GUU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.51Å | 1.49Å | |
| C04 | C01 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | O05 | sing | 1.43Å | 1.45Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| O09 | C08 | sing | 1.43Å | 1.44Å | |
| C10 | O09 | sing | 1.36Å | 1.39Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C14 | sing | 1.51Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.48Å | |
| C18 | C17 | sing | 1.51Å | 1.47Å | |
| O19 | C18 | doub | 1.21Å | 1.23Å | |
| N20 | C18 | sing | 1.35Å | 1.42Å | |
| S21 | N20 | sing | 1.66Å | 1.62Å | |
| O22 | S21 | doub | 1.42Å | 1.42Å | |
| C23 | S21 | sing | 1.81Å | 1.71Å | |
| O24 | S21 | doub | 1.42Å | 1.42Å | |
| O05 | C04 | sing | 1.36Å | 1.36Å | |
| C25 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | N26 | sing | 1.33Å | 1.37Å | Aromatic |
| N28 | C27 | doub | 1.32Å | 1.35Å | Aromatic |
| N29 | C27 | sing | 1.39Å | 1.38Å | |
| N26 | C25 | doub | 1.33Å | 1.35Å | Aromatic |
| N30 | C25 | sing | 1.39Å | 1.35Å | |
| C01 | N28 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| N29 | H292 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| N30 | H302 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 110.7° | 109.5° |
| C03 | C02 | H021 | 109.2° | 109.5° |
| C03 | C02 | H022 | 109.1° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C01 | C04 | 123.6° | 120.4° |
| C02 | C01 | N28 | 114.8° | 120.4° |
| C01 | C02 | H021 | 109.2° | 109.5° |
| C01 | C02 | H022 | 109.2° | 109.5° |
| C01 | C04 | O05 | 122.5° | 120.8° |
| C01 | C04 | C25 | 117.6° | 118.4° |
| C04 | C01 | N28 | 121.6° | 119.2° |
| O05 | C06 | C07 | 109.9° | 109.4° |
| C06 | O05 | C04 | 116.0° | 117.0° |
| O05 | C06 | H062 | 109.4° | 109.5° |
| O05 | C06 | H061 | 109.4° | 109.4° |
| C06 | C07 | C08 | 111.8° | 109.5° |
| C07 | C06 | H062 | 109.4° | 109.5° |
| C07 | C06 | H061 | 109.3° | 109.5° |
| C06 | C07 | H072 | 108.9° | 109.5° |
| C06 | C07 | H071 | 108.9° | 109.5° |
| C07 | C08 | O09 | 106.5° | 109.5° |
| C08 | C07 | H072 | 108.9° | 109.4° |
| C08 | C07 | H071 | 108.9° | 109.4° |
| C07 | C08 | H082 | 110.2° | 109.5° |
| C07 | C08 | H081 | 110.2° | 109.5° |
| C08 | O09 | C10 | 117.6° | 117.0° |
| O09 | C08 | H082 | 110.2° | 109.5° |
| O09 | C08 | H081 | 110.2° | 109.5° |
| O09 | C10 | C11 | 123.6° | 120.0° |
| O09 | C10 | C14 | 116.4° | 120.1° |
| C11 | C12 | C13 | 119.7° | 120.1° |
| C12 | C11 | C10 | 120.8° | 119.9° |
| C12 | C11 | H111 | 119.6° | 120.0° |
