6OO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C4 | sing | 1.38Å | 1.43Å | |
| N3 | C4 | doub | 1.33Å | 1.32Å | |
| N3 | C2 | sing | 1.33Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.38Å | |
| O2 | C2 | doub | 1.22Å | 1.19Å | |
| C2 | N1 | sing | 1.35Å | 1.32Å | |
| C5 | C6 | doub | 1.35Å | 1.42Å | |
| N1 | C6 | sing | 1.36Å | 1.31Å | |
| N1 | C1' | sing | 1.46Å | 1.41Å | |
| CM' | O2' | sing | 1.43Å | 1.42Å | |
| C1' | C2' | sing | 1.55Å | 1.63Å | |
| C1' | O4' | sing | 1.44Å | 1.29Å | |
| C2' | O2' | sing | 1.43Å | 1.46Å | |
| C2' | C3' | sing | 1.55Å | 1.22Å | |
| O4' | C4' | sing | 1.44Å | 1.49Å | |
| C3' | C4' | sing | 1.54Å | 1.59Å | |
| C3' | O3' | sing | 1.43Å | 1.50Å | |
| O5' | P | sing | 1.61Å | 1.52Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| OP2 | P | doub | 1.48Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.41Å | |
| P | SP1 | sing | 2.12Å | 1.93Å | |
| P | O1 | sing | 1.61Å | 1.58Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| SP1 | H3 | sing | 1.34Å | 1.30Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| O3' | H8 | sing | 0.97Å | 0.95Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| CM' | H11 | sing | 1.09Å | 1.10Å | |
| CM' | H12 | sing | 1.09Å | 1.10Å | |
| CM' | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| O1 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C4 | N3 | 119.6° | 120.1° |
| N4 | C4 | C5 | 120.6° | 120.2° |
| C4 | N4 | H14 | 120.0° | 120.0° |
| C4 | N4 | H15 | 120.0° | 120.0° |
| C4 | N3 | C2 | 121.0° | 120.6° |
| N3 | C4 | C5 | 119.8° | 119.7° |
| N3 | C2 | O2 | 116.8° | 119.4° |
| N3 | C2 | N1 | 121.2° | 121.1° |
| C4 | C5 | C6 | 117.4° | 119.0° |
| C4 | C5 | H1 | 121.3° | 120.5° |
| O2 | C2 | N1 | 122.0° | 119.5° |
| C2 | N1 | C6 | 121.4° | 120.3° |
| C2 | N1 | C1' | 121.6° | 119.8° |
| C5 | C6 | N1 | 119.2° | 119.3° |
| C6 | C5 | H1 | 121.3° | 120.5° |
| C5 | C6 | H2 | 120.4° | 120.4° |
| C6 | N1 | C1' | 117.0° | 119.9° |
| N1 | C6 | H2 | 120.4° | 120.3° |
| N1 | C1' | C2' | 101.3° | 110.7° |
| N1 | C1' | O4' | 114.8° | 110.7° |
| N1 | C1' | H10 | 111.2° | 110.6° |
| CM' | O2' | C2' | 111.2° | 114.0° |
| O2' | CM' | H11 | 109.5° | 109.5° |
| O2' | CM' | H12 | 109.5° | 109.5° |
| O2' | CM' | H13 | 109.4° | 109.4° |
| C2' | C1' | O4' | 107.0° | 103.5° |
| C1' | C2' | O2' | 111.2° | 110.9° |
| C1' | C2' | C3' | 107.4° | 102.1° |
| C1' | C2' | H9 | 103.4° | 110.9° |
| C2' | C1' | H10 | 108.3° | 110.6° |
| C1' | O4' | C4' | 108.5° | 107.0° |
| O4' | C1' | H10 | 113.3° | 110.6° |
| O2' | C2' | C3' | 120.6° | 110.9° |
| O2' | C2' | H9 | 104.9° | 110.8° |
| C2' | C3' | C4' | 105.6° | 104.2° |
| C2' | C3' | O3' | 115.5° | 110.5° |
| C2' | C3' | H7 | 109.6° | 110.6° |
| C3' | C2' | H9 | 108.0° | 110.9° |
| O4' | C4' | C3' | 104.0° | 107.4° |
| O4' | C4' | C5' | 112.9° | 109.9° |
| O4' | C4' | H6 | 108.6° | 109.9° |
| C4' | C3' | O3' | 114.9° | 110.5° |
| C3' | C4' | C5' | 114.0° | 109.9° |
| C3' | C4' | H6 | 107.4° | 109.9° |
| C4' | C3' | H7 | 104.9° | 110.5° |
| O3' | C3' | H7 | 105.8° | 110.4° |
