UY4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| O03 | C02 | sing | 1.34Å | 1.26Å | |
| C02 | C04 | sing | 1.51Å | 1.60Å | |
| C04 | N08 | sing | 1.47Å | 1.48Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C07 | C05 | sing | 1.53Å | 1.53Å | |
| O29 | C09 | doub | 1.22Å | 1.22Å | |
| O06 | C05 | sing | 1.43Å | 1.40Å | |
| N08 | C09 | sing | 1.35Å | 1.38Å | |
| C09 | N6 | sing | 1.35Å | 1.44Å | |
| N6 | C6 | sing | 1.39Å | 1.34Å | |
| N1 | C6 | doub | 1.33Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.46Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.54Å | 1.50Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| OP2 | P | doub | 1.48Å | 1.50Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | OP1 | sing | 1.61Å | 1.51Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C1' | 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 | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| N08 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| O03 | H16 | sing | 0.97Å | 0.95Å | |
| O06 | H17 | sing | 0.97Å | 0.95Å | |
| O2' | H18 | sing | 0.97Å | 0.95Å | |
| O3' | H19 | sing | 0.97Å | 0.95Å | |
| OP1 | H20 | sing | 0.97Å | 0.95Å | |
| OP3 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 119.6° | 120.0° |
| O01 | C02 | C04 | 119.3° | 120.0° |
| O03 | C02 | C04 | 121.2° | 120.0° |
| C02 | O03 | H16 | 109.5° | 117.0° |
| C02 | C04 | N08 | 113.2° | 109.5° |
| C02 | C04 | C05 | 109.7° | 109.5° |
| C02 | C04 | H2 | 108.3° | 109.4° |
| N08 | C04 | C05 | 106.9° | 109.5° |
| C04 | N08 | C09 | 119.9° | 120.0° |
| N08 | C04 | H2 | 109.9° | 109.5° |
| C04 | N08 | H14 | 120.1° | 119.9° |
| C04 | C05 | C07 | 109.5° | 109.5° |
| C04 | C05 | O06 | 108.8° | 109.5° |
| C05 | C04 | H2 | 108.9° | 109.5° |
| C04 | C05 | H3 | 108.6° | 109.5° |
| C07 | C05 | O06 | 110.6° | 109.5° |
| C07 | C05 | H3 | 108.7° | 109.5° |
| C05 | C07 | H4 | 109.5° | 109.5° |
| C05 | C07 | H5 | 109.5° | 109.4° |
| C05 | C07 | H6 | 109.5° | 109.5° |
| O29 | C09 | N08 | 119.5° | 120.0° |
| O29 | C09 | N6 | 119.7° | 120.0° |
| O06 | C05 | H3 | 110.7° | 109.5° |
| C05 | O06 | H17 | 109.5° | 114.1° |
| N08 | C09 | N6 | 120.9° | 120.0° |
| C09 | N08 | H14 | 120.0° | 120.0° |
| C09 | N6 | C6 | 120.8° | 120.0° |
| C09 | N6 | H15 | 119.6° | 120.0° |
| N6 | C6 | N1 | 122.2° | 120.7° |
| N6 | C6 | C5 | 120.4° | 120.8° |
| C6 | N6 | H15 | 119.6° | 120.0° |
| C6 | N1 | C2 | 120.9° | 121.2° |
| N1 | C6 | C5 | 117.4° | 118.5° |
| N1 | C2 | N3 | 123.5° | 122.5° |
