NSS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAX | SBE | doub | 1.45Å | 1.43Å | |
| SBE | OAY | doub | 1.45Å | 1.43Å | |
| SBE | NAT | sing | 1.71Å | 1.59Å | |
| SBE | O5' | sing | 1.64Å | 1.64Å | |
| NAT | C | sing | 1.43Å | 1.33Å | |
| NAT | HAT | sing | 1.03Å | 1.00Å | |
| C | O | doub | 1.23Å | 1.21Å | |
| C | CA | sing | 1.52Å | 1.51Å | |
| CA | N | sing | 1.50Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.02Å | 1.00Å | |
| N | HN2 | sing | 1.02Å | 1.00Å | |
| N | HN3 | sing | 1.02Å | 1.00Å | |
| CB | CG | sing | 1.52Å | 1.52Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CG | OD1 | doub | 1.23Å | 1.23Å | |
| CG | ND2 | sing | 1.38Å | 1.34Å | |
| ND2 | HD21 | sing | 1.01Å | 1.00Å | |
| ND2 | HD22 | sing | 1.01Å | 1.00Å | |
| O5' | C5' | sing | 1.42Å | 1.44Å | |
| C5' | C4' | sing | 1.52Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.52Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.41Å | 1.45Å | |
| C2' | C1' | sing | 1.52Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | N9 | sing | 1.46Å | 1.51Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.46Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| N3 | C2 | doub | 1.35Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C2 | H3 | sing | 1.09Å | 1.08Å | |
| N1 | C6 | doub | 1.35Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.36Å | |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| N6 | HN61 | sing | 1.00Å | 1.00Å | |
| N6 | HN62 | sing | 1.00Å | 1.00Å | |
| C5 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.46Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAX | SBE | OAY | 116.7° | 120.2° |
| OAX | SBE | NAT | 112.3° | 108.3° |
| OAX | SBE | O5' | 107.6° | 108.2° |
| OAY | SBE | NAT | 108.1° | 107.5° |
| OAY | SBE | O5' | 108.0° | 108.0° |
| NAT | SBE | O5' | 103.2° | 103.3° |
| SBE | NAT | C | 128.1° | 124.4° |
| SBE | NAT | HAT | 116.0° | 117.7° |
| SBE | O5' | C5' | 115.0° | 119.0° |
| C | NAT | HAT | 115.9° | 117.8° |
| NAT | C | O | 124.2° | 123.3° |
| NAT | C | CA | 116.0° | 113.6° |
| O | C | CA | 119.8° | 123.1° |
| C | CA | N | 109.0° | 108.8° |
| C | CA | CB | 106.3° | 110.8° |
| C | CA | HA | 112.1° | 110.6° |
| N | CA | CB | 110.1° | 107.9° |
| N | CA | HA | 108.4° | 105.4° |
| CA | N | HN1 | 109.5° | 110.3° |
| CA | N | HN2 | 109.5° | 110.3° |
| CA | N | HN3 | 109.5° | 110.4° |
| CB | CA | HA | 111.0° | 113.0° |
| CA | CB | CG | 114.1° | 113.1° |
| CA | CB | HB1 | 106.9° | 110.4° |
| CA | CB | HB2 | 107.9° | 110.9° |
| HN1 | N | HN2 | 109.5° | 108.6° |
