A1C49
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.37Å | 1.45Å | |
| N6 | C1 | sing | 1.36Å | 1.46Å | |
| N6 | C5 | sing | 1.35Å | 1.47Å | |
| C1 | C2 | doub | 1.40Å | 1.51Å | |
| O7 | C7 | doub | 1.22Å | 1.16Å | |
| O5 | C5 | doub | 1.22Å | 1.14Å | |
| C5 | C4 | sing | 1.40Å | 1.50Å | |
| C2 | C7 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.41Å | 1.50Å | |
| C7 | N7 | sing | 1.35Å | 1.43Å | |
| C4 | C3 | doub | 1.36Å | 1.47Å | |
| C4 | C1' | sing | 1.51Å | 1.48Å | |
| C2' | C1' | sing | 1.54Å | 1.33Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | F2' | sing | 1.40Å | 1.42Å | |
| C1' | O4' | sing | 1.44Å | 1.64Å | |
| C3' | O3' | sing | 1.43Å | 1.32Å | |
| C3' | C4' | sing | 1.54Å | 1.58Å | |
| O4' | C4' | sing | 1.44Å | 1.30Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| OP5 | P2 | doub | 1.48Å | 1.51Å | |
| O5' | P1 | sing | 1.61Å | 1.65Å | |
| OP1 | P2 | sing | 1.61Å | 1.68Å | |
| OP1 | P1 | sing | 1.61Å | 1.68Å | |
| P2 | OP4 | sing | 1.61Å | 1.65Å | |
| P2 | OP6 | sing | 1.61Å | 1.51Å | |
| P1 | OP2 | doub | 1.48Å | 1.50Å | |
| P1 | OP3 | sing | 1.61Å | 1.50Å | |
| OP4 | P3 | sing | 1.61Å | 1.66Å | |
| OP9 | P3 | doub | 1.48Å | 1.50Å | |
| P3 | OP7 | sing | 1.61Å | 1.50Å | |
| P3 | OP8 | sing | 1.61Å | 1.51Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N7 | H1 | sing | 0.97Å | 1.00Å | |
| N7 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C1' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| OP3 | H11 | sing | 0.97Å | 0.95Å | |
| OP6 | H12 | sing | 0.97Å | 0.95Å | |
| OP7 | H13 | sing | 0.97Å | 0.95Å | |
| OP8 | H14 | sing | 0.97Å | 0.95Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N6 | 118.4° | 119.9° |
| N1 | C1 | C2 | 122.1° | 120.0° |
| C1 | N1 | H5 | 109.5° | 120.0° |
| C1 | N1 | H4 | 109.5° | 120.0° |
| C1 | N6 | C5 | 119.2° | 120.8° |
| N6 | C1 | C2 | 119.5° | 120.1° |
| C1 | N6 | H6 | 120.4° | 119.6° |
| N6 | C5 | O5 | 118.6° | 119.6° |
| N6 | C5 | C4 | 122.1° | 120.8° |
| C5 | N6 | H6 | 120.4° | 119.6° |
| C1 | C2 | C7 | 119.4° | 120.3° |
| C1 | C2 | C3 | 121.1° | 119.3° |
| O7 | C7 | C2 | 121.6° | 120.0° |
| O7 | C7 | N7 | 119.0° | 120.0° |
| O5 | C5 | C4 | 119.3° | 119.6° |
| C5 | C4 | C3 | 119.5° | 119.9° |
| C5 | C4 | C1' | 117.4° | 120.1° |
