RDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.35Å | |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| N1 | C2 | sing | 1.36Å | 1.35Å | |
| N2 | C2 | sing | 1.37Å | 1.43Å | |
| N2 | C11 | sing | 1.47Å | 1.44Å | |
| C6 | C5 | sing | 1.41Å | 1.42Å | |
| O7 | C12 | sing | 1.34Å | 1.33Å | Aromatic |
| O7 | C10 | sing | 1.34Å | 1.32Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.35Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C12 | C7 | doub | 1.34Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.34Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.39Å | |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.41Å | 1.46Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.49Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.38Å | |
| OP1 | P | doub | 1.48Å | 1.51Å | |
| C2' | C3' | sing | 1.55Å | 1.46Å | |
| C4' | C5' | sing | 1.53Å | 1.48Å | |
| C4' | C3' | sing | 1.55Å | 1.49Å | |
| C5' | O5' | sing | 1.43Å | 1.37Å | |
| OP3 | P | sing | 1.61Å | 1.61Å | |
| C3' | O3' | sing | 1.43Å | 1.38Å | |
| P | O5' | sing | 1.61Å | 1.58Å | |
| P | OP2 | sing | 1.61Å | 1.55Å | |
| OP3 | H1 | sing | 0.97Å | 0.95Å | |
| OP2 | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C3' | H6 | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C2' | H9 | sing | 1.09Å | 1.10Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | N1 | 122.6° | 120.8° |
| O6 | C6 | C5 | 118.5° | 120.8° |
| C6 | N1 | C2 | 121.9° | 120.3° |
| N1 | C6 | C5 | 118.9° | 118.4° |
| C6 | N1 | H11 | 119.1° | 119.9° |
| N1 | C2 | N2 | 120.3° | 119.0° |
| N1 | C2 | N3 | 120.9° | 121.9° |
| C2 | N1 | H11 | 119.1° | 119.8° |
| C2 | N2 | C11 | 120.5° | 120.0° |
| N2 | C2 | N3 | 118.8° | 119.1° |
| C2 | N2 | H13 | 119.8° | 120.0° |
| N2 | C11 | C10 | 115.3° | 109.5° |
| C11 | N2 | H13 | 119.8° | 120.0° |
| N2 | C11 | H14 | 108.0° | 109.5° |
| N2 | C11 | H15 | 108.0° | 109.5° |
| C6 | C5 | C4 | 117.8° | 118.6° |
| C6 | C5 | N7 | 133.9° | 134.1° |
| C12 | O7 | C10 | 111.2° | 109.5° |
| O7 | C12 | C7 | 109.9° | 108.4° |
| O7 | C12 | H17 | 125.1° | 125.8° |
| O7 | C10 | C11 | 125.7° | 125.7° |
| O7 | C10 | C9 | 108.5° | 108.5° |
| C2 | N3 | C4 | 119.2° | 121.2° |
| C11 | C10 | C9 | 125.9° | 125.8° |
| C10 | C11 | H14 | 108.0° | 109.4° |
| C10 | C11 | H15 | 108.0° | 109.5° |
| C12 | C7 | C9 | 104.3° | 106.9° |
| C7 | C12 | H17 | 125.0° | 125.8° |
| C12 | C7 | H18 | 127.9° | 126.6° |
| C10 | C9 | C7 | 106.2° | 106.8° |
| C10 | C9 | H16 | 126.9° | 126.6° |
| C4 | C5 | N7 | 108.3° | 107.3° |
| C5 | C4 | N3 | 121.4° | 119.7° |
| C5 | C4 | N9 | 106.0° | 106.1° |
| C5 | N7 | C8 | 107.5° | 109.3° |
| N3 | C4 | N9 | 132.7° | 134.2° |
| C4 | N9 | C8 | 109.2° | 107.5° |
| C4 | N9 | C1' | 124.0° | 126.3° |
| C7 | C9 | H16 | 126.9° | 126.6° |
| C9 | C7 | H18 | 127.9° | 126.6° |