| HN1 | N | HN3 | 109.5° | 108.6° |
| HN2 | N | HN3 | 109.4° | 108.6° |
| CG | CB | HB1 | 106.8° | 106.2° |
| CG | CB | HB2 | 107.9° | 108.5° |
| CB | CG | OD1 | 122.7° | 124.2° |
| CB | CG | ND2 | 115.3° | 112.2° |
| HB1 | CB | HB2 | 113.2° | 107.4° |
| OD1 | CG | ND2 | 122.0° | 123.5° |
| CG | ND2 | HD21 | 126.3° | 119.6° |
| CG | ND2 | HD22 | 107.4° | 121.0° |
| HD21 | ND2 | HD22 | 126.3° | 119.5° |
| O5' | C5' | C4' | 108.7° | 109.1° |
| O5' | C5' | H5'1 | 109.9° | 108.8° |
| O5' | C5' | H5'2 | 109.7° | 108.7° |
| C4' | C5' | H5'1 | 109.9° | 110.5° |
| C4' | C5' | H5'2 | 109.7° | 110.6° |
| C5' | C4' | C3' | 112.8° | 112.9° |
| C5' | C4' | O4' | 109.9° | 108.4° |
| C5' | C4' | H4' | 105.7° | 109.3° |
| H5'1 | C5' | H5'2 | 108.9° | 109.1° |
| C3' | C4' | O4' | 105.4° | 106.4° |
| C3' | C4' | H4' | 110.2° | 112.1° |
| C4' | C3' | O3' | 110.2° | 108.8° |
| C4' | C3' | C2' | 101.8° | 102.3° |
| C4' | C3' | H3' | 115.1° | 114.5° |
| O4' | C4' | H4' | 113.0° | 107.6° |
| C4' | O4' | C1' | 108.6° | 108.8° |
| O3' | C3' | C2' | 112.9° | 109.5° |
| O3' | C3' | H3' | 104.5° | 107.7° |
| C3' | O3' | H2 | 109.5° | 106.4° |
| C2' | C3' | H3' | 112.5° | 113.8° |
| C3' | C2' | O2' | 109.6° | 113.1° |
| C3' | C2' | C1' | 102.6° | 101.5° |
| C3' | C2' | H2' | 112.6° | 110.3° |
| O2' | C2' | C1' | 105.7° | 111.9° |
| O2' | C2' | H2' | 109.8° | 108.9° |
| C2' | O2' | H1 | 109.5° | 107.3° |
| C1' | C2' | H2' | 116.1° | 111.1° |
| C2' | C1' | O4' | 108.1° | 106.1° |
| C2' | C1' | N9 | 114.3° | 114.0° |
| C2' | C1' | H1' | 108.1° | 112.6° |
| O4' | C1' | N9 | 112.0° | 109.7° |
| O4' | C1' | H1' | 110.4° | 108.9° |
| N9 | C1' | H1' | 103.8° | 105.3° |
| C1' | N9 | C4 | 126.6° | 126.9° |
| C1' | N9 | C8 | 119.1° | 126.1° |
| C4 | N9 | C8 | 114.3° | 107.0° |
| N9 | C4 | N3 | 133.4° | 127.5° |
| N9 | C4 | C5 | 105.6° | 105.2° |
| N9 | C8 | N7 | 100.5° | 112.2° |
| N9 | C8 | H8 | 129.7° | 122.2° |
| N3 | C4 | C5 | 121.1° | 127.3° |
| C4 | N3 | C2 | 119.6° | 110.4° |
| C4 | C5 | C6 | 117.5° | 116.9° |
| C4 | C5 | N7 | 110.6° | 110.7° |
| N3 | C2 | N1 | 121.2° | 128.8° |
| N3 | C2 | H3 | 119.4° | 115.6° |
| N1 | C2 | H3 | 119.4° | 115.5° |
| C2 | N1 | C6 | 121.8° | 117.5° |
| N1 | C6 | N6 | 119.1° | 120.2° |
| N1 | C6 | C5 | 118.9° | 119.0° |
| N6 | C6 | C5 | 122.0° | 120.7° |
| C6 | N6 | HN61 | 125.4° | 119.5° |
| C6 | N6 | HN62 | 109.2° | 119.4° |
| C6 | C5 | N7 | 131.8° | 132.4° |
| HN61 | N6 | HN62 | 125.4° | 120.8° |
| C5 | N7 | C8 | 109.0° | 104.9° |