| C11 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | C15 | 119.2° | 120.1° |
| C13 | C12 | H121 | 120.1° | 120.0° |
| C12 | C13 | H131 | 120.4° | 119.9° |
| C11 | C10 | C14 | 120.0° | 119.9° |
| C10 | C11 | H111 | 119.6° | 120.0° |
| C10 | C14 | C15 | 118.2° | 120.0° |
| C10 | C14 | C16 | 121.6° | 120.0° |
| C15 | C14 | C16 | 120.2° | 120.0° |
| C14 | C15 | C13 | 122.0° | 120.1° |
| C14 | C15 | H151 | 119.0° | 120.0° |
| C14 | C16 | C17 | 116.4° | 109.5° |
| C14 | C16 | H161 | 107.7° | 109.5° |
| C14 | C16 | H162 | 107.7° | 109.4° |
| C16 | C17 | C18 | 113.5° | 109.4° |
| C17 | C16 | H161 | 107.7° | 109.5° |
| C17 | C16 | H162 | 107.7° | 109.5° |
| C16 | C17 | H172 | 108.5° | 109.5° |
| C16 | C17 | H171 | 108.4° | 109.5° |
| C17 | C18 | O19 | 124.0° | 120.0° |
| C17 | C18 | N20 | 119.8° | 120.0° |
| C18 | C17 | H172 | 108.4° | 109.5° |
| C18 | C17 | H171 | 108.5° | 109.5° |
| O19 | C18 | N20 | 116.2° | 120.0° |
| C18 | N20 | S21 | 124.4° | 120.0° |
| C18 | N20 | H201 | 117.8° | 120.0° |
| N20 | S21 | O22 | 110.8° | 104.3° |
| N20 | S21 | C23 | 103.4° | 104.5° |
| N20 | S21 | O24 | 108.5° | 104.2° |
| S21 | N20 | H201 | 117.8° | 120.0° |
| O22 | S21 | C23 | 106.4° | 110.6° |
| O22 | S21 | O24 | 118.3° | 121.0° |
| C23 | S21 | O24 | 108.4° | 110.5° |
| S21 | C23 | H233 | 109.5° | 109.5° |
| S21 | C23 | H232 | 109.5° | 109.5° |
| S21 | C23 | H231 | 109.4° | 109.5° |
| O05 | C04 | C25 | 119.9° | 120.8° |
| C04 | C25 | N26 | 122.8° | 119.0° |
| C04 | C25 | N30 | 121.3° | 120.5° |
| N26 | C27 | N28 | 125.3° | 121.7° |
| N26 | C27 | N29 | 117.5° | 119.1° |
| C27 | N26 | C25 | 114.7° | 120.7° |
| N28 | C27 | N29 | 117.1° | 119.2° |
| C27 | N28 | C01 | 117.8° | 121.0° |
| C27 | N29 | H292 | 109.5° | 120.1° |
| C27 | N29 | H291 | 109.5° | 120.0° |
| N26 | C25 | N30 | 115.8° | 120.5° |
| C25 | N30 | H301 | 109.5° | 120.0° |
| C25 | N30 | H302 | 109.5° | 120.0° |
| C15 | C13 | H131 | 120.4° | 120.0° |
| C13 | C15 | H151 | 119.0° | 119.9° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H033 | C03 | H032 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H292 | N29 | H291 | 109.5° | 119.9° |
| H301 | N30 | H302 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | H021 | 120.2° | 120.0° |
| C03 | C02 | C01 | H022 | 120.2° | 120.0° |
| C03 | C02 | C01 | C04 | 118.8° | 93.5° |
| C03 | C02 | C01 | N28 | 58.9° | 86.7° |
| C03 | C02 | H021 | H022 | 119.4° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C02 | C01 | C04 | N28 | 177.6° | 179.7° |
| C02 | C01 | C04 | O05 | 2.1° | 0.3° |