| N1 | C2 | H1 | 118.2° | 118.7° |
| C6 | C5 | N7 | 135.6° | 134.7° |
| C6 | C5 | C4 | 117.3° | 118.2° |
| C2 | N3 | C4 | 121.7° | 120.6° |
| N3 | C2 | H1 | 118.2° | 118.8° |
| N7 | C5 | C4 | 107.1° | 107.1° |
| C5 | N7 | C8 | 107.1° | 109.5° |
| C5 | C4 | N3 | 119.2° | 119.1° |
| C5 | C4 | N9 | 106.1° | 106.0° |
| N7 | C8 | N9 | 111.5° | 110.0° |
| N7 | C8 | H13 | 124.2° | 125.1° |
| N3 | C4 | N9 | 134.7° | 134.9° |
| C4 | N9 | C8 | 108.3° | 107.4° |
| C4 | N9 | C1' | 125.4° | 126.3° |
| C8 | N9 | C1' | 126.3° | 126.3° |
| N9 | C8 | H13 | 124.3° | 125.0° |
| N9 | C1' | O4' | 110.1° | 110.4° |
| N9 | C1' | C2' | 106.0° | 110.4° |
| N9 | C1' | H7 | 111.9° | 110.4° |
| O4' | C1' | C2' | 104.0° | 104.8° |
| C1' | O4' | C4' | 111.1° | 105.3° |
| O4' | C1' | H7 | 112.8° | 110.4° |
| C1' | C2' | O2' | 108.4° | 110.5° |
| C1' | C2' | C3' | 102.3° | 104.0° |
| C2' | C1' | H7 | 111.5° | 110.3° |
| C1' | C2' | H8 | 111.8° | 110.5° |
| O4' | C4' | C5' | 109.8° | 110.5° |
| O4' | C4' | C3' | 105.4° | 104.8° |
| O4' | C4' | H10 | 111.4° | 110.4° |
| OP2 | P | O5' | 109.3° | 109.5° |
| OP2 | P | OP1 | 120.1° | 109.4° |
| OP2 | P | OP3 | 111.6° | 109.5° |
| O2' | C2' | C3' | 109.0° | 110.5° |
| O2' | C2' | H8 | 113.0° | 110.5° |
| C2' | O2' | H18 | 109.5° | 114.0° |
| C2' | C3' | C4' | 104.2° | 104.1° |
| C2' | C3' | O3' | 111.0° | 110.5° |
| C3' | C2' | H8 | 111.7° | 110.6° |
| C2' | C3' | H9 | 109.5° | 110.5° |
| O5' | P | OP1 | 107.4° | 109.4° |
| P | O5' | C5' | 121.2° | 123.0° |
| O5' | P | OP3 | 99.3° | 109.5° |
| OP1 | P | OP3 | 107.1° | 109.5° |
| P | OP1 | H20 | 109.5° | 114.0° |
| C4' | C5' | O5' | 109.1° | 109.5° |
| C5' | C4' | C3' | 110.1° | 110.4° |
| C5' | C4' | H10 | 110.0° | 110.3° |
| C4' | C5' | H11 | 109.6° | 109.5° |
| C4' | C5' | H12 | 109.5° | 109.5° |
| O5' | C5' | H11 | 109.6° | 109.5° |
| O5' | C5' | H12 | 109.6° | 109.5° |
| C4' | C3' | O3' | 111.7° | 110.5° |
| C4' | C3' | H9 | 109.5° | 110.7° |
| C3' | C4' | H10 | 110.1° | 110.4° |
| O3' | C3' | H9 | 110.7° | 110.5° |
| C3' | O3' | H19 | 109.5° | 114.0° |
| P | OP3 | H21 | 109.5° | 114.0° |
| H4 | C07 | H5 | 109.4° | 109.5° |
| H4 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H11 | C5' | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C04 | 180.0° | 179.9° |
| O01 | C02 | C04 | N08 | 162.7° | 0.0° |
| O01 | C02 | C04 | C05 | 78.1° | 120.0° |
| O01 | C02 | C04 | H2 | 40.7° | 120.0° |
| O01 | C02 | O03 | H16 | 0.0° | 0.0° |
| O03 | C02 | C04 | N08 | 17.3° | 180.0° |