| N7 | C8 | H8 | 129.8° | 125.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAX | SBE | OAY | NAT | 127.7° | 124.4° |
| OAX | SBE | OAY | O5' | 121.3° | 124.7° |
| OAX | SBE | NAT | O5' | 115.6° | 114.6° |
| OAX | SBE | NAT | C | 56.1° | 24.6° |
| OAX | SBE | NAT | HAT | 123.9° | 155.4° |
| OAX | SBE | O5' | C5' | 178.7° | 65.4° |
| OAY | SBE | NAT | O5' | 114.2° | 114.1° |
| OAY | SBE | NAT | C | 173.7° | 155.9° |
| OAY | SBE | NAT | HAT | 6.3° | 24.1° |
| OAY | SBE | O5' | C5' | 54.5° | 66.3° |
| SBE | NAT | C | HAT | 180.0° | 180.0° |
| SBE | NAT | C | O | 2.1° | 0.5° |
| SBE | NAT | C | CA | 175.8° | 180.0° |
| NAT | SBE | O5' | C5' | 59.8° | 180.0° |
| O5' | SBE | NAT | C | 59.5° | 90.0° |
| O5' | SBE | NAT | HAT | 120.5° | 90.0° |
| SBE | O5' | C5' | C4' | 130.5° | 180.0° |
| SBE | O5' | C5' | H5'1 | 109.2° | 59.4° |
| SBE | O5' | C5' | H5'2 | 10.5° | 59.3° |
| NAT | C | O | CA | 177.9° | 179.5° |
| NAT | C | CA | N | 153.7° | 114.8° |
| NAT | C | CA | CB | 87.7° | 126.7° |
| NAT | C | CA | HA | 33.8° | 0.5° |
| HAT | NAT | C | O | 177.9° | 179.5° |
| HAT | NAT | C | CA | 4.2° | 0.0° |
| O | C | CA | N | 28.2° | 64.7° |
| O | C | CA | CB | 90.4° | 53.8° |
| O | C | CA | HA | 148.2° | 180.0° |
| C | CA | N | CB | 116.2° | 120.3° |
| C | CA | N | HA | 122.3° | 118.7° |
| C | CA | CB | HA | 122.1° | 124.8° |
| C | CA | N | HN1 | 110.4° | 148.4° |
| C | CA | N | HN2 | 9.6° | 28.5° |
| C | CA | N | HN3 | 129.5° | 91.5° |
| C | CA | CB | CG | 179.1° | 64.8° |
| C | CA | CB | HB1 | 61.2° | 54.1° |
| C | CA | CB | HB2 | 60.9° | 173.0° |
| N | CA | CB | HA | 120.0° | 116.1° |
| CA | N | HN1 | HN2 | 120.0° | 121.0° |
| CA | N | HN1 | HN3 | 120.0° | 121.1° |
| CA | N | HN2 | HN3 | 120.0° | 121.1° |
| N | CA | CB | CG | 63.0° | 176.1° |
| N | CA | CB | HB1 | 179.1° | 65.0° |
| N | CA | CB | HB2 | 57.0° | 54.0° |
| CB | CA | N | HN1 | 5.7° | 28.1° |
| CB | CA | N | HN2 | 125.7° | 91.9° |
| CB | CA | N | HN3 | 114.3° | 148.1° |
| CA | CB | CG | HB1 | 117.9° | 121.3° |
| CA | CB | CG | HB2 | 120.0° | 123.4° |
| CA | CB | HB1 | HB2 | 118.7° | 121.0° |
| CA | CB | CG | OD1 | 62.6° | 2.1° |
| CA | CB | CG | ND2 | 117.3° | 178.7° |
| HA | CA | N | HN1 | 127.3° | 92.9° |
| HA | CA | N | HN2 | 112.7° | 147.1° |
| HA | CA | N | HN3 | 7.3° | 27.1° |
| HA | CA | CB | CG | 57.0° | 60.0° |
| HA | CA | CB | HB1 | 60.9° | 178.9° |
| HA | CA | CB | HB2 | 177.0° | 62.1° |
| HN1 | N | HN2 | HN3 | 120.0° | 117.9° |
| CG | CB | HB1 | HB2 | 118.7° | 116.0° |
| CB | CG | OD1 | ND2 | 179.9° | 179.1° |
| CB | CG | ND2 | HD21 | 0.0° | 0.3° |
