6NR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| NN | CN | trip | 1.14Å | 1.14Å | |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| CN | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C5 | sing | 1.47Å | 1.43Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.46Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C1' | O4' | sing | 1.45Å | 1.41Å | |
| C3' | C4' | sing | 1.55Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | SD | sing | 1.81Å | 1.82Å | |
| SD | CG | sing | 1.81Å | 1.82Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| C | OXT | doub | 1.21Å | 1.21Å | |
| C | O | sing | 1.34Å | 1.29Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CG | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C3' | H14 | sing | 1.09Å | 1.10Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| C2' | H16 | sing | 1.09Å | 1.10Å | |
| O2' | H17 | sing | 0.97Å | 0.95Å | |
| C1' | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C1' | 111.0° | 110.5° |
| O2' | C2' | C3' | 112.2° | 110.6° |
| O2' | C2' | H16 | 111.9° | 110.6° |
| C2' | O2' | H17 | 109.5° | 114.0° |
| NN | CN | C7 | 177.6° | 180.0° |
| N6 | C6 | C5 | 123.2° | 120.8° |
| N6 | C6 | N1 | 118.1° | 120.9° |
| C6 | N6 | H20 | 109.5° | 120.0° |
| C6 | N6 | H21 | 109.5° | 119.9° |
| CN | C7 | C5 | 126.2° | 126.9° |
| CN | C7 | C8 | 126.6° | 126.8° |
| C5 | C7 | C8 | 107.0° | 106.3° |
| C7 | C5 | C6 | 137.4° | 135.1° |
| C7 | C5 | C4 | 106.1° | 106.1° |
| C7 | C8 | N9 | 110.0° | 109.6° |
| C7 | C8 | H1 | 125.0° | 125.2° |
| C5 | C6 | N1 | 118.5° | 118.3° |
| C6 | C5 | C4 | 116.4° | 118.8° |
| C6 | N1 | C2 | 118.5° | 121.0° |
| C1' | C2' | C3' | 100.8° | 104.1° |
| C2' | C1' | N9 | 115.7° | 110.3° |
| C2' | C1' | O4' | 104.1° | 104.9° |
| C1' | C2' | H16 | 110.4° | 110.5° |
| C2' | C1' | H18 | 108.3° | 110.4° |
| C2' | C3' | O3' | 110.9° | 110.6° |
| C2' | C3' | C4' | 103.5° | 104.0° |
| C2' | C3' | H14 | 109.9° | 110.5° |
| C3' | C2' | H16 | 110.0° | 110.4° |
| C5 | C4 | N9 | 108.5° | 107.5° |
| C5 | C4 | N3 | 125.6° | 118.5° |
| C8 | N9 | C4 | 108.3° | 110.5° |
| C8 | N9 | C1' | 125.6° | 124.7° |
| N9 | C8 | H1 | 125.0° | 125.2° |
| N1 | C2 | N3 | 128.9° | 122.6° |
| N1 | C2 | H19 | 115.5° | 118.7° |
| N9 | C4 | N3 | 125.9° | 134.0° |
| C4 | N9 | C1' | 126.1° | 124.7° |
| C4 | N3 | C2 | 112.1° | 120.7° |
| N9 | C1' | O4' | 109.7° | 110.4° |
| N9 | C1' | H18 | 109.1° | 110.4° |
| N3 | C2 | H19 | 115.6° | 118.7° |
| O3' | C3' | C4' | 110.6° | 110.5° |
| O3' | C3' | H14 | 111.6° | 110.5° |
| C3' | O3' | H15 | 109.5° | 114.0° |
| C1' | O4' | C4' | 106.9° | 105.2° |
| O4' | C1' | H18 | 109.8° | 110.3° |
| C3' | C4' | O4' | 106.1° | 104.9° |
| C3' | C4' | C5' | 116.7° | 110.3° |
| C3' | C4' | H13 | 107.9° | 110.4° |
| C4' | C3' | H14 | 110.0° | 110.5° |