| C3' | O3' | H8 | 109.5° | 114.0° |
| P | O5' | C5' | 114.0° | 123.0° |
| O5' | P | OP2 | 118.2° | 109.5° |
| O5' | P | SP1 | 102.9° | 109.5° |
| O5' | P | O1 | 103.9° | 109.5° |
| O5' | C5' | C4' | 114.5° | 109.5° |
| O5' | C5' | H4 | 108.2° | 109.5° |
| O5' | C5' | H5 | 108.2° | 109.5° |
| OP2 | P | SP1 | 118.7° | 109.5° |
| OP2 | P | O1 | 110.4° | 109.5° |
| C4' | C5' | H4 | 108.2° | 109.5° |
| C4' | C5' | H5 | 108.2° | 109.5° |
| C5' | C4' | H6 | 109.6° | 109.9° |
| SP1 | P | O1 | 100.3° | 109.5° |
| P | SP1 | H3 | 102.0° | 103.0° |
| P | O1 | H16 | 109.5° | 114.0° |
| H4 | C5' | H5 | 109.5° | 109.4° |
| H11 | CM' | H12 | 109.4° | 109.5° |
| H11 | CM' | H13 | 109.5° | 109.5° |
| H12 | CM' | H13 | 109.5° | 109.5° |
| H14 | N4 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C4 | N3 | C5 | 179.7° | 179.8° |
| N4 | C4 | N3 | C2 | 179.8° | 179.7° |
| N4 | C4 | C5 | C6 | 179.9° | 180.0° |
| N4 | C4 | C5 | H1 | 0.0° | 0.2° |
| C4 | N4 | H14 | H15 | 180.0° | 180.0° |
| C4 | N3 | C2 | O2 | 179.7° | 179.7° |
| C4 | N3 | C2 | N1 | 0.3° | 0.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.2° |
| N3 | C4 | C5 | H1 | 179.7° | 180.0° |
| N3 | C4 | N4 | H14 | 0.0° | 179.7° |
| N3 | C4 | N4 | H15 | 180.0° | 0.3° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C2 | O2 | N1 | 179.4° | 179.8° |
| N3 | C2 | N1 | C6 | 0.9° | 0.3° |
| N3 | C2 | N1 | C1' | 178.8° | 179.8° |
| C4 | C5 | C6 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | N1 | 0.9° | 0.5° |
| C4 | C5 | C6 | H2 | 179.1° | 180.0° |
| C5 | C4 | N4 | H14 | 179.7° | 0.0° |
| C5 | C4 | N4 | H15 | 0.3° | 180.0° |
| O2 | C2 | N1 | C6 | 179.7° | 180.0° |
| O2 | C2 | N1 | C1' | 1.8° | 0.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.5° |
| C2 | N1 | C6 | C1' | 178.1° | 180.0° |
| C2 | N1 | C1' | C2' | 107.6° | 65.0° |
| C2 | N1 | C1' | O4' | 137.5° | 49.1° |
| C2 | N1 | C6 | H2 | 178.8° | 180.0° |
| C2 | N1 | C1' | H10 | 7.2° | 172.0° |
| C5 | C6 | N1 | H2 | 180.0° | 179.5° |
| C5 | C6 | N1 | C1' | 179.2° | 179.5° |
| C6 | N1 | C1' | C2' | 70.4° | 115.0° |
| C6 | N1 | C1' | O4' | 44.4° | 130.9° |
| N1 | C6 | C5 | H1 | 179.2° | 179.7° |
| C6 | N1 | C1' | H10 | 174.7° | 8.0° |
| N1 | C1' | C2' | O4' | 120.5° | 118.6° |
| N1 | C1' | C2' | H10 | 117.0° | 123.0° |
| N1 | C1' | O4' | H10 | 129.2° | 123.0° |
| N1 | C1' | C2' | O2' | 130.1° | 86.2° |
| N1 | C1' | C2' | C3' | 96.0° | 155.5° |
| N1 | C1' | O4' | C4' | 104.2° | 158.5° |
| C1' | N1 | C6 | H2 | 0.8° | 0.0° |
| N1 | C1' | C2' | H9 | 18.0° | 37.4° |
| CM' | O2' | C2' | C1' | 85.8° | 155.8° |
| CM' | O2' | C2' | C3' | 147.3° | 91.5° |
| CM' | O2' | C2' | H9 | 25.3° | 32.2° |
| O2' | CM' | H11 | H12 | 120.0° | 120.0° |
| O2' | CM' | H11 | H13 | 120.0° | 120.0° |
| O2' | CM' | H12 | H13 | 120.0° | 119.9° |
| C2' | C1' | O4' | H10 | 119.3° | 118.4° |
| C1' | C2' | O2' | C3' | 126.9° | 112.7° |
| C1' | C2' | O2' | H9 | 111.2° | 123.6° |
| C1' | C2' | C3' | H9 | 110.9° | 118.1° |
| C2' | C1' | O4' | C4' | 7.4° | 39.9° |
| C1' | C2' | C3' | C4' | 27.5° | 20.8° |