| CB | CG | ND2 | HD22 | 180.0° | 179.7° |
| HB1 | CB | CG | OD1 | 55.3° | 119.2° |
| HB1 | CB | CG | ND2 | 124.8° | 60.0° |
| HB2 | CB | CG | OD1 | 177.4° | 125.5° |
| HB2 | CB | CG | ND2 | 2.7° | 55.3° |
| OD1 | CG | ND2 | HD21 | 179.9° | 179.5° |
| OD1 | CG | ND2 | HD22 | 0.1° | 0.5° |
| CG | ND2 | HD21 | HD22 | 180.0° | 179.9° |
| O5' | C5' | C4' | H5'1 | 120.3° | 119.6° |
| O5' | C5' | C4' | H5'2 | 120.0° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 120.2° | 118.5° |
| O5' | C5' | C4' | C3' | 64.8° | 179.5° |
| O5' | C5' | C4' | O4' | 52.6° | 61.9° |
| O5' | C5' | C4' | H4' | 174.8° | 55.0° |
| C4' | C5' | H5'1 | H5'2 | 120.2° | 121.8° |
| C5' | C4' | C3' | O4' | 119.9° | 118.8° |
| C5' | C4' | C3' | H4' | 117.8° | 123.9° |
| C5' | C4' | O4' | H4' | 117.8° | 118.0° |
| C5' | C4' | C3' | O3' | 85.5° | 154.1° |
| C5' | C4' | C3' | C2' | 154.5° | 90.2° |
| C5' | C4' | C3' | H3' | 32.4° | 33.5° |
| C5' | C4' | O4' | C1' | 142.0° | 114.3° |
| H5'1 | C5' | C4' | C3' | 174.9° | 60.0° |
| H5'1 | C5' | C4' | O4' | 67.7° | 57.7° |
| H5'1 | C5' | C4' | H4' | 54.5° | 174.6° |
| H5'2 | C5' | C4' | C3' | 55.2° | 60.9° |
| H5'2 | C5' | C4' | O4' | 172.5° | 178.6° |
| H5'2 | C5' | C4' | H4' | 65.2° | 64.5° |
| C3' | C4' | O4' | H4' | 120.4° | 120.3° |
| C4' | C3' | O3' | C2' | 113.1° | 111.1° |
| C4' | C3' | O3' | H3' | 124.2° | 124.6° |
| C4' | C3' | C2' | H3' | 123.8° | 124.1° |
| C4' | C3' | O3' | H2 | 91.8° | 142.7° |
| C4' | C3' | C2' | O2' | 77.3° | 157.4° |
| C4' | C3' | C2' | C1' | 34.7° | 37.4° |
| C4' | C3' | C2' | H2' | 160.2° | 80.4° |
| C3' | C4' | O4' | C1' | 20.2° | 7.4° |
| O4' | C4' | C3' | O3' | 154.6° | 87.2° |
| O4' | C4' | C3' | C2' | 34.5° | 28.6° |
| O4' | C4' | C3' | H3' | 87.6° | 152.3° |
| C4' | O4' | C1' | C2' | 2.4° | 16.9° |
| C4' | O4' | C1' | N9 | 124.4° | 140.6° |
| C4' | O4' | C1' | H1' | 120.4° | 104.6° |
| H4' | C4' | C3' | O3' | 32.3° | 30.1° |
| H4' | C4' | C3' | C2' | 87.7° | 145.9° |
| H4' | C4' | C3' | H3' | 150.2° | 90.4° |
| H4' | C4' | O4' | C1' | 100.2° | 127.7° |
| O3' | C3' | C2' | H3' | 118.0° | 120.6° |
| O3' | C3' | C2' | O2' | 40.8° | 42.1° |
| O3' | C3' | C2' | C1' | 152.8° | 77.9° |
| O3' | C3' | C2' | H2' | 81.6° | 164.3° |
| C2' | C3' | O3' | H2 | 21.3° | 106.3° |
| C3' | C2' | O2' | C1' | 109.9° | 113.8° |
| C3' | C2' | O2' | H2' | 124.2° | 123.0° |
| C3' | C2' | C1' | H2' | 123.2° | 117.3° |
| C3' | C2' | O2' | H1 | 178.3° | 58.3° |
| C3' | C2' | C1' | O4' | 24.1° | 34.2° |
| C3' | C2' | C1' | N9 | 101.4° | 155.2° |