| C02 | C01 | C04 | C25 | 180.0° | 179.7° |
| C02 | C01 | N28 | C27 | 179.5° | 179.7° |
| C01 | C02 | H021 | H022 | 119.4° | 120.1° |
| C01 | C02 | C03 | H031 | 180.0° | 57.6° |
| C01 | C02 | C03 | H033 | 60.0° | 62.4° |
| C01 | C02 | C03 | H032 | 60.0° | 177.6° |
| C01 | C04 | O05 | C06 | 92.5° | 95.1° |
| C01 | C04 | O05 | C25 | 177.8° | 180.0° |
| C04 | C01 | N28 | C27 | 2.7° | 0.0° |
| C01 | C04 | C25 | N26 | 1.8° | 0.0° |
| C01 | C04 | C25 | N30 | 179.5° | 179.9° |
| C04 | C01 | C02 | H021 | 120.9° | 146.5° |
| C04 | C01 | C02 | H022 | 1.3° | 26.5° |
| O05 | C06 | C07 | H062 | 120.1° | 120.0° |
| O05 | C06 | C07 | H061 | 120.1° | 120.0° |
| O05 | C06 | C07 | C08 | 63.7° | 180.0° |
| C06 | O05 | C04 | C25 | 89.7° | 84.9° |
| O05 | C06 | H062 | H061 | 119.8° | 120.0° |
| O05 | C06 | C07 | H072 | 176.0° | 60.0° |
| O05 | C06 | C07 | H071 | 56.7° | 60.0° |
| C06 | C07 | C08 | H072 | 120.3° | 120.0° |
| C06 | C07 | C08 | H071 | 120.4° | 120.0° |
| C06 | C07 | C08 | O09 | 65.0° | 180.0° |
| C07 | C06 | O05 | C04 | 178.5° | 177.6° |
| C07 | C06 | H062 | H061 | 119.8° | 120.1° |
| C06 | C07 | H072 | H071 | 118.9° | 120.1° |
| C06 | C07 | C08 | H082 | 175.5° | 60.0° |
| C06 | C07 | C08 | H081 | 54.6° | 60.0° |
| C07 | C08 | O09 | H082 | 119.6° | 120.1° |
| C07 | C08 | O09 | H081 | 119.5° | 120.0° |
| C07 | C08 | O09 | C10 | 170.2° | 180.0° |
| C08 | C07 | C06 | H062 | 56.4° | 60.0° |
| C08 | C07 | C06 | H061 | 176.3° | 60.0° |
| C08 | C07 | H072 | H071 | 119.0° | 120.0° |
| C07 | C08 | H082 | H081 | 121.4° | 120.0° |
| C08 | O09 | C10 | C11 | 11.1° | 0.0° |
| C08 | O09 | C10 | C14 | 168.3° | 179.7° |
| O09 | C08 | C07 | H072 | 55.4° | 60.0° |
| O09 | C08 | C07 | H071 | 174.7° | 60.0° |
| O09 | C08 | H082 | H081 | 121.3° | 120.0° |
| O09 | C10 | C11 | C12 | 179.5° | 180.0° |
| O09 | C10 | C11 | C14 | 179.4° | 179.7° |
| O09 | C10 | C14 | C15 | 179.6° | 179.7° |
| O09 | C10 | C14 | C16 | 0.7° | 0.0° |
| C10 | O09 | C08 | H082 | 70.2° | 60.0° |
| C10 | O09 | C08 | H081 | 50.7° | 60.0° |
| O09 | C10 | C11 | H111 | 0.5° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C14 | 1.1° | 0.3° |
| C11 | C12 | C13 | C15 | 0.4° | 0.0° |
| C11 | C12 | C13 | H131 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.8° | 0.1° |
| C12 | C13 | C15 | C14 | 0.2° | 0.3° |
| C12 | C13 | C15 | H131 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 179.2° | 179.9° |
| C12 | C13 | C15 | H151 | 179.8° | 180.0° |
| C11 | C10 | C14 | C15 | 0.9° | 0.6° |
