U4G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C9 | doub | 1.30Å | 1.25Å | |
| N1 | C9 | sing | 1.37Å | 1.45Å | |
| N1 | C8 | sing | 1.47Å | 1.45Å | |
| C9 | N2 | sing | 1.38Å | 1.25Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C9 | N1 | 119.7° | 120.0° |
| N3 | C9 | N2 | 120.1° | 120.0° |
| C9 | N3 | H13 | 112.0° | 120.0° |
| C9 | N1 | C8 | 120.5° | 120.0° |
| N1 | C9 | N2 | 120.2° | 120.0° |
| C9 | N1 | H10 | 119.8° | 120.0° |
| N1 | C8 | C7 | 110.4° | 109.5° |
| N1 | C8 | H6 | 109.2° | 109.5° |
| N1 | C8 | H7 | 109.2° | 109.5° |
| C8 | N1 | H10 | 119.8° | 120.0° |
| C9 | N2 | H11 | 120.0° | 120.0° |
| C9 | N2 | H12 | 120.0° | 120.0° |
| C8 | C7 | C6 | 112.0° | 109.5° |
| C7 | C8 | H6 | 109.2° | 109.5° |
| C7 | C8 | H7 | 109.2° | 109.5° |
| C8 | C7 | H8 | 108.8° | 109.4° |
| C8 | C7 | H9 | 108.8° | 109.4° |
| C7 | C6 | C5 | 112.1° | 109.5° |
| C6 | C7 | H8 | 108.8° | 109.5° |
| C6 | C7 | H9 | 108.8° | 109.5° |
| C7 | C6 | H14 | 108.8° | 109.5° |
| C7 | C6 | H15 | 108.8° | 109.5° |
| C6 | C5 | C4 | 112.3° | 109.5° |
| C5 | C6 | H14 | 108.8° | 109.5° |
| C5 | C6 | H15 | 108.8° | 109.5° |
| C6 | C5 | H16 | 108.8° | 109.5° |
| C6 | C5 | H17 | 108.8° | 109.5° |
| C5 | C4 | C3 | 112.3° | 109.5° |
| C4 | C5 | H16 | 108.8° | 109.4° |
| C4 | C5 | H17 | 108.7° | 109.4° |
| C5 | C4 | H18 | 108.8° | 109.5° |
| C5 | C4 | H19 | 108.8° | 109.4° |
| C4 | C3 | C2 | 112.1° | 109.5° |
| C3 | C4 | H18 | 108.8° | 109.5° |
| C3 | C4 | H19 | 108.8° | 109.4° |
| C4 | C3 | H20 | 108.8° | 109.5° |
| C4 | C3 | H21 | 108.8° | 109.5° |
| C3 | C2 | C1 | 112.5° | 109.5° |
| C3 | C2 | H1 | 108.7° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C2 | C3 | H20 | 108.8° | 109.5° |
| C2 | C3 | H21 | 108.8° | 109.5° |
| C1 | C2 | H1 | 108.7° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H11 | N2 | H12 | 120.1° | 120.0° |
| H14 | C6 | H15 | 109.5° | 109.4° |
| H16 | C5 | H17 | 109.4° | 109.5° |
| H18 | C4 | H19 | 109.5° | 109.5° |
| H20 | C3 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C9 | N1 | N2 | 179.9° | 179.9° |
| N3 | C9 | N1 | C8 | 180.0° | 180.0° |
| N3 | C9 | N1 | H10 | 0.0° | 0.0° |
| N3 | C9 | N2 | H11 | 179.9° | 180.0° |
| N3 | C9 | N2 | H12 | 0.1° | 0.0° |
| C9 | N1 | C8 | H10 | 180.0° | 180.0° |
| C9 | N1 | C8 | C7 | 119.8° | 180.0° |
| C9 | N1 | C8 | H6 | 120.1° | 60.0° |
| C9 | N1 | C8 | H7 | 0.4° | 60.0° |
| N1 | C9 | N2 | H11 | 0.0° | 0.0° |
| N1 | C9 | N2 | H12 | 180.0° | 180.0° |
| N1 | C9 | N3 | H13 | 179.9° | 180.0° |
| C8 | N1 | C9 | N2 | 0.0° | 0.0° |
| N1 | C8 | C7 | H6 | 120.1° | 120.0° |
| N1 | C8 | C7 | H7 | 120.1° | 120.0° |
| N1 | C8 | C7 | C6 | 152.4° | 180.0° |
| N1 | C8 | H6 | H7 | 119.6° | 120.0° |
| N1 | C8 | C7 | H8 | 87.2° | 60.0° |
| N1 | C8 | C7 | H9 | 32.0° | 59.9° |
| N2 | C9 | N1 | H10 | 179.9° | 180.0° |
| C9 | N2 | H11 | H12 | 180.0° | 180.0° |
| N2 | C9 | N3 | H13 | 0.0° | 0.1° |
| C8 | C7 | C6 | H8 | 120.4° | 120.0° |
| C8 | C7 | C6 | H9 | 120.4° | 120.0° |
| C8 | C7 | C6 | C5 | 169.6° | 180.0° |
| C7 | C8 | H6 | H7 | 119.6° | 120.0° |
| C8 | C7 | H8 | H9 | 118.8° | 119.9° |
| C7 | C8 | N1 | H10 | 60.2° | 0.0° |
| C8 | C7 | C6 | H14 | 70.0° | 60.0° |
| C8 | C7 | C6 | H15 | 49.2° | 60.0° |
| C7 | C6 | C5 | H14 | 120.4° | 120.0° |