| C7 | C2 | C3 | 119.5° | 120.3° |
| C2 | C7 | N7 | 119.4° | 120.0° |
| C2 | C3 | C4 | 118.6° | 119.2° |
| C2 | C3 | H3 | 120.7° | 120.4° |
| C7 | N7 | H1 | 120.0° | 120.0° |
| C7 | N7 | H2 | 120.0° | 120.0° |
| C3 | C4 | C1' | 123.1° | 120.1° |
| C4 | C3 | H3 | 120.7° | 120.4° |
| C4 | C1' | C2' | 107.4° | 110.4° |
| C4 | C1' | O4' | 109.0° | 110.3° |
| C4 | C1' | H7 | 111.2° | 110.3° |
| C1' | C2' | C3' | 105.2° | 104.1° |
| C1' | C2' | F2' | 111.3° | 110.5° |
| C2' | C1' | O4' | 106.5° | 104.8° |
| C2' | C1' | H7 | 113.6° | 110.5° |
| C1' | C2' | H17 | 111.8° | 110.5° |
| C3' | C2' | F2' | 109.2° | 110.5° |
| C2' | C3' | O3' | 110.7° | 110.5° |
| C2' | C3' | C4' | 103.6° | 104.0° |
| C2' | C3' | H15 | 110.1° | 110.6° |
| C3' | C2' | H17 | 108.7° | 110.5° |
| F2' | C2' | H17 | 110.4° | 110.6° |
| C1' | O4' | C4' | 108.6° | 105.2° |
| O4' | C1' | H7 | 108.9° | 110.4° |
| O3' | C3' | C4' | 108.7° | 110.5° |
| O3' | C3' | H15 | 113.6° | 110.5° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| C3' | C4' | O4' | 106.5° | 104.8° |
| C3' | C4' | C5' | 108.1° | 110.4° |
| C3' | C4' | H8 | 109.4° | 110.5° |
| C4' | C3' | H15 | 109.6° | 110.5° |
| O4' | C4' | C5' | 108.6° | 110.4° |
| O4' | C4' | H8 | 113.8° | 110.4° |
| C4' | C5' | O5' | 106.2° | 109.5° |
| C5' | C4' | H8 | 110.3° | 110.3° |
| C4' | C5' | H9 | 110.3° | 109.5° |
| C4' | C5' | H10 | 110.3° | 109.4° |
| C5' | O5' | P1 | 112.8° | 123.0° |
| O5' | C5' | H9 | 110.3° | 109.5° |
| O5' | C5' | H10 | 110.3° | 109.5° |
| OP5 | P2 | OP1 | 106.6° | 109.5° |
| OP5 | P2 | OP4 | 115.3° | 109.5° |
| OP5 | P2 | OP6 | 107.0° | 109.5° |
| O5' | P1 | OP1 | 104.9° | 109.5° |
| O5' | P1 | OP2 | 106.8° | 109.5° |
| O5' | P1 | OP3 | 111.4° | 109.5° |
| P2 | OP1 | P1 | 129.7° | 134.0° |
| OP1 | P2 | OP4 | 106.6° | 109.4° |
| OP1 | P2 | OP6 | 114.6° | 109.5° |
| OP1 | P1 | OP2 | 111.0° | 109.5° |
| OP1 | P1 | OP3 | 111.5° | 109.5° |
| OP4 | P2 | OP6 | 106.9° | 109.5° |
| P2 | OP4 | P3 | 121.6° | 134.0° |
| P2 | OP6 | H12 | 109.5° | 114.0° |
| OP2 | P1 | OP3 | 111.0° | 109.5° |
| P1 | OP3 | H11 | 109.5° | 114.0° |
| OP4 | P3 | OP9 | 109.3° | 109.5° |
| OP4 | P3 | OP7 | 112.9° | 109.5° |
| OP4 | P3 | OP8 | 107.9° | 109.5° |
| OP9 | P3 | OP7 | 106.6° | 109.5° |
