C5' | H11 | 56.8° | 65.0° |
| O4' | C4' | C5' | H9 | 123.3° | 122.4° |
| O4' | C4' | C5' | O5' | 62.7° | 69.6° |
| C4' | O4' | C1' | H5 | 126.0° | 78.3° |
| O4' | C4' | C3' | H7 | 76.0° | 94.8° |
| O4' | C4' | C5' | H10 | 177.6° | 170.4° |
| O4' | C4' | C5' | H11 | 57.1° | 50.4° |
| C4' | C5' | O5' | H10 | 119.8° | 120.0° |
| C4' | C5' | O5' | H11 | 119.8° | 120.0° |
| C4' | C5' | O5' | P1 | 163.5° | 180.0° |
| C5' | C4' | C3' | H7 | 44.4° | 24.1° |
| C4' | C5' | H10 | H11 | 120.7° | 120.0° |
| C5' | O5' | P1 | OP1 | 8.7° | 175.0° |
| C5' | O5' | P1 | OP3 | 110.4° | 55.0° |
| C5' | O5' | P1 | OP2 | 130.6° | 65.0° |
| O5' | C5' | C4' | H9 | 60.7° | 52.7° |
| O5' | C5' | H10 | H11 | 120.7° | 120.0° |
| O5' | P1 | OP1 | OP3 | 120.1° | 120.0° |
| O5' | P1 | OP1 | OP2 | 121.4° | 120.0° |
| O5' | P1 | OP1 | P2 | 104.6° | 165.0° |
| O5' | P1 | OP3 | OP2 | 120.7° | 120.0° |
| P1 | O5' | C5' | H10 | 43.7° | 60.0° |
| P1 | O5' | C5' | H11 | 76.8° | 60.0° |
| O5' | P1 | OP2 | H14 | 120.7° | 60.0° |
| OP5 | P2 | OP1 | P1 | 124.1° | 45.0° |
| OP5 | P2 | OP1 | OP4 | 118.1° | 120.0° |
| OP5 | P2 | OP1 | OP6 | 120.4° | 120.0° |
| OP5 | P2 | OP4 | OP6 | 119.1° | 120.0° |
| OP5 | P2 | OP4 | P3 | 170.3° | 40.1° |
| OP5 | P2 | OP6 | H15 | 0.0° | 180.0° |
| OP1 | P1 | OP3 | OP2 | 120.8° | 120.0° |
| P1 | OP1 | P2 | OP4 | 117.8° | 165.0° |
| P1 | OP1 | P2 | OP6 | 3.7° | 74.9° |
| OP1 | P1 | OP2 | H14 | 119.3° | 60.0° |
| P2 | OP1 | P1 | OP3 | 135.4° | 44.9° |
| P2 | OP1 | P1 | OP2 | 16.9° | 75.1° |
| OP1 | P2 | OP4 | OP6 | 121.5° | 120.0° |
| OP1 | P2 | OP4 | P3 | 70.4° | 160.0° |
| OP1 | P2 | OP6 | H15 | 121.3° | 60.0° |
| OP3 | P1 | OP2 | H14 | 0.0° | 180.0° |
| P2 | OP4 | P3 | OP7 | 109.8° | 45.1° |
| P2 | OP4 | P3 | OP9 | 9.9° | 74.9° |
| P2 | OP4 | P3 | OP8 | 128.4° | 165.1° |
| OP4 | P2 | OP6 | H15 | 118.9° | 60.0° |
| OP6 | P2 | OP4 | P3 | 51.2° | 79.9° |
| OP4 | P3 | OP7 | OP9 | 121.0° | 120.0° |
| OP4 | P3 | OP7 | OP8 | 119.3° | 120.0° |
| OP4 | P3 | OP9 | OP8 | 117.9° | 120.0° |
| OP4 | P3 | OP8 | H16 | 120.6° | 180.0° |
| OP4 | P3 | OP9 | H17 | 120.5° | 60.0° |
| OP7 | P3 | OP9 | OP8 | 121.6° | 120.0° |
| OP7 | P3 | OP8 | H16 | 0.0° | 60.0° |
| OP7 | P3 | OP9 | H17 | 0.0° | 180.0° |
| OP9 | P3 | OP8 | H16 | 119.7° | 60.0° |
| OP8 | P3 | OP9 | H17 | 121.6° | 60.0° |
| H3 | C5 | C6 | H4 | 0.4° | 0.0° |
| H5 | C1' | C2' | H6 | 82.9° | 146.5° |
| H6 | C2' | C3' | H7 | 46.3° | 0.2° |
| H6 | C2' | O2' | H13 | 60.7° | 57.3° |
| H7 | C3' | O3' | H8 | 54.5° | 61.1° |
| H7 | C3' | C4' | H9 | 168.4° | 146.4° |
| H9 | C4' | C5' | H10 | 59.1° | 67.3° |
| H9 | C4' | C5' | H11 | 179.6° | 172.7° |
