8NI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.49Å | |
| C4' | O4' | sing | 1.45Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.49Å | |
| O5' | P | sing | 1.61Å | 1.64Å | |
| P | OP2 | sing | 1.61Å | 1.65Å | |
| P | OP1 | doub | 1.48Å | 1.65Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| O8 | C8 | doub | 1.21Å | 1.19Å | |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| C1' | N9 | sing | 1.46Å | 1.42Å | |
| C8 | N7 | sing | 1.35Å | 1.45Å | |
| N7 | C5 | sing | 1.46Å | 1.46Å | |
| N9 | C4 | sing | 1.35Å | 1.46Å | |
| C5 | C4 | sing | 1.52Å | 1.37Å | |
| C5 | C6 | sing | 1.52Å | 1.36Å | |
| C4 | N3 | doub | 1.31Å | 1.32Å | |
| O6 | C6 | doub | 1.21Å | 1.18Å | |
| C6 | N1 | sing | 1.33Å | 1.32Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | |
| N1 | C2 | doub | 1.32Å | 1.35Å | |
| C2 | N2 | sing | 1.37Å | 1.45Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N7 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| N9 | H13 | sing | 0.97Å | 1.00Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| OP2 | H16 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4' | C5' | O5' | 109.6° | 109.5° |
| C5' | C4' | C3' | 110.6° | 110.6° |
| C5' | C4' | O4' | 110.1° | 110.7° |
| C5' | C4' | H10 | 109.2° | 110.6° |
| C4' | C5' | H11 | 109.4° | 109.5° |
| C4' | C5' | H12 | 109.5° | 109.5° |
| C5' | O5' | P | 117.9° | 123.0° |
| O5' | C5' | H11 | 109.4° | 109.5° |
| O5' | C5' | H12 | 109.4° | 109.4° |
| O3' | C3' | C4' | 106.4° | 110.9° |
| O3' | C3' | C2' | 108.6° | 110.9° |
| O3' | C3' | H9 | 112.3° | 110.8° |
| C3' | O3' | H14 | 109.5° | 113.9° |
| C3' | C4' | O4' | 106.9° | 103.6° |
| C4' | C3' | C2' | 106.7° | 102.1° |
| C4' | C3' | H9 | 111.2° | 110.9° |
| C3' | C4' | H10 | 109.5° | 110.6° |
| C4' | O4' | C1' | 108.9° | 106.9° |
| O4' | C4' | H10 | 110.6° | 110.5° |
| C3' | C2' | C1' | 101.5° | 104.2° |
| C3' | C2' | H7 | 111.4° | 110.5° |
| C3' | C2' | H8 | 111.4° | 110.6° |
| C2' | C3' | H9 | 111.3° | 110.9° |
| O5' | P | OP2 | 110.4° | 109.5° |
| O5' | P | OP1 | 110.9° | 109.5° |
| O5' | P | OP3 | 104.2° | 109.5° |
| OP2 | P | OP1 | 109.3° | 109.5° |
| P | OP2 | H16 | 109.5° | 114.0° |
| OP2 | P | OP3 | 109.0° | 109.5° |
| OP1 | P | OP3 | 112.9° | 109.4° |
| O4' | C1' | C2' | 107.4° | 107.4° |
| O4' | C1' | N9 | 109.6° | 109.9° |
| O4' | C1' | H6 | 109.9° | 109.9° |
| O8 | C8 | N7 | 119.8° | 120.0° |
| O8 | C8 | H5 | 120.1° | 120.0° |
| C2' | C1' | N9 | 110.7° | 109.9° |
| C2' | C1' | H6 | 109.0° | 109.8° |
| C1' | C2' | H7 | 111.4° | 110.5° |
| C1' | C2' | H8 | 111.4° | 110.5° |
| C1' | N9 | C4 | 123.7° | 120.0° |
| N9 | C1' | H6 | 110.2° | 109.9° |
| C1' | N9 | H13 | 118.2° | 120.0° |
| C8 | N7 | C5 | 121.2° | 120.0° |
| C8 | N7 | H4 | 119.4° | 120.0° |
| N7 | C8 | H5 | 120.1° | 119.9° |
| N7 | C5 | C4 | 123.9° | 108.2° |
| N7 | C5 | C6 | 117.0° | 108.1° |
| N7 | C5 | H1 | 90.1° | 107.9° |
| C5 | N7 | H4 | 119.4° | 120.0° |
| N9 | C4 | C5 | 124.6° | 121.3° |
| N9 | C4 | N3 | 116.0° | 121.3° |
| C4 | N9 | H13 | 118.1° | 120.0° |
| C4 | C5 | C6 | 119.2° | 116.0° |