| O4' | C4' | C5' | 108.6° | 110.4° |
| O4' | C4' | H13 | 109.1° | 110.4° |
| C4' | C5' | SD | 107.6° | 109.5° |
| C4' | C5' | H11 | 109.9° | 109.5° |
| C4' | C5' | H12 | 109.9° | 109.5° |
| C5' | C4' | H13 | 108.2° | 110.3° |
| C5' | SD | CG | 104.2° | 103.0° |
| SD | C5' | H11 | 109.9° | 109.5° |
| SD | C5' | H12 | 109.9° | 109.5° |
| SD | CG | CB | 110.8° | 109.5° |
| SD | CG | H9 | 109.1° | 109.5° |
| SD | CG | H10 | 109.1° | 109.4° |
| CG | CB | CA | 114.3° | 109.5° |
| CG | CB | H7 | 108.2° | 109.5° |
| CG | CB | H8 | 108.3° | 109.5° |
| CB | CG | H9 | 109.1° | 109.5° |
| CB | CG | H10 | 109.1° | 109.5° |
| CB | CA | N | 111.2° | 109.4° |
| CB | CA | C | 110.8° | 109.5° |
| CB | CA | H3 | 107.8° | 109.5° |
| CA | CB | H7 | 108.2° | 109.5° |
| CA | CB | H8 | 108.2° | 109.5° |
| N | CA | C | 110.0° | 109.5° |
| N | CA | H3 | 108.9° | 109.5° |
| CA | N | H4 | 109.5° | 110.9° |
| CA | N | H5 | 109.5° | 111.0° |
| CA | C | OXT | 120.2° | 120.0° |
| CA | C | O | 115.5° | 120.0° |
| C | CA | H3 | 108.0° | 109.5° |
| OXT | C | O | 124.2° | 120.0° |
| C | O | H2 | 109.5° | 117.0° |
| H4 | N | H5 | 109.5° | 111.0° |
| H7 | CB | H8 | 109.5° | 109.5° |
| H9 | CG | H10 | 109.5° | 109.5° |
| H11 | C5' | H12 | 109.5° | 109.5° |
| H20 | N6 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C1' | C3' | 119.0° | 118.7° |
| O2' | C2' | C1' | H16 | 124.7° | 122.7° |
| O2' | C2' | C3' | H16 | 125.3° | 122.7° |
| O2' | C2' | C1' | N9 | 78.5° | 98.5° |
| O2' | C2' | C3' | O3' | 26.6° | 0.0° |
| O2' | C2' | C1' | O4' | 161.1° | 142.6° |
| O2' | C2' | C3' | C4' | 145.2° | 118.7° |
| O2' | C2' | C3' | H14 | 97.4° | 122.7° |
| O2' | C2' | C1' | H18 | 44.3° | 23.8° |
| NN | CN | C7 | C5 | 10.4° | 54.4° |
| NN | CN | C7 | C8 | 163.2° | 125.6° |
| N6 | C6 | C5 | C7 | 8.4° | 0.1° |
| N6 | C6 | C5 | N1 | 176.3° | 180.0° |
| N6 | C6 | C5 | C4 | 174.1° | 180.0° |
| N6 | C6 | N1 | C2 | 174.4° | 180.0° |
| C6 | N6 | H20 | H21 | 120.0° | 180.0° |
| CN | C7 | C5 | C8 | 174.6° | 180.0° |
| CN | C7 | C5 | C6 | 4.2° | 0.1° |
| CN | C7 | C5 | C4 | 173.4° | 179.9° |
| CN | C7 | C8 | N9 | 173.4° | 179.9° |
| CN | C7 | C8 | H1 | 6.6° | 0.1° |
| C7 | C5 | C6 | C4 | 177.4° | 179.9° |
| C7 | C5 | C6 | N1 | 175.3° | 179.9° |
| C5 | C7 | C8 | N9 | 1.1° | 0.1° |
| C7 | C5 | C4 | N9 | 0.8° | 0.0° |
| C7 | C5 | C4 | N3 | 177.8° | 179.8° |
| C5 | C7 | C8 | H1 | 178.9° | 180.0° |
| C8 | C7 | C5 | C6 | 178.8° | 180.0° |
| C8 | C7 | C5 | C4 | 1.2° | 0.1° |
| C7 | C8 | N9 | H1 | 180.0° | 179.9° |
| C7 | C8 | N9 | C4 | 0.6° | 0.0° |
| C7 | C8 | N9 | C1' | 178.9° | 179.7° |
| C5 | C6 | N1 | C2 | 2.1° | 0.0° |
| C6 | C5 | C4 | N9 | 179.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.4° | 0.1° |
| C5 | C6 | N6 | H20 | 176.3° | 0.0° |