| O03 | C02 | C04 | C05 | 101.9° | 60.0° |
| O03 | C02 | C04 | H2 | 139.3° | 60.0° |
| C02 | C04 | N08 | C05 | 120.8° | 120.0° |
| C02 | C04 | N08 | H2 | 121.1° | 119.9° |
| C02 | C04 | C05 | H2 | 118.3° | 119.9° |
| C02 | C04 | C05 | C07 | 67.3° | 65.0° |
| C02 | C04 | C05 | O06 | 53.6° | 55.0° |
| C02 | C04 | N08 | C09 | 102.2° | 85.0° |
| C02 | C04 | C05 | H3 | 174.2° | 175.0° |
| C02 | C04 | N08 | H14 | 77.8° | 95.1° |
| C04 | C02 | O03 | H16 | 180.0° | 180.0° |
| N08 | C04 | C05 | H2 | 118.6° | 120.0° |
| N08 | C04 | C05 | C07 | 169.7° | 175.0° |
| C04 | N08 | C09 | O29 | 0.7° | 0.0° |
| N08 | C04 | C05 | O06 | 69.4° | 65.0° |
| C04 | N08 | C09 | H14 | 180.0° | 180.0° |
| C04 | N08 | C09 | N6 | 179.4° | 180.0° |
| N08 | C04 | C05 | H3 | 51.1° | 55.0° |
| C04 | C05 | C07 | O06 | 119.9° | 120.0° |
| C04 | C05 | C07 | H3 | 118.5° | 120.0° |
| C04 | C05 | O06 | H3 | 119.2° | 120.0° |
| C05 | C04 | N08 | C09 | 137.0° | 155.0° |
| C04 | C05 | C07 | H4 | 180.0° | 60.0° |
| C04 | C05 | C07 | H5 | 60.0° | 180.0° |
| C04 | C05 | C07 | H6 | 60.0° | 60.0° |
| C05 | C04 | N08 | H14 | 43.0° | 25.0° |
| C04 | C05 | O06 | H17 | 180.0° | 60.0° |
| C07 | C05 | O06 | H3 | 120.5° | 120.0° |
| C07 | C05 | C04 | H2 | 51.0° | 54.9° |
| C05 | C07 | H4 | H5 | 120.0° | 119.9° |
| C05 | C07 | H4 | H6 | 120.0° | 120.0° |
| C05 | C07 | H5 | H6 | 120.0° | 120.0° |
| C07 | C05 | O06 | H17 | 59.7° | 60.0° |
| O29 | C09 | N08 | N6 | 179.9° | 179.9° |
| O29 | C09 | N6 | C6 | 179.5° | 0.1° |
| O29 | C09 | N08 | H14 | 179.3° | 179.9° |
| O29 | C09 | N6 | H15 | 0.4° | 180.0° |
| O06 | C05 | C04 | H2 | 172.0° | 174.9° |
| O06 | C05 | C07 | H4 | 60.1° | 180.0° |
| O06 | C05 | C07 | H5 | 59.9° | 60.1° |
| O06 | C05 | C07 | H6 | 179.9° | 60.0° |
| N08 | C09 | N6 | C6 | 0.5° | 180.0° |
| C09 | N08 | C04 | H2 | 18.9° | 35.0° |
| N08 | C09 | N6 | H15 | 179.5° | 0.0° |
| C09 | N6 | C6 | H15 | 180.0° | 180.0° |
| C09 | N6 | C6 | N1 | 1.9° | 0.0° |
| C09 | N6 | C6 | C5 | 179.5° | 180.0° |
| N6 | C09 | N08 | H14 | 0.6° | 0.0° |
| N6 | C6 | N1 | C5 | 178.6° | 180.0° |
| N6 | C6 | N1 | C2 | 179.5° | 179.9° |
| N6 | C6 | C5 | N7 | 0.9° | 0.0° |
| N6 | C6 | C5 | C4 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.1° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| N1 | C6 | C5 | C4 | 1.0° | 0.0° |
| C6 | N1 | C2 | H1 | 179.6° | 179.7° |
| N1 | C6 | N6 | H15 | 178.1° | 180.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.2° |
| N1 | C2 | N3 | H1 | 180.0° | 179.8° |
| N1 | C2 | N3 | C4 | 0.1° | 0.2° |