| C1' | C2' | C3' | O3' | 155.6° | 97.9° |
| C1' | C2' | C3' | H7 | 85.1° | 139.6° |
| O4' | C1' | C2' | O2' | 109.3° | 155.2° |
| O4' | C1' | C2' | C3' | 24.5° | 36.9° |
| C1' | O4' | C4' | C3' | 7.3° | 26.4° |
| C1' | O4' | C4' | C5' | 131.4° | 146.0° |
| C1' | O4' | C4' | H6 | 106.8° | 93.0° |
| O4' | C1' | C2' | H9 | 138.6° | 81.2° |
| O2' | C2' | C3' | H9 | 120.4° | 123.6° |
| O2' | C2' | C3' | C4' | 101.2° | 139.1° |
| O2' | C2' | C3' | O3' | 26.9° | 20.4° |
| O2' | C2' | C3' | H7 | 146.3° | 102.2° |
| O2' | C2' | C1' | H10 | 13.1° | 36.8° |
| C2' | O2' | CM' | H11 | 180.0° | 60.0° |
| C2' | O2' | CM' | H12 | 60.0° | 60.0° |
| C2' | O2' | CM' | H13 | 60.0° | 180.0° |
| C2' | C3' | C4' | O4' | 23.7° | 2.0° |
| C2' | C3' | C4' | O3' | 128.5° | 118.7° |
| C2' | C3' | C4' | H7 | 115.7° | 118.8° |
| C2' | C3' | O3' | H7 | 121.4° | 122.7° |
| C2' | C3' | C4' | C5' | 147.1° | 121.5° |
| C2' | C3' | C4' | H6 | 91.3° | 117.5° |
| C2' | C3' | O3' | H8 | 180.0° | 176.2° |
| C3' | C2' | C1' | H10 | 147.0° | 81.5° |
| O4' | C4' | C3' | C5' | 123.4° | 119.5° |
| O4' | C4' | C3' | H6 | 115.0° | 119.5° |
| O4' | C4' | C3' | O3' | 152.2° | 120.6° |
| O4' | C4' | C5' | O5' | 29.0° | 66.7° |
| O4' | C4' | C5' | H6 | 121.2° | 121.0° |
| O4' | C4' | C5' | H4 | 149.8° | 53.3° |
| O4' | C4' | C5' | H5 | 91.7° | 173.3° |
| O4' | C4' | C3' | H7 | 92.0° | 116.9° |
| C4' | O4' | C1' | H10 | 126.6° | 78.6° |
| C4' | C3' | O3' | H7 | 115.2° | 122.6° |
| C3' | C4' | C5' | O5' | 89.3° | 175.3° |
| C3' | C4' | C5' | H6 | 120.4° | 121.0° |
| C3' | C4' | C5' | H4 | 31.4° | 64.7° |
| C3' | C4' | C5' | H5 | 150.0° | 55.3° |
| C4' | C3' | O3' | H8 | 56.7° | 61.4° |
| C4' | C3' | C2' | H9 | 138.4° | 97.3° |
| O3' | C3' | C4' | C5' | 84.4° | 119.8° |
| O3' | C3' | C4' | H6 | 37.2° | 1.2° |
| O3' | C3' | C2' | H9 | 93.6° | 144.0° |
| O5' | P | OP2 | SP1 | 125.7° | 120.0° |
| O5' | P | OP2 | O1 | 119.4° | 120.0° |
| P | O5' | C5' | C4' | 173.3° | 180.0° |
| O5' | P | SP1 | O1 | 107.0° | 120.0° |
| O5' | P | SP1 | H3 | 132.7° | 60.0° |
| P | O5' | C5' | H4 | 52.6° | 60.0° |
| P | O5' | C5' | H5 | 65.9° | 60.0° |
| O5' | P | O1 | H16 | 127.8° | 179.9° |
| C5' | O5' | P | OP2 | 101.5° | 55.0° |
| O5' | C5' | C4' | H4 | 120.7° | 120.0° |
| O5' | C5' | C4' | H5 | 120.7° | 120.0° |
| C5' | O5' | P | SP1 | 31.5° | 65.0° |
| C5' | O5' | P | O1 | 135.7° | 175.0° |
| O5' | C5' | H4 | H5 | 117.7° | 120.0° |
| O5' | C5' | C4' | H6 | 150.3° | 54.3° |
| OP2 | P | SP1 | O1 | 120.2° | 120.0° |
| OP2 | P | SP1 | H3 | 0.0° | 180.0° |
| OP2 | P | O1 | H16 | 0.0° | 59.9° |
| C4' | C5' | H4 | H5 | 117.7° | 120.0° |
| C5' | C4' | C3' | H7 | 31.4° | 2.7° |
| SP1 | P | O1 | H16 | 126.0° | 60.1° |
| O1 | P | SP1 | H3 | 120.2° | 60.0° |
| H1 | C5 | C6 | H2 | 0.9° | 0.2° |
| H4 | C5' | C4' | H6 | 89.0° | 174.3° |
| H5 | C5' | C4' | H6 | 29.5° | 65.7° |
| H6 | C4' | C3' | H7 | 153.0° | 123.7° |
| H7 | C3' | O3' | H8 | 58.6° | 61.2° |
| H7 | C3' | C2' | H9 | 25.8° | 21.4° |
| H9 | C2' | C1' | H10 | 99.0° | 160.4° |
| H11 | CM' | H12 | H13 | 120.0° | 120.1° |