| C5 | C4 | N3 | 119.4° | 117.5° |
| C4 | C5 | H1 | 90.1° | 108.2° |
| C5 | C6 | O6 | 120.1° | 121.4° |
| C5 | C6 | N1 | 120.5° | 117.1° |
| C6 | C5 | H1 | 90.1° | 108.2° |
| C4 | N3 | C2 | 120.9° | 122.3° |
| O6 | C6 | N1 | 119.5° | 121.5° |
| C6 | N1 | C2 | 120.5° | 122.0° |
| N3 | C2 | N1 | 119.6° | 125.2° |
| N3 | C2 | N2 | 120.5° | 117.4° |
| N1 | C2 | N2 | 119.9° | 117.4° |
| C2 | N2 | H2 | 120.0° | 119.9° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| H2 | N2 | H3 | 120.0° | 120.0° |
| H7 | C2' | H8 | 109.5° | 110.4° |
| H11 | C5' | H12 | 109.5° | 109.5° |
| P | OP3 | H15 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4' | C5' | O5' | H11 | 120.0° | 120.0° |
| C4' | C5' | O5' | H12 | 120.0° | 120.0° |
| C5' | C4' | C3' | O3' | 144.4° | 86.2° |
| C5' | C4' | C3' | O4' | 119.8° | 118.6° |
| C5' | C4' | C3' | H10 | 120.4° | 122.9° |
| C5' | C4' | O4' | H10 | 120.7° | 122.9° |
| C5' | C4' | C3' | C2' | 99.8° | 155.5° |
| C4' | C5' | O5' | P | 155.2° | 180.0° |
| C5' | C4' | O4' | C1' | 118.1° | 158.4° |
| C5' | C4' | C3' | H9 | 21.7° | 37.4° |
| C4' | C5' | H11 | H12 | 120.0° | 120.1° |
| O5' | C5' | C4' | C3' | 58.7° | 175.0° |
| O5' | C5' | C4' | O4' | 59.2° | 70.8° |
| C5' | O5' | P | OP2 | 57.9° | 65.0° |
| C5' | O5' | P | OP1 | 179.2° | 55.0° |
| O5' | C5' | C4' | H10 | 179.3° | 52.0° |
| O5' | C5' | H11 | H12 | 119.9° | 119.9° |
| C5' | O5' | P | OP3 | 59.1° | 175.0° |
| O3' | C3' | C4' | C2' | 115.8° | 118.2° |
| O3' | C3' | C4' | H9 | 122.7° | 123.6° |
| O3' | C3' | C4' | O4' | 95.8° | 155.1° |
| O3' | C3' | C2' | H9 | 124.2° | 123.6° |
| O3' | C3' | C2' | C1' | 85.8° | 139.1° |
| O3' | C3' | C2' | H7 | 155.5° | 20.4° |
| O3' | C3' | C2' | H8 | 32.9° | 102.2° |
| O3' | C3' | C4' | H10 | 24.1° | 36.7° |
| C3' | C4' | O4' | H10 | 119.2° | 118.5° |
| C4' | C3' | C2' | H9 | 121.5° | 118.1° |
| C3' | C4' | O4' | C1' | 2.0° | 39.8° |
| C4' | C3' | C2' | C1' | 28.5° | 20.9° |
| C4' | C3' | C2' | H7 | 90.2° | 97.9° |
| C4' | C3' | C2' | H8 | 147.2° | 139.6° |
| C3' | C4' | C5' | H11 | 178.7° | 55.0° |
| C3' | C4' | C5' | H12 | 61.3° | 65.1° |
| C4' | C3' | O3' | H14 | 180.0° | 174.2° |
| O4' | C4' | C3' | C2' | 20.0° | 36.9° |
| C4' | O4' | C1' | C2' | 16.4° | 26.3° |
| C4' | O4' | C1' | N9 | 136.8° | 145.8° |
| C4' | O4' | C1' | H6 | 102.0° | 93.2° |
| O4' | C4' | C3' | H9 | 141.5° | 81.3° |
| O4' | C4' | C5' | H11 | 60.8° | 169.2° |
| O4' | C4' | C5' | H12 | 179.2° | 49.2° |
| C3' | C2' | C1' | O4' | 27.6° | 1.9° |
| C3' | C2' | C1' | H7 | 118.7° | 118.7° |
| C3' | C2' | C1' | H8 | 118.7° | 118.8° |
| C3' | C2' | C1' | N9 | 147.3° | 121.5° |
| C3' | C2' | C1' | H6 | 91.4° | 117.5° |
| C3' | C2' | H7 | H8 | 123.7° | 122.6° |
| C2' | C3' | C4' | H10 | 139.8° | 81.5° |
| C2' | C3' | O3' | H14 | 65.5° | 61.5° |
| O5' | P | OP2 | OP1 | 122.2° | 120.0° |
| O5' | P | OP2 | OP3 | 114.0° | 120.0° |
| O5' | P | OP1 | OP3 | 116.5° | 120.0° |
| P | O5' | C5' | H11 | 35.2° | 60.0° |
| P | O5' | C5' | H12 | 84.7° | 60.0° |
| O5' | P | OP2 | H16 | 122.3° | 60.0° |
| O5' | P | OP3 | H15 | 120.4° | 180.0° |