| C11 | C10 | C14 | C16 | 178.7° | 179.8° |
| C10 | C11 | C12 | H121 | 179.2° | 180.0° |
| C10 | C14 | C15 | C16 | 179.6° | 179.6° |
| C10 | C14 | C16 | C17 | 104.1° | 85.0° |
| C10 | C14 | C15 | C13 | 0.5° | 0.7° |
| C14 | C10 | C11 | H111 | 178.9° | 179.7° |
| C10 | C14 | C15 | H151 | 179.5° | 179.7° |
| C10 | C14 | C16 | H161 | 16.9° | 155.0° |
| C10 | C14 | C16 | H162 | 134.9° | 35.0° |
| C15 | C14 | C16 | C17 | 76.3° | 94.7° |
| C14 | C15 | C13 | H151 | 180.0° | 179.7° |
| C14 | C15 | C13 | H131 | 179.8° | 179.7° |
| C15 | C14 | C16 | H161 | 162.7° | 25.4° |
| C15 | C14 | C16 | H162 | 44.7° | 145.3° |
| C14 | C16 | C17 | H161 | 121.0° | 120.0° |
| C14 | C16 | C17 | H162 | 121.0° | 120.0° |
| C14 | C16 | C17 | C18 | 166.9° | 180.0° |
| C16 | C14 | C15 | C13 | 179.1° | 179.7° |
| C16 | C14 | C15 | H151 | 0.9° | 0.1° |
| C14 | C16 | H161 | H162 | 116.9° | 120.0° |
| C14 | C16 | C17 | H172 | 46.3° | 60.0° |
| C14 | C16 | C17 | H171 | 72.5° | 60.0° |
| C16 | C17 | C18 | H172 | 120.6° | 120.0° |
| C16 | C17 | C18 | H171 | 120.6° | 120.0° |
| C16 | C17 | C18 | O19 | 69.7° | 0.0° |
| C16 | C17 | C18 | N20 | 109.0° | 180.0° |
| C17 | C16 | H161 | H162 | 116.9° | 120.0° |
| C16 | C17 | H172 | H171 | 118.1° | 120.0° |
| C17 | C18 | O19 | N20 | 178.7° | 179.9° |
| C17 | C18 | N20 | S21 | 177.5° | 180.0° |
| C18 | C17 | C16 | H161 | 72.1° | 60.0° |
| C18 | C17 | C16 | H162 | 45.9° | 60.0° |
| C18 | C17 | H172 | H171 | 118.2° | 120.1° |
| C17 | C18 | N20 | H201 | 2.5° | 0.0° |
| O19 | C18 | N20 | S21 | 3.7° | 0.1° |
| O19 | C18 | C17 | H172 | 50.9° | 120.0° |
| O19 | C18 | C17 | H171 | 169.8° | 120.0° |
| O19 | C18 | N20 | H201 | 176.3° | 180.0° |
| C18 | N20 | S21 | H201 | 180.0° | 180.0° |
| C18 | N20 | S21 | O22 | 174.9° | 178.9° |
| C18 | N20 | S21 | C23 | 71.5° | 65.0° |
| C18 | N20 | S21 | O24 | 43.4° | 51.1° |
| N20 | C18 | C17 | H172 | 130.4° | 60.1° |
| N20 | C18 | C17 | H171 | 11.6° | 60.0° |
| N20 | S21 | O22 | C23 | 111.7° | 111.8° |
| N20 | S21 | O22 | O24 | 126.1° | 116.7° |
| N20 | S21 | C23 | O24 | 115.0° | 111.6° |
| N20 | S21 | C23 | H233 | 180.0° | 60.0° |
| N20 | S21 | C23 | H232 | 60.0° | 60.0° |
| N20 | S21 | C23 | H231 | 60.0° | 180.0° |
| O22 | S21 | C23 | O24 | 128.3° | 136.8° |
| O22 | S21 | N20 | H201 | 5.1° | 1.1° |
| O22 | S21 | C23 | H233 | 63.2° | 171.6° |
| O22 | S21 | C23 | H232 | 176.8° | 51.6° |
| O22 | S21 | C23 | H231 | 56.8° | 68.4° |
| C23 | S21 | N20 | H201 | 108.6° | 115.0° |