| C5 | C6 | N6 | H21 | 63.7° | 179.9° |
| N1 | C6 | C5 | C4 | 2.1° | 0.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.3° |
| C6 | N1 | C2 | H19 | 179.8° | 180.0° |
| N1 | C6 | N6 | H20 | 0.0° | 180.0° |
| N1 | C6 | N6 | H21 | 120.0° | 0.0° |
| C1' | C2' | C3' | H16 | 116.5° | 118.6° |
| C2' | C1' | N9 | C8 | 49.4° | 94.7° |
| C2' | C1' | N9 | C4 | 131.2° | 85.0° |
| C2' | C1' | N9 | O4' | 117.3° | 115.5° |
| C2' | C1' | N9 | H18 | 122.3° | 122.3° |
| C1' | C2' | C3' | O3' | 91.6° | 118.7° |
| C2' | C1' | O4' | H18 | 115.8° | 118.9° |
| C1' | C2' | C3' | C4' | 27.1° | 0.0° |
| C2' | C1' | O4' | C4' | 41.4° | 40.4° |
| C1' | C2' | C3' | H14 | 144.5° | 118.7° |
| C1' | C2' | O2' | H17 | 180.0° | 180.0° |
| C3' | C2' | C1' | N9 | 162.5° | 142.8° |
| C2' | C3' | O3' | C4' | 114.3° | 114.7° |
| C2' | C3' | O3' | H14 | 122.9° | 122.7° |
| C3' | C2' | C1' | O4' | 42.1° | 23.9° |
| C2' | C3' | C4' | H14 | 117.4° | 118.7° |
| C2' | C3' | C4' | O4' | 4.2° | 24.0° |
| C2' | C3' | C4' | C5' | 117.0° | 142.8° |
| C2' | C3' | C4' | H13 | 121.0° | 95.0° |
| C2' | C3' | O3' | H15 | 180.0° | 65.3° |
| C3' | C2' | O2' | H17 | 68.1° | 65.3° |
| C3' | C2' | C1' | H18 | 74.7° | 94.9° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | N3 | 178.5° | 179.8° |
| C5 | C4 | N9 | C1' | 179.7° | 179.8° |
| C5 | C4 | N3 | C2 | 1.3° | 0.4° |
| C8 | N9 | C4 | C1' | 179.5° | 179.8° |
| C8 | N9 | C4 | N3 | 178.4° | 179.8° |
| C8 | N9 | C1' | O4' | 68.0° | 20.7° |
| C8 | N9 | C1' | H18 | 171.7° | 143.0° |
| N1 | C2 | N3 | C4 | 1.4° | 0.5° |
| N1 | C2 | N3 | H19 | 180.0° | 179.7° |
| N9 | C4 | N3 | C2 | 177.1° | 179.8° |
| C4 | N9 | C1' | O4' | 111.5° | 159.5° |
| C4 | N9 | C8 | H1 | 179.4° | 179.9° |
| C4 | N9 | C1' | H18 | 8.8° | 37.3° |
| N3 | C4 | N9 | C1' | 1.1° | 0.0° |
| C4 | N3 | C2 | H19 | 178.6° | 179.8° |
| N9 | C1' | O4' | H18 | 119.9° | 122.3° |
| N9 | C1' | O4' | C4' | 165.7° | 159.2° |
| C1' | N9 | C8 | H1 | 1.1° | 0.1° |
| N9 | C1' | C2' | H16 | 46.3° | 24.2° |
| O3' | C3' | C4' | H14 | 123.8° | 122.6° |
| O3' | C3' | C4' | O4' | 114.7° | 142.7° |
| O3' | C3' | C4' | C5' | 124.2° | 98.4° |
| O3' | C3' | C4' | H13 | 2.2° | 23.8° |
| O3' | C3' | C2' | H16 | 151.9° | 122.7° |
| C1' | O4' | C4' | C3' | 22.9° | 40.4° |
| C1' | O4' | C4' | C5' | 149.1° | 159.3° |
| C1' | O4' | C4' | H13 | 93.1° | 78.5° |
| O4' | C1' | C2' | H16 | 74.1° | 94.6° |
| C3' | C4' | O4' | C5' | 126.2° | 118.8° |
| C3' | C4' | O4' | H13 | 116.0° | 118.9° |
| C3' | C4' | C5' | H13 | 121.8° | 122.2° |
| C3' | C4' | C5' | SD | 71.7° | 176.5° |
| C3' | C4' | C5' | H11 | 48.0° | 63.5° |
| C3' | C4' | C5' | H12 | 168.5° | 56.6° |
| C4' | C3' | O3' | H15 | 65.7° | 180.0° |
| C4' | C3' | C2' | H16 | 89.5° | 118.6° |
| O4' | C4' | C5' | H13 | 118.4° | 122.3° |