| OP9 | P3 | OP8 | 111.9° | 109.5° |
| OP7 | P3 | OP8 | 108.3° | 109.5° |
| P3 | OP7 | H13 | 109.5° | 114.0° |
| P3 | OP8 | H14 | 109.5° | 114.0° |
| H1 | N7 | H2 | 120.0° | 119.9° |
| H5 | N1 | H4 | 109.5° | 120.0° |
| H9 | C5' | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N6 | C2 | 180.0° | 179.7° |
| N1 | C1 | N6 | C5 | 179.7° | 179.7° |
| N1 | C1 | C2 | C7 | 0.0° | 0.0° |
| N1 | C1 | C2 | C3 | 179.5° | 180.0° |
| C1 | N1 | H5 | H4 | 120.0° | 179.9° |
| N1 | C1 | N6 | H6 | 0.3° | 0.3° |
| C1 | N6 | C5 | H6 | 180.0° | 179.5° |
| C1 | N6 | C5 | O5 | 179.4° | 179.8° |
| C1 | N6 | C5 | C4 | 0.2° | 0.6° |
| N6 | C1 | C2 | C7 | 180.0° | 179.7° |
| N6 | C1 | C2 | C3 | 0.4° | 0.3° |
| N6 | C1 | N1 | H5 | 180.0° | 174.7° |
| N6 | C1 | N1 | H4 | 60.0° | 5.3° |
| C5 | N6 | C1 | C2 | 0.3° | 0.6° |
| N6 | C5 | O5 | C4 | 179.3° | 179.7° |
| N6 | C5 | C4 | C3 | 0.4° | 0.3° |
| N6 | C5 | C4 | C1' | 179.1° | 179.7° |
| C1 | C2 | C7 | O7 | 0.0° | 5.9° |
| C1 | C2 | C7 | C3 | 179.6° | 180.0° |
| C1 | C2 | C7 | N7 | 179.5° | 174.1° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | N1 | H5 | 0.0° | 5.5° |
| C2 | C1 | N1 | H4 | 120.0° | 174.4° |
| C2 | C1 | N6 | H6 | 179.7° | 180.0° |
| O7 | C7 | C2 | N7 | 179.5° | 180.0° |
| O7 | C7 | C2 | C3 | 179.6° | 174.1° |
| O7 | C7 | N7 | H1 | 0.0° | 179.9° |
| O7 | C7 | N7 | H2 | 180.0° | 0.0° |
| O5 | C5 | C4 | C3 | 179.7° | 180.0° |
| O5 | C5 | C4 | C1' | 1.6° | 0.1° |
| O5 | C5 | N6 | H6 | 0.6° | 0.3° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C3 | C1' | 178.6° | 179.9° |
| C5 | C4 | C1' | C2' | 71.8° | 61.8° |
| C5 | C4 | C1' | O4' | 173.3° | 53.6° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C5 | C4 | C1' | H7 | 53.2° | 175.8° |
| C4 | C5 | N6 | H6 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 179.7° | 179.9° |
| C7 | C2 | C3 | H3 | 0.3° | 0.0° |
| C2 | C7 | N7 | H1 | 179.5° | 0.0° |
| C2 | C7 | N7 | H2 | 0.5° | 180.0° |
| C3 | C2 | C7 | N7 | 0.9° | 6.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C1' | 178.8° | 180.0° |
| C7 | N7 | H1 | H2 | 180.0° | 179.9° |
| C3 | C4 | C1' | C2' | 106.9° | 118.1° |
| C3 | C4 | C1' | O4' | 8.1° | 126.5° |
| C3 | C4 | C1' | H7 | 128.2° | 4.2° |
| C4 | C1' | C2' | O4' | 116.7° | 118.8° |
| C4 | C1' | C2' | H7 | 123.4° | 122.3° |