| C6 | C5 | N7 | C4 | 179.4° | 180.0° |
| C6 | C5 | N7 | C8 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 0.7° | 0.3° |
| C6 | C5 | C4 | N9 | 179.5° | 180.0° |
| C5 | C6 | N6 | H15 | 0.5° | 0.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.4° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 179.7° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H13 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N3 | N9 | 179.8° | 179.6° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C1' | 179.5° | 180.0° |
| N7 | C8 | N9 | C4 | 0.3° | 0.0° |
| N7 | C8 | N9 | H13 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.5° | 179.9° |
| N3 | C4 | N9 | C8 | 179.6° | 179.7° |
| N3 | C4 | N9 | C1' | 0.3° | 0.3° |
| C4 | N3 | C2 | H1 | 180.0° | 180.0° |
| C4 | N9 | C8 | C1' | 179.3° | 180.0° |
| C4 | N9 | C1' | O4' | 178.6° | 156.4° |
| C4 | N9 | C1' | C2' | 66.7° | 88.2° |
| C4 | N9 | C1' | H7 | 55.1° | 34.1° |
| C4 | N9 | C8 | H13 | 179.7° | 180.0° |
| C8 | N9 | C1' | O4' | 0.5° | 23.6° |
| C8 | N9 | C1' | C2' | 112.4° | 91.8° |
| C8 | N9 | C1' | H7 | 125.8° | 145.9° |
| N9 | C1' | O4' | C2' | 113.2° | 118.9° |
| N9 | C1' | O4' | H7 | 125.8° | 122.3° |
| N9 | C1' | C2' | H7 | 122.1° | 122.3° |
| N9 | C1' | O4' | C4' | 88.4° | 159.3° |
| N9 | C1' | C2' | O2' | 164.0° | 98.5° |
| N9 | C1' | C2' | C3' | 80.9° | 142.8° |
| N9 | C1' | C2' | H8 | 38.7° | 24.0° |
| C1' | N9 | C8 | H13 | 0.5° | 0.0° |
| O4' | C1' | C2' | H7 | 121.8° | 118.8° |
| O4' | C1' | C2' | O2' | 79.9° | 142.6° |
| O4' | C1' | C2' | C3' | 35.2° | 23.9° |
| C1' | O4' | C4' | C5' | 114.9° | 159.4° |
| C1' | O4' | C4' | C3' | 3.6° | 40.5° |
| O4' | C1' | C2' | H8 | 154.9° | 94.8° |
| C1' | O4' | C4' | H10 | 123.0° | 78.4° |
| C2' | C1' | O4' | C4' | 24.8° | 40.5° |
| C1' | C2' | O2' | C3' | 110.6° | 114.6° |
| C1' | C2' | O2' | H8 | 124.5° | 122.6° |
| C1' | C2' | C3' | H8 | 119.7° | 118.7° |
| C1' | C2' | C3' | C4' | 33.0° | 0.0° |
| C1' | C2' | C3' | O3' | 153.5° | 118.7° |
| C1' | C2' | C3' | H9 | 84.0° | 118.8° |
| C1' | C2' | O2' | H18 | 180.0° | 180.0° |
| O4' | C4' | C3' | C2' | 18.9° | 24.0° |
| O4' | C4' | C5' | C3' | 115.5° | 115.5° |
| O4' | C4' | C5' | H10 | 122.9° | 122.3° |
| O4' | C4' | C5' | O5' | 91.2° | 69.5° |
| O4' | C4' | C3' | H10 | 120.2° | 118.9° |
| O4' | C4' | C3' | O3' | 138.9° | 142.6° |
| C4' | O4' | C1' | H7 | 145.8° | 78.3° |
| O4' | C4' | C3' | H9 | 98.1° | 94.7° |
| O4' | C4' | C5' | H11 | 148.8° | 170.4° |
| O4' | C4' | C5' | H12 | 28.7° | 50.5° |