| S21 | C23 | H233 | H232 | 120.0° | 120.0° |
| S21 | C23 | H233 | H231 | 120.0° | 120.0° |
| S21 | C23 | H232 | H231 | 120.0° | 120.0° |
| O24 | S21 | N20 | H201 | 136.5° | 128.9° |
| O24 | S21 | C23 | H233 | 65.0° | 51.6° |
| O24 | S21 | C23 | H232 | 55.0° | 171.6° |
| O24 | S21 | C23 | H231 | 175.0° | 68.4° |
| O05 | C04 | C25 | N26 | 179.7° | 180.0° |
| O05 | C04 | C25 | N30 | 2.6° | 0.1° |
| O05 | C04 | C01 | N28 | 179.7° | 180.0° |
| C04 | O05 | C06 | H062 | 58.4° | 62.4° |
| C04 | O05 | C06 | H061 | 61.4° | 57.7° |
| C04 | C25 | N26 | C27 | 1.4° | 0.0° |
| C04 | C25 | N26 | N30 | 177.8° | 179.9° |
| C25 | C04 | C01 | N28 | 2.4° | 0.0° |
| C04 | C25 | N30 | H301 | 177.9° | 0.0° |
| C04 | C25 | N30 | H302 | 62.1° | 180.0° |
| N26 | C27 | N28 | N29 | 177.8° | 180.0° |
| C27 | N26 | C25 | N30 | 179.2° | 179.9° |
| N26 | C27 | N28 | C01 | 2.5° | 0.0° |
| N26 | C27 | N29 | H292 | 0.0° | 0.0° |
| N26 | C27 | N29 | H291 | 120.0° | 179.9° |
| N28 | C27 | N26 | C25 | 1.8° | 0.0° |
| N28 | C27 | N29 | H292 | 178.0° | 180.0° |
| N28 | C27 | N29 | H291 | 58.0° | 0.1° |
| N29 | C27 | N26 | C25 | 179.6° | 180.0° |
| N29 | C27 | N28 | C01 | 179.7° | 180.0° |
| C27 | N29 | H292 | H291 | 120.0° | 180.0° |
| N26 | C25 | N30 | H301 | 0.0° | 180.0° |
| N26 | C25 | N30 | H302 | 120.0° | 0.0° |
| C25 | N30 | H301 | H302 | 120.0° | 180.0° |
| N28 | C01 | C02 | H021 | 61.3° | 33.3° |
| N28 | C01 | C02 | H022 | 179.1° | 153.3° |
| C15 | C13 | C12 | H121 | 179.6° | 179.9° |
| H021 | C02 | C03 | H031 | 59.8° | 177.6° |
| H021 | C02 | C03 | H033 | 60.2° | 57.6° |
| H021 | C02 | C03 | H032 | 179.8° | 62.4° |
| H022 | C02 | C03 | H031 | 59.8° | 62.5° |
| H022 | C02 | C03 | H033 | 179.8° | 177.5° |
| H022 | C02 | C03 | H032 | 60.2° | 57.6° |
| H031 | C03 | H033 | H032 | 120.0° | 120.0° |
| H062 | C06 | C07 | H072 | 63.9° | 180.0° |
| H062 | C06 | C07 | H071 | 176.8° | 60.0° |
| H061 | C06 | C07 | H072 | 55.9° | 60.0° |
| H061 | C06 | C07 | H071 | 63.4° | NaN° |
| H072 | C07 | C08 | H082 | 64.2° | 180.0° |
| H072 | C07 | C08 | H081 | 174.9° | 60.0° |
| H071 | C07 | C08 | H082 | 55.1° | 60.0° |
| H071 | C07 | C08 | H081 | 65.8° | 180.0° |
| H111 | C11 | C12 | H121 | 0.8° | 0.0° |
| H121 | C12 | C13 | H131 | 0.4° | 0.1° |
| H131 | C13 | C15 | H151 | 0.2° | 0.0° |
| H161 | C16 | C17 | H172 | 167.3° | 180.0° |
| H161 | C16 | C17 | H171 | 48.5° | 60.0° |
| H162 | C16 | C17 | H172 | 74.7° | 60.0° |
| H162 | C16 | C17 | H171 | 166.5° | 180.0° |
| H233 | C23 | H232 | H231 | 120.0° | 120.0° |