| C4 | C1' | C2' | C3' | 89.7° | 142.8° |
| C4 | C1' | C2' | F2' | 152.1° | 98.6° |
| C4 | C1' | O4' | H7 | 121.5° | 122.2° |
| C4 | C1' | O4' | C4' | 102.8° | 159.4° |
| C1' | C4 | C3 | H3 | 1.2° | 0.1° |
| C4 | C1' | C2' | H17 | 28.1° | 24.1° |
| C1' | C2' | C3' | F2' | 119.6° | 118.6° |
| C1' | C2' | C3' | H17 | 119.9° | 118.7° |
| C1' | C2' | F2' | H17 | 124.8° | 122.7° |
| C2' | C1' | O4' | H7 | 122.9° | 119.0° |
| C1' | C2' | C3' | O3' | 148.0° | 118.6° |
| C1' | C2' | C3' | C4' | 31.7° | 0.0° |
| C2' | C1' | O4' | C4' | 12.8° | 40.5° |
| C1' | C2' | C3' | H15 | 85.5° | 118.7° |
| C3' | C2' | F2' | H17 | 119.4° | 122.6° |
| C3' | C2' | C1' | O4' | 26.9° | 24.0° |
| C2' | C3' | O3' | C4' | 113.1° | 114.6° |
| C2' | C3' | O3' | H15 | 124.5° | 122.8° |
| C2' | C3' | C4' | H15 | 117.5° | 118.7° |
| C2' | C3' | C4' | O4' | 23.3° | 24.0° |
| C2' | C3' | C4' | C5' | 139.8° | 142.8° |
| C3' | C2' | C1' | H7 | 146.8° | 94.9° |
| C2' | C3' | C4' | H8 | 100.1° | 94.9° |
| C2' | C3' | O3' | H16 | 180.0° | 65.3° |
| F2' | C2' | C1' | O4' | 91.2° | 142.6° |
| F2' | C2' | C3' | O3' | 28.4° | 0.0° |
| F2' | C2' | C3' | C4' | 87.9° | 118.6° |
| F2' | C2' | C1' | H7 | 28.7° | 23.7° |
| F2' | C2' | C3' | H15 | 154.9° | 122.7° |
| C1' | O4' | C4' | C3' | 7.8° | 40.5° |
| C1' | O4' | C4' | C5' | 124.0° | 159.3° |
| C1' | O4' | C4' | H8 | 112.8° | 78.5° |
| O4' | C1' | C2' | H17 | 144.7° | 94.7° |
| O3' | C3' | C4' | H15 | 124.7° | 122.6° |
| O3' | C3' | C4' | O4' | 141.1° | 142.6° |
| O3' | C3' | C4' | C5' | 102.4° | 98.5° |
| O3' | C3' | C4' | H8 | 17.7° | 23.7° |
| O3' | C3' | C2' | H17 | 92.1° | 122.7° |
| C3' | C4' | O4' | C5' | 116.2° | 118.8° |
| C3' | C4' | O4' | H8 | 120.6° | 119.0° |
| C3' | C4' | C5' | H8 | 119.6° | 122.4° |
| C3' | C4' | C5' | O5' | 172.6° | 178.2° |
| C3' | C4' | C5' | H9 | 67.9° | 58.1° |
| C3' | C4' | C5' | H10 | 53.1° | 61.8° |
| C4' | C3' | O3' | H16 | 66.9° | 179.9° |
| C4' | C3' | C2' | H17 | 151.6° | 118.7° |
| O4' | C4' | C5' | H8 | 125.3° | 122.2° |
| O4' | C4' | C5' | O5' | 57.5° | 66.4° |
| C4' | O4' | C1' | H7 | 135.8° | 78.5° |
| O4' | C4' | C5' | H9 | 177.0° | 173.6° |
| O4' | C4' | C5' | H10 | 62.0° | 53.6° |
| O4' | C4' | C3' | H15 | 94.2° | 94.8° |