| N7 | C8 | N9 | 109.1° | 109.8° |
| N7 | C8 | H12 | 125.5° | 125.1° |
| C8 | N9 | C1' | 126.9° | 126.3° |
| N9 | C8 | H12 | 125.4° | 125.1° |
| N9 | C1' | O4' | 116.8° | 110.4° |
| N9 | C1' | C2' | 120.9° | 110.4° |
| N9 | C1' | H10 | 104.6° | 110.5° |
| O4' | C1' | C2' | 103.2° | 104.8° |
| C1' | O4' | C4' | 108.0° | 105.3° |
| O4' | C1' | H10 | 105.1° | 110.4° |
| C1' | C2' | C3' | 104.3° | 104.1° |
| C1' | C2' | H8 | 110.7° | 110.5° |
| C1' | C2' | H9 | 110.7° | 110.6° |
| C2' | C1' | H10 | 104.8° | 110.3° |
| O4' | C4' | C5' | 108.2° | 110.4° |
| O4' | C4' | C3' | 103.1° | 104.8° |
| O4' | C4' | H5 | 111.1° | 110.5° |
| OP1 | P | OP3 | 106.5° | 109.5° |
| OP1 | P | O5' | 115.2° | 109.5° |
| OP1 | P | OP2 | 110.1° | 109.5° |
| C2' | C3' | C4' | 103.1° | 104.0° |
| C2' | C3' | O3' | 110.1° | 110.5° |
| C2' | C3' | H6 | 110.7° | 110.6° |
| C3' | C2' | H8 | 110.8° | 110.5° |
| C3' | C2' | H9 | 110.7° | 110.5° |
| C5' | C4' | C3' | 115.3° | 110.3° |
| C4' | C5' | O5' | 116.5° | 109.5° |
| C4' | C5' | H3 | 107.7° | 109.5° |
| C4' | C5' | H4 | 107.7° | 109.5° |
| C5' | C4' | H5 | 109.5° | 110.4° |
| C4' | C3' | O3' | 110.6° | 110.5° |
| C3' | C4' | H5 | 109.4° | 110.3° |
| C4' | C3' | H6 | 110.2° | 110.5° |
| C5' | O5' | P | 123.6° | 123.0° |
| O5' | C5' | H3 | 107.7° | 109.5° |
| O5' | C5' | H4 | 107.7° | 109.4° |
| OP3 | P | O5' | 103.9° | 109.5° |
| OP3 | P | OP2 | 115.5° | 109.5° |
| P | OP3 | H1 | 109.5° | 114.0° |
| O3' | C3' | H6 | 111.9° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 113.9° |
| O5' | P | OP2 | 105.8° | 109.5° |
| P | OP2 | H2 | 109.5° | 114.0° |
| H3 | C5' | H4 | 109.4° | 109.5° |
| H8 | C2' | H9 | 109.5° | 110.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | N1 | C5 | 179.4° | 179.9° |
| O6 | C6 | N1 | C2 | 179.6° | 180.0° |
| O6 | C6 | C5 | C4 | 179.7° | 180.0° |
| O6 | C6 | C5 | N7 | 0.6° | 0.1° |
| O6 | C6 | N1 | H11 | 0.4° | 0.1° |
| C6 | N1 | C2 | H11 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| N1 | C2 | N2 | N3 | 179.4° | 180.0° |
| N1 | C2 | N2 | C11 | 171.2° | 180.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| N1 | C2 | N2 | H13 | 8.8° | 0.0° |
| C2 | N2 | C11 | H13 | 180.0° | 179.9° |
| C2 | N2 | C11 | C10 | 97.1° | 180.0° |
| N2 | C2 | N3 | C4 | 179.3° | 180.0° |
| C2 | N2 | C11 | H14 | 142.1° | 60.0° |
| C2 | N2 | C11 | H15 | 23.8° | 60.0° |
| N2 | C2 | N1 | H11 | 0.5° | 0.0° |
| N2 | C11 | C10 | O7 | 72.9° | 90.3° |
| C11 | N2 | C2 | N3 | 8.2° | 0.0° |
| N2 | C11 | C10 | H14 | 120.8° | 120.0° |
| N2 | C11 | C10 | H15 | 120.9° | 120.0° |
| N2 | C11 | C10 | C9 | 106.3° | 90.0° |
| N2 | C11 | H14 | H15 | 117.4° | 120.0° |
| C6 | C5 | C4 | N7 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C6 | C5 | C4 | N9 | 179.8° | 180.0° |