| C7 | C6 | C5 | H15 | 120.4° | 120.0° |
| C7 | C6 | C5 | C4 | 173.4° | 180.0° |
| C6 | C7 | C8 | H6 | 32.3° | 60.0° |
| C6 | C7 | C8 | H7 | 87.4° | 60.0° |
| C6 | C7 | H8 | H9 | 118.8° | 120.1° |
| C7 | C6 | H14 | H15 | 118.8° | 120.0° |
| C7 | C6 | C5 | H16 | 53.0° | 60.0° |
| C7 | C6 | C5 | H17 | 66.2° | 60.0° |
| C6 | C5 | C4 | H16 | 120.5° | 120.0° |
| C6 | C5 | C4 | H17 | 120.5° | 120.0° |
| C6 | C5 | C4 | C3 | 176.5° | 180.0° |
| C5 | C6 | C7 | H8 | 49.3° | 60.0° |
| C5 | C6 | C7 | H9 | 70.0° | 60.0° |
| C5 | C6 | H14 | H15 | 118.8° | 120.0° |
| C6 | C5 | H16 | H17 | 118.7° | 120.1° |
| C6 | C5 | C4 | H18 | 63.1° | 60.0° |
| C6 | C5 | C4 | H19 | 56.1° | 60.1° |
| C5 | C4 | C3 | H18 | 120.4° | 120.0° |
| C5 | C4 | C3 | H19 | 120.4° | 119.9° |
| C5 | C4 | C3 | C2 | 173.2° | 180.0° |
| C4 | C5 | C6 | H14 | 66.2° | 59.9° |
| C4 | C5 | C6 | H15 | 53.0° | 60.0° |
| C4 | C5 | H16 | H17 | 118.7° | 119.9° |
| C5 | C4 | H18 | H19 | 118.7° | 120.0° |
| C5 | C4 | C3 | H20 | 66.4° | 60.0° |
| C5 | C4 | C3 | H21 | 52.8° | 59.9° |
| C4 | C3 | C2 | H20 | 120.4° | 120.0° |
| C4 | C3 | C2 | H21 | 120.4° | 120.0° |
| C4 | C3 | C2 | C1 | 175.8° | 180.0° |
| C4 | C3 | C2 | H1 | 55.4° | 60.0° |
| C4 | C3 | C2 | H2 | 63.7° | 60.0° |
| C3 | C4 | C5 | H16 | 56.1° | 60.0° |
| C3 | C4 | C5 | H17 | 63.0° | 60.0° |
| C3 | C4 | H18 | H19 | 118.7° | 120.0° |
| C4 | C3 | H20 | H21 | 118.8° | 120.0° |
| C3 | C2 | C1 | H1 | 120.4° | 120.0° |
| C3 | C2 | C1 | H2 | 120.5° | 120.0° |
| C3 | C2 | H1 | H2 | 118.7° | 120.0° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H4 | 60.0° | 60.0° |
| C3 | C2 | C1 | H5 | 60.0° | 180.0° |
| C2 | C3 | C4 | H18 | 52.8° | 60.0° |
| C2 | C3 | C4 | H19 | 66.4° | 60.0° |
| C2 | C3 | H20 | H21 | 118.8° | 120.0° |
| C1 | C2 | H1 | H2 | 118.6° | 120.0° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | H20 | 63.8° | 59.9° |
| C1 | C2 | C3 | H21 | 55.5° | 60.0° |
| H1 | C2 | C1 | H3 | 59.6° | 60.0° |
| H1 | C2 | C1 | H4 | 179.6° | 180.0° |
| H1 | C2 | C1 | H5 | 60.4° | 60.0° |
| H1 | C2 | C3 | H20 | 175.8° | 180.0° |
| H1 | C2 | C3 | H21 | 65.0° | 60.0° |
| H2 | C2 | C1 | H3 | 59.5° | 180.0° |
| H2 | C2 | C1 | H4 | 60.5° | 60.0° |
| H2 | C2 | C1 | H5 | 179.6° | 60.0° |
| H2 | C2 | C3 | H20 | 56.7° | 60.1° |
| H2 | C2 | C3 | H21 | 175.9° | 180.0° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
| H6 | C8 | C7 | H8 | 152.7° | 60.0° |
| H6 | C8 | C7 | H9 | 88.1° | 179.9° |
| H6 | C8 | N1 | H10 | 59.9° | 120.0° |
| H7 | C8 | C7 | H8 | 32.9° | 180.0° |
| H7 | C8 | C7 | H9 | 152.2° | 60.1° |
| H7 | C8 | N1 | H10 | 179.7° | 120.0° |
| H8 | C7 | C6 | H14 | 169.6° | 180.0° |
| H8 | C7 | C6 | H15 | 71.2° | 60.0° |
| H9 | C7 | C6 | H14 | 50.4° | 60.0° |
| H9 | C7 | C6 | H15 | 169.6° | 180.0° |
| H14 | C6 | C5 | H16 | 173.3° | 179.9° |
| H14 | C6 | C5 | H17 | 54.2° | 60.0° |
| H15 | C6 | C5 | H16 | 67.5° | 60.0° |
| H15 | C6 | C5 | H17 | 173.4° | 179.9° |
| H16 | C5 | C4 | H18 | 176.5° | 180.0° |
| H16 | C5 | C4 | H19 | 64.4° | 60.0° |
| H17 | C5 | C4 | H18 | 57.4° | 60.0° |
| H17 | C5 | C4 | H19 | 176.5° | 180.0° |
| H18 | C4 | C3 | H20 | 173.2° | 60.0° |
| H18 | C4 | C3 | H21 | 67.6° | 180.0° |
| H19 | C4 | C3 | H20 | 54.1° | 180.0° |
| H19 | C4 | C3 | H21 | 173.3° | 60.0° |