| C4' | C5' | O5' | H9 | 119.5° | 120.0° |
| C4' | C5' | O5' | H10 | 119.5° | 120.0° |
| C4' | C5' | O5' | P1 | 121.4° | 180.0° |
| C4' | C5' | H9 | H10 | 121.5° | 120.0° |
| C5' | C4' | C3' | H15 | 22.3° | 24.1° |
| C5' | O5' | P1 | OP1 | 6.4° | 175.0° |
| C5' | O5' | P1 | OP2 | 124.3° | 55.0° |
| C5' | O5' | P1 | OP3 | 114.4° | 65.0° |
| O5' | C5' | C4' | H8 | 67.8° | 55.8° |
| O5' | C5' | H9 | H10 | 121.5° | 120.0° |
| OP5 | P2 | OP1 | OP4 | 123.7° | 120.0° |
| OP5 | P2 | OP1 | OP6 | 118.2° | 120.0° |
| OP5 | P2 | OP1 | P1 | 149.8° | 45.0° |
| OP5 | P2 | OP4 | OP6 | 118.8° | 120.0° |
| OP5 | P2 | OP4 | P3 | 173.0° | 40.1° |
| OP5 | P2 | OP6 | H12 | 0.0° | 180.0° |
| O5' | P1 | OP1 | P2 | 133.1° | 165.0° |
| O5' | P1 | OP1 | OP2 | 115.0° | 120.0° |
| O5' | P1 | OP1 | OP3 | 120.8° | 120.0° |
| O5' | P1 | OP2 | OP3 | 121.6° | 120.0° |
| P1 | O5' | C5' | H9 | 1.9° | 60.0° |
| P1 | O5' | C5' | H10 | 119.1° | 60.0° |
| O5' | P1 | OP3 | H11 | 118.9° | 60.0° |
| OP1 | P2 | OP4 | OP6 | 123.1° | 120.0° |
| P2 | OP1 | P1 | OP2 | 111.9° | 45.0° |
| P2 | OP1 | P1 | OP3 | 12.4° | 75.0° |
| OP1 | P2 | OP4 | P3 | 54.8° | 160.0° |
| OP1 | P2 | OP6 | H12 | 118.0° | 60.0° |
| P1 | OP1 | P2 | OP4 | 86.5° | 165.0° |
| P1 | OP1 | P2 | OP6 | 31.6° | 75.0° |
| OP1 | P1 | OP2 | OP3 | 124.6° | 120.0° |
| OP1 | P1 | OP3 | H11 | 124.3° | 60.0° |
| P2 | OP4 | P3 | OP9 | 78.0° | 39.9° |
| P2 | OP4 | P3 | OP7 | 163.6° | 80.1° |
| P2 | OP4 | P3 | OP8 | 44.0° | 159.9° |
| OP4 | P2 | OP6 | H12 | 124.1° | 60.0° |
| OP6 | P2 | OP4 | P3 | 68.3° | 79.9° |
| OP2 | P1 | OP3 | H11 | 0.0° | 180.0° |
| OP4 | P3 | OP9 | OP7 | 122.4° | 120.0° |
| OP4 | P3 | OP9 | OP8 | 119.4° | 120.0° |
| OP4 | P3 | OP7 | OP8 | 119.4° | 120.0° |
| OP4 | P3 | OP7 | H13 | 120.1° | 60.0° |
| OP4 | P3 | OP8 | H14 | 120.3° | 180.0° |
| OP9 | P3 | OP7 | OP8 | 120.6° | 120.0° |
| OP9 | P3 | OP7 | H13 | 0.0° | 180.0° |
| OP9 | P3 | OP8 | H14 | 0.0° | 60.0° |
| OP7 | P3 | OP8 | H14 | 117.2° | 60.0° |
| OP8 | P3 | OP7 | H13 | 120.6° | 60.0° |
| H7 | C1' | C2' | H17 | 95.4° | 146.4° |
| H8 | C4' | C5' | H9 | 51.7° | 64.3° |
| H8 | C4' | C5' | H10 | 172.7° | 175.8° |
| H8 | C4' | C3' | H15 | 142.4° | 146.3° |
| H15 | C3' | O3' | H16 | 55.5° | 57.4° |
| H15 | C3' | C2' | H17 | 34.4° | 0.0° |