| C6 | C5 | N7 | C8 | 179.5° | 180.0° |
| C5 | C6 | N1 | H11 | 179.8° | 180.0° |
| C12 | O7 | C10 | C11 | 179.5° | 180.0° |
| O7 | C12 | C7 | H17 | 180.0° | 179.8° |
| C12 | O7 | C10 | C9 | 0.2° | 0.3° |
| O7 | C12 | C7 | C9 | 0.1° | 0.0° |
| O7 | C12 | C7 | H18 | 179.9° | 179.9° |
| O7 | C10 | C11 | C9 | 179.2° | 179.7° |
| C10 | O7 | C12 | C7 | 0.1° | 0.2° |
| O7 | C10 | C9 | C7 | 0.2° | 0.2° |
| O7 | C10 | C11 | H14 | 47.9° | 149.7° |
| O7 | C10 | C11 | H15 | 166.2° | 29.7° |
| O7 | C10 | C9 | H16 | 179.7° | 179.7° |
| C10 | O7 | C12 | H17 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| N3 | C2 | N2 | H13 | 171.8° | 180.0° |
| N3 | C2 | N1 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C7 | 179.6° | 180.0° |
| C10 | C11 | N2 | H13 | 82.9° | 0.1° |
| C10 | C11 | H14 | H15 | 117.3° | 120.0° |
| C11 | C10 | C9 | H16 | 0.4° | 0.0° |
| C12 | C7 | C9 | C10 | 0.2° | 0.1° |
| C12 | C7 | C9 | H18 | 180.0° | 179.9° |
| C12 | C7 | C9 | H16 | 179.8° | 179.8° |
| C10 | C9 | C7 | H16 | 180.0° | 180.0° |
| C9 | C10 | C11 | H14 | 132.9° | 30.0° |
| C9 | C10 | C11 | H15 | 14.6° | 150.0° |
| C10 | C9 | C7 | H18 | 179.8° | 179.8° |
| C5 | C4 | N3 | N9 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C1' | 179.4° | 179.7° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.0° | 0.0° |
| C5 | N7 | C8 | N9 | 0.4° | 0.0° |
| C5 | N7 | C8 | H12 | 179.7° | 179.7° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | N9 | C1' | 0.5° | 0.3° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | C1' | 179.2° | 179.7° |
| C4 | N9 | C1' | O4' | 93.4° | 156.1° |
| C4 | N9 | C1' | C2' | 139.8° | 88.5° |
| C4 | N9 | C1' | H10 | 22.2° | 33.8° |
| C4 | N9 | C8 | H12 | 179.7° | 179.8° |
| C9 | C7 | C12 | H17 | 180.0° | 179.8° |
| N7 | C8 | N9 | H12 | 180.0° | 179.8° |
| N7 | C8 | N9 | C1' | 179.5° | 179.7° |
| C8 | N9 | C1' | O4' | 85.7° | 23.5° |
| C8 | N9 | C1' | C2' | 41.2° | 91.9° |
| C8 | N9 | C1' | H10 | 158.7° | 145.8° |
| N9 | C1' | O4' | C2' | 135.1° | 118.8° |
| N9 | C1' | O4' | H10 | 115.3° | 122.4° |
| N9 | C1' | C2' | H10 | 117.4° | 122.4° |
| N9 | C1' | O4' | C4' | 119.3° | 159.3° |
| N9 | C1' | C2' | C3' | 144.4° | 142.8° |
| N9 | C1' | C2' | H8 | 96.4° | 24.1° |
| N9 | C1' | C2' | H9 | 25.3° | 98.5° |
| C1' | N9 | C8 | H12 | 0.5° | 0.1° |
| O4' | C1' | C2' | H10 | 109.8° | 118.8° |
| O4' | C1' | C2' | C3' | 11.6° | 24.0° |
| C1' | O4' | C4' | C5' | 86.2° | 159.3° |
| C1' | O4' | C4' | C3' | 36.4° | 40.5° |
| C1' | O4' | C4' | H5 | 153.6° | 78.4° |
| O4' | C1' | C2' | H8 | 130.8° | 94.7° |
| O4' | C1' | C2' | H9 | 107.5° | 142.7° |
| C2' | C1' | O4' | C4' | 15.8° | 40.5° |
| C1' | C2' | C3' | H8 | 119.2° | 118.7° |
| C1' | C2' | C3' | H9 | 119.2° | 118.8° |
| C1' | C2' | C3' | C4' | 32.8° | 0.0° |
| C1' | C2' | C3' | O3' | 85.2° | 118.6° |