| C3' | C2' | C1' | H1' | 143.7° | 84.9° |
| H3' | C3' | O3' | H2 | 143.9° | 18.0° |
| H3' | C3' | C2' | O2' | 158.9° | 78.5° |
| H3' | C3' | C2' | C1' | 89.2° | 161.5° |
| H3' | C3' | C2' | H2' | 36.4° | 43.7° |
| O2' | C2' | C1' | H2' | 121.9° | 121.9° |
| O2' | C2' | C1' | O4' | 90.7° | 155.0° |
| O2' | C2' | C1' | N9 | 143.8° | 84.0° |
| O2' | C2' | C1' | H1' | 28.8° | 35.9° |
| C1' | C2' | O2' | H1 | 68.4° | 55.6° |
| C2' | C1' | O4' | N9 | 126.8° | 123.7° |
| C2' | C1' | O4' | H1' | 118.0° | 121.5° |
| C2' | C1' | N9 | H1' | 117.4° | 124.0° |
| C2' | C1' | N9 | C4 | 104.8° | 94.0° |
| C2' | C1' | N9 | C8 | 76.9° | 86.0° |
| H2' | C2' | O2' | H1 | 57.5° | 178.7° |
| H2' | C2' | C1' | O4' | 147.4° | 83.0° |
| H2' | C2' | C1' | N9 | 21.9° | 37.9° |
| H2' | C2' | C1' | H1' | 93.1° | 157.8° |
| O4' | C1' | N9 | H1' | 119.2° | 117.1° |
| O4' | C1' | N9 | C4 | 131.8° | 147.1° |
| O4' | C1' | N9 | C8 | 46.5° | 32.9° |
| C1' | N9 | C4 | C8 | 178.4° | 179.9° |
| C1' | N9 | C4 | N3 | 0.8° | 0.0° |
| C1' | N9 | C4 | C5 | 179.5° | 179.9° |
| C1' | N9 | C8 | N7 | 178.9° | 180.0° |
| C1' | N9 | C8 | H8 | 1.1° | 0.1° |
| H1' | C1' | N9 | C4 | 12.7° | 29.9° |
| H1' | C1' | N9 | C8 | 165.7° | 150.0° |
| N9 | C4 | N3 | C5 | 179.6° | 180.0° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| N9 | C4 | C5 | C6 | 179.4° | 180.0° |
| N9 | C4 | C5 | N7 | 1.4° | 0.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | H8 | 179.6° | 180.0° |
| C8 | N9 | C4 | N3 | 179.3° | 180.0° |
| C8 | N9 | C4 | C5 | 1.1° | 0.0° |
| N9 | C8 | N7 | C5 | 0.5° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.3° | 0.0° |
| C4 | N3 | C2 | H3 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.9° | 0.0° |
| N3 | C4 | C5 | N7 | 178.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.6° | 0.0° |
| C4 | C5 | C6 | N1 | 0.9° | 0.0° |
| C4 | C5 | C6 | N6 | 178.3° | 180.0° |
| C4 | C5 | C6 | N7 | 177.5° | 179.9° |
| C4 | C5 | N7 | C8 | 1.2° | 0.0° |
| N3 | C2 | N1 | H3 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.0° |
| C2 | N1 | C6 | N6 | 178.6° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| H3 | C2 | N1 | C6 | 179.8° | 180.0° |
| N1 | C6 | N6 | C5 | 179.2° | 180.0° |
| N1 | C6 | N6 | HN61 | 179.6° | 84.9° |
| N1 | C6 | N6 | HN62 | 0.4° | 101.4° |
| N1 | C6 | C5 | N7 | 178.3° | 180.0° |
| C6 | N6 | HN61 | HN62 | 180.0° | 173.6° |
| N6 | C6 | C5 | N7 | 0.8° | 0.1° |
| C5 | C6 | N6 | HN61 | 0.4° | 95.2° |
| C5 | C6 | N6 | HN62 | 179.6° | 78.5° |
| C6 | C5 | N7 | C8 | 178.8° | 180.0° |
| C5 | N7 | C8 | H8 | 179.5° | 180.0° |