| OP2 | P | OP1 | OP3 | 121.5° | 120.0° |
| OP2 | P | OP3 | H15 | 121.6° | 60.0° |
| OP1 | P | OP2 | H16 | 0.0° | 180.0° |
| OP1 | P | OP3 | H15 | 0.0° | 60.0° |
| O4' | C1' | C2' | N9 | 119.6° | 119.5° |
| O4' | C1' | C2' | H6 | 119.0° | 119.5° |
| O4' | C1' | N9 | H6 | 121.1° | 121.0° |
| O4' | C1' | N9 | C4 | 101.5° | 96.7° |
| O4' | C1' | C2' | H7 | 91.1° | 120.6° |
| O4' | C1' | C2' | H8 | 146.3° | 116.9° |
| C1' | O4' | C4' | H10 | 121.2° | 78.7° |
| O4' | C1' | N9 | H13 | 78.5° | 83.4° |
| O8 | C8 | N7 | H5 | 180.0° | 180.0° |
| O8 | C8 | N7 | C5 | 179.8° | 0.0° |
| O8 | C8 | N7 | H4 | 0.2° | 180.0° |
| C2' | C1' | N9 | H6 | 120.6° | 121.0° |
| C2' | C1' | N9 | C4 | 140.2° | 145.3° |
| C1' | C2' | H7 | H8 | 123.7° | 122.6° |
| C1' | C2' | C3' | H9 | 150.0° | 97.3° |
| C2' | C1' | N9 | H13 | 39.8° | 34.7° |
| C1' | N9 | C4 | H13 | 180.0° | 179.9° |
| C1' | N9 | C4 | C5 | 0.4° | 180.0° |
| C1' | N9 | C4 | N3 | 179.6° | 0.0° |
| N9 | C1' | C2' | H7 | 28.6° | 119.9° |
| N9 | C1' | C2' | H8 | 94.1° | 2.7° |
| C8 | N7 | C5 | H4 | 180.0° | 179.9° |
| C8 | N7 | C5 | C4 | 111.9° | 155.0° |
| C8 | N7 | C5 | C6 | 68.5° | 78.7° |
| C8 | N7 | C5 | H1 | 21.7° | 38.1° |
| N7 | C5 | C4 | N9 | 0.2° | 58.4° |
| N7 | C5 | C4 | C6 | 179.6° | 121.6° |
| N7 | C5 | C4 | H1 | 90.2° | 116.7° |
| N7 | C5 | C6 | H1 | 90.2° | 116.6° |
| N7 | C5 | C4 | N3 | 179.8° | 121.7° |
| N7 | C5 | C6 | O6 | 0.1° | 58.3° |
| N7 | C5 | C6 | N1 | 179.6° | 121.7° |
| C5 | N7 | C8 | H5 | 0.2° | 179.9° |
| N9 | C4 | C5 | N3 | 180.0° | 180.0° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| N9 | C4 | C5 | H1 | 90.0° | 58.3° |
| C4 | N9 | C1' | H6 | 19.6° | 24.3° |
| C4 | C5 | C6 | H1 | 90.2° | 121.7° |
| C4 | C5 | C6 | O6 | 179.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | N7 | H4 | 68.1° | 24.9° |
| C5 | C4 | N9 | H13 | 179.5° | 0.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C5 | C6 | O6 | N1 | 179.8° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C6 | C5 | N7 | H4 | 111.5° | 101.4° |
| C4 | N3 | C2 | N1 | 0.1° | 0.1° |
| C4 | N3 | C2 | N2 | 179.9° | 180.0° |
| N3 | C4 | C5 | H1 | 90.0° | 121.7° |
| N3 | C4 | N9 | H13 | 0.5° | 179.9° |
| O6 | C6 | N1 | C2 | 180.0° | 180.0° |
| O6 | C6 | C5 | H1 | 90.1° | 58.3° |
| C6 | N1 | C2 | N3 | 0.3° | 0.1° |
| C6 | N1 | C2 | N2 | 179.8° | 180.0° |
| N1 | C6 | C5 | H1 | 90.2° | 121.7° |
| N3 | C2 | N1 | N2 | 179.9° | 179.9° |
| N3 | C2 | N2 | H2 | 0.0° | 179.9° |
| N3 | C2 | N2 | H3 | 180.0° | 0.1° |
| N1 | C2 | N2 | H2 | 179.9° | 0.0° |
| N1 | C2 | N2 | H3 | 0.1° | 180.0° |
| C2 | N2 | H2 | H3 | 180.0° | 180.0° |
| H1 | C5 | N7 | H4 | 158.3° | 141.8° |
| H4 | N7 | C8 | H5 | 179.8° | 0.0° |
| H6 | C1' | C2' | H7 | 149.9° | 1.1° |
| H6 | C1' | C2' | H8 | 27.3° | 123.6° |
| H6 | C1' | N9 | H13 | 160.5° | 155.6° |
| H7 | C2' | C3' | H9 | 31.3° | 144.0° |
| H8 | C2' | C3' | H9 | 91.3° | 21.5° |
| H9 | C3' | C4' | H10 | 98.6° | 160.3° |
| H9 | C3' | O3' | H14 | 58.0° | 62.2° |
| H10 | C4' | C5' | H11 | 60.7° | 68.0° |
| H10 | C4' | C5' | H12 | 59.3° | 172.0° |
| H16 | OP2 | P | OP3 | 123.8° | 60.0° |