| C1' | C2' | C3' | H6 | 150.6° | 118.7° |
| C1' | C2' | H8 | H9 | 122.4° | 122.8° |
| O4' | C4' | C3' | C2' | 43.5° | 24.0° |
| O4' | C4' | C5' | C3' | 114.9° | 115.4° |
| O4' | C4' | C5' | H5 | 121.2° | 122.4° |
| O4' | C4' | C3' | H5 | 118.3° | 119.0° |
| O4' | C4' | C5' | O5' | 133.0° | 69.7° |
| O4' | C4' | C3' | O3' | 74.1° | 142.6° |
| O4' | C4' | C5' | H3 | 11.9° | 50.4° |
| O4' | C4' | C5' | H4 | 106.0° | 170.4° |
| O4' | C4' | C3' | H6 | 161.7° | 94.8° |
| C4' | O4' | C1' | H10 | 125.4° | 78.3° |
| OP1 | P | O5' | C5' | 70.6° | 55.0° |
| OP1 | P | OP3 | O5' | 122.0° | 120.0° |
| OP1 | P | OP3 | OP2 | 122.6° | 120.0° |
| OP1 | P | O5' | OP2 | 121.9° | 120.0° |
| OP1 | P | OP3 | H1 | 0.0° | 60.0° |
| OP1 | P | OP2 | H2 | 0.0° | 180.0° |
| C2' | C3' | C4' | C5' | 74.2° | 142.8° |
| C2' | C3' | C4' | O3' | 117.6° | 118.6° |
| C2' | C3' | C4' | H6 | 118.2° | 118.8° |
| C2' | C3' | O3' | H6 | 123.5° | 122.8° |
| C2' | C3' | C4' | H5 | 161.8° | 95.0° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.4° |
| C3' | C2' | H8 | H9 | 122.4° | 122.5° |
| C3' | C2' | C1' | H10 | 98.1° | 94.8° |
| C5' | C4' | C3' | H5 | 124.0° | 122.2° |
| C4' | C5' | O5' | H3 | 121.0° | 120.1° |
| C4' | C5' | O5' | H4 | 121.0° | 120.0° |
| C5' | C4' | C3' | O3' | 168.1° | 98.6° |
| C4' | C5' | O5' | P | 153.5° | 180.0° |
| C4' | C5' | H3 | H4 | 116.8° | 120.1° |
| C5' | C4' | C3' | H6 | 43.9° | 24.0° |
| C3' | C4' | C5' | O5' | 18.1° | 175.0° |
| C4' | C3' | O3' | H6 | 123.3° | 122.6° |
| C3' | C4' | C5' | H3 | 102.9° | 65.0° |
| C3' | C4' | C5' | H4 | 139.2° | 55.0° |
| C4' | C3' | O3' | HO3' | 66.7° | 180.0° |
| C4' | C3' | C2' | H8 | 152.0° | 118.7° |
| C4' | C3' | C2' | H9 | 86.4° | 118.8° |
| C5' | O5' | P | OP3 | 45.4° | 175.0° |
| C5' | O5' | P | OP2 | 167.4° | 65.0° |
| O5' | C5' | H3 | H4 | 116.8° | 119.9° |
| O5' | C5' | C4' | H5 | 105.8° | 52.7° |
| OP3 | P | O5' | OP2 | 122.0° | 120.0° |
| OP3 | P | OP2 | H2 | 120.6° | 60.0° |
| O3' | C3' | C4' | H5 | 44.1° | 23.6° |
| O3' | C3' | C2' | H8 | 33.9° | 122.7° |
| O3' | C3' | C2' | H9 | 155.6° | 0.2° |
| O5' | P | OP3 | H1 | 122.0° | 180.0° |
| O5' | P | OP2 | H2 | 125.1° | 60.0° |
| P | O5' | C5' | H3 | 32.4° | 60.0° |
| P | O5' | C5' | H4 | 85.5° | 60.0° |
| OP2 | P | OP3 | H1 | 122.5° | 60.0° |
| H3 | C5' | C4' | H5 | 133.1° | 172.8° |
| H4 | C5' | C4' | H5 | 15.2° | 67.2° |
| H5 | C4' | C3' | H6 | 80.1° | 146.3° |
| H6 | C3' | O3' | HO3' | 56.6° | 57.4° |
| H6 | C3' | C2' | H8 | 90.2° | 0.1° |
| H6 | C3' | C2' | H9 | 31.4° | 122.5° |
| H8 | C2' | C1' | H10 | 21.1° | 146.5° |
| H9 | C2' | C1' | H10 | 142.7° | 23.9° |
| H13 | N2 | C11 | H14 | 37.9° | 120.0° |
| H13 | N2 | C11 | H15 | 156.2° | 119.9° |
| H16 | C9 | C7 | H18 | 0.2° | 0.3° |
| H17 | C12 | C7 | H18 | 0.0° | 0.3° |