| O4' | C4' | C5' | SD | 168.4° | 68.0° |
| O4' | C4' | C5' | H11 | 71.9° | 52.0° |
| O4' | C4' | C5' | H12 | 48.7° | 172.0° |
| O4' | C4' | C3' | H14 | 121.6° | 94.7° |
| C4' | O4' | C1' | H18 | 74.4° | 78.4° |
| C4' | C5' | SD | H11 | 119.7° | 120.0° |
| C4' | C5' | SD | H12 | 119.7° | 120.0° |
| C4' | C5' | SD | CG | 92.4° | 180.0° |
| C4' | C5' | H11 | H12 | 120.9° | 120.0° |
| C5' | C4' | C3' | H14 | 0.4° | 24.1° |
| C5' | SD | CG | CB | 117.3° | 180.0° |
| C5' | SD | CG | H9 | 122.5° | 60.0° |
| C5' | SD | CG | H10 | 2.8° | 60.0° |
| SD | C5' | H11 | H12 | 120.8° | 120.0° |
| SD | C5' | C4' | H13 | 50.1° | 54.3° |
| SD | CG | CB | H9 | 120.2° | 120.0° |
| SD | CG | CB | H10 | 120.2° | 120.0° |
| SD | CG | CB | CA | 178.0° | 180.0° |
| SD | CG | CB | H7 | 61.3° | 60.0° |
| SD | CG | CB | H8 | 57.3° | 60.0° |
| SD | CG | H9 | H10 | 119.4° | 120.0° |
| CG | SD | C5' | H11 | 147.8° | 60.0° |
| CG | SD | C5' | H12 | 27.3° | 60.0° |
| CG | CB | CA | H7 | 120.7° | 120.0° |
| CG | CB | CA | H8 | 120.7° | 120.0° |
| CG | CB | CA | N | 61.3° | 65.0° |
| CG | CB | CA | C | 61.4° | 175.0° |
| CG | CB | CA | H3 | 179.4° | 55.0° |
| CG | CB | H7 | H8 | 117.8° | 120.0° |
| CB | CG | H9 | H10 | 119.4° | 120.0° |
| CB | CA | N | C | 123.2° | 120.0° |
| CB | CA | N | H3 | 118.7° | 120.0° |
| CB | CA | C | H3 | 117.9° | 120.0° |
| CB | CA | C | OXT | 87.9° | 100.0° |
| CB | CA | C | O | 92.0° | 80.0° |
| CB | CA | N | H4 | 180.0° | 176.1° |
| CB | CA | N | H5 | 60.0° | 60.0° |
| CA | CB | H7 | H8 | 117.8° | 120.0° |
| CA | CB | CG | H9 | 57.8° | 60.0° |
| CA | CB | CG | H10 | 61.8° | 60.1° |
| N | CA | C | H3 | 118.7° | 120.0° |
| N | CA | C | OXT | 148.7° | 20.0° |
| N | CA | C | O | 31.4° | 160.0° |
| CA | N | H4 | H5 | 120.0° | 123.9° |
| N | CA | CB | H7 | 59.4° | 55.0° |
| N | CA | CB | H8 | 178.0° | 175.0° |
| CA | C | OXT | O | 179.9° | 180.0° |
| CA | C | O | H2 | 180.0° | 180.0° |
| C | CA | N | H4 | 56.8° | 63.9° |
| C | CA | N | H5 | 63.2° | 59.9° |
| C | CA | CB | H7 | 177.9° | 65.0° |
| C | CA | CB | H8 | 59.3° | 55.0° |
| OXT | C | O | H2 | 0.0° | 0.1° |
| OXT | C | CA | H3 | 30.0° | 140.0° |
| O | C | CA | H3 | 150.1° | 40.0° |
| H3 | CA | N | H4 | 61.3° | 56.1° |
| H3 | CA | N | H5 | 178.7° | 180.0° |
| H3 | CA | CB | H7 | 59.9° | 175.0° |
| H3 | CA | CB | H8 | 58.7° | 65.0° |
| H7 | CB | CG | H9 | 178.5° | 180.0° |
| H7 | CB | CG | H10 | 58.9° | 59.9° |
| H8 | CB | CG | H9 | 62.9° | 60.0° |
| H8 | CB | CG | H10 | 177.4° | 179.9° |
| H11 | C5' | C4' | H13 | 169.8° | 174.3° |
| H12 | C5' | C4' | H13 | 69.6° | 65.7° |
| H13 | C4' | C3' | H14 | 121.6° | 146.4° |
| H14 | C3' | O3' | H15 | 57.1° | 57.4° |
| H14 | C3' | C2' | H16 | 27.9° | 0.0° |
| H16 | C2' | O2' | H17 | 56.1° | 57.3° |
| H16 | C2' | C1' | H18 | 169.0° | 146.6° |