| OP2 | P | O5' | OP1 | 131.8° | 119.9° |
| OP2 | P | O5' | OP3 | 116.8° | 120.0° |
| OP2 | P | OP1 | OP3 | 128.6° | 120.0° |
| OP2 | P | O5' | C5' | 11.1° | 55.0° |
| OP2 | P | OP1 | H20 | 0.0° | 60.0° |
| OP2 | P | OP3 | H21 | 0.0° | 180.0° |
| O2' | C2' | C3' | H8 | 125.6° | 122.7° |
| O2' | C2' | C3' | C4' | 81.6° | 118.6° |
| O2' | C2' | C3' | O3' | 38.8° | 0.0° |
| O2' | C2' | C1' | H7 | 41.9° | 23.8° |
| O2' | C2' | C3' | H9 | 161.3° | 122.6° |
| C2' | C3' | C4' | C5' | 137.2° | 142.9° |
| C2' | C3' | C4' | O3' | 120.0° | 118.6° |
| C2' | C3' | C4' | H9 | 117.0° | 118.7° |
| C2' | C3' | O3' | H9 | 121.8° | 122.6° |
| C3' | C2' | C1' | H7 | 157.0° | 94.9° |
| C2' | C3' | C4' | H10 | 101.3° | 94.9° |
| C3' | C2' | O2' | H18 | 69.4° | 65.4° |
| C2' | C3' | O3' | H19 | 180.0° | 61.4° |
| O5' | P | OP1 | OP3 | 105.8° | 120.0° |
| P | O5' | C5' | C4' | 157.7° | 180.0° |
| P | O5' | C5' | H11 | 82.4° | 60.0° |
| P | O5' | C5' | H12 | 37.8° | 59.9° |
| O5' | P | OP1 | H20 | 125.6° | 180.0° |
| O5' | P | OP3 | H21 | 115.1° | 60.0° |
| OP1 | P | O5' | C5' | 142.9° | 175.0° |
| OP1 | P | OP3 | H21 | 133.4° | 60.0° |
| C4' | C5' | O5' | H11 | 119.9° | 120.0° |
| C4' | C5' | O5' | H12 | 119.9° | 120.0° |
| C5' | C4' | C3' | H10 | 121.5° | 122.2° |
| C5' | C4' | C3' | O3' | 102.8° | 98.5° |
| C5' | C4' | C3' | H9 | 20.2° | 24.2° |
| C4' | C5' | H11 | H12 | 120.2° | 120.0° |
| O5' | C5' | C4' | C3' | 153.2° | 175.0° |
| C5' | O5' | P | OP3 | 105.7° | 65.0° |
| O5' | C5' | C4' | H10 | 31.7° | 52.8° |
| O5' | C5' | H11 | H12 | 120.2° | 120.0° |
| C4' | C3' | O3' | H9 | 122.3° | 122.8° |
| C4' | C3' | C2' | H8 | 152.7° | 118.7° |
| C3' | C4' | C5' | H11 | 33.3° | 55.0° |
| C3' | C4' | C5' | H12 | 86.8° | 65.0° |
| C4' | C3' | O3' | H19 | 64.1° | 176.1° |
| O3' | C3' | C2' | H8 | 86.9° | 122.6° |
| O3' | C3' | C4' | H10 | 18.7° | 23.7° |
| OP3 | P | OP1 | H20 | 128.6° | 60.0° |
| H2 | C04 | C05 | H3 | 67.5° | 65.0° |
| H2 | C04 | N08 | H14 | 161.1° | 145.0° |
| H3 | C05 | C07 | H4 | 61.5° | 60.0° |
| H3 | C05 | C07 | H5 | 178.5° | 60.0° |
| H3 | C05 | C07 | H6 | 58.5° | 180.0° |
| H3 | C05 | O06 | H17 | 60.8° | 180.0° |
| H4 | C07 | H5 | H6 | 120.0° | 120.1° |
| H7 | C1' | C2' | H8 | 83.3° | 146.4° |
| H8 | C2' | C3' | H9 | 35.7° | 0.1° |
| H8 | C2' | O2' | H18 | 55.5° | 57.4° |
| H9 | C3' | C4' | H10 | 141.7° | 146.4° |
| H9 | C3' | O3' | H19 | 58.2° | 61.1° |
| H10 | C4' | C5' | H11 | 88.2° | 67.3° |
| H10 | C4' | C5' | H12 | 151.6° | 172.8° |
