U55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C11 | sing | 1.39Å | 1.38Å | |
| N17 | H171 | sing | 0.97Å | 1.02Å | |
| N17 | H172 | sing | 0.97Å | 1.02Å | |
| C11 | N12 | doub | 1.33Å | 1.36Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.42Å | Aromatic |
| N12 | C13 | sing | 1.32Å | 1.39Å | Aromatic |
| C13 | N14 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| N14 | C15 | sing | 1.33Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C15 | N18 | sing | 1.39Å | 1.33Å | |
| N18 | C01 | sing | 1.40Å | 1.34Å | |
| N18 | H181 | sing | 0.97Å | 1.02Å | |
| C01 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C01 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | H061 | sing | 1.08Å | 1.10Å | |
| C05 | C04 | doub | 1.38Å | 1.42Å | Aromatic |
| C05 | H051 | sing | 1.08Å | 1.10Å | |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | H021 | sing | 1.08Å | 1.10Å | |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | H031 | sing | 1.08Å | 1.10Å | |
| C04 | S07 | sing | 1.76Å | 1.73Å | |
| S07 | O08 | doub | 1.42Å | 1.43Å | |
| S07 | O09 | doub | 1.42Å | 1.50Å | |
| S07 | N10 | sing | 1.66Å | 1.60Å | |
| N10 | H101 | sing | 0.97Å | 1.02Å | |
| N10 | H102 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N17 | H171 | 118.0° | 120.1° |
| C11 | N17 | H172 | 109.2° | 119.9° |
| N17 | C11 | N12 | 118.0° | 120.4° |
| N17 | C11 | C16 | 122.0° | 120.6° |
| H171 | N17 | H172 | 109.2° | 120.0° |
| N12 | C11 | C16 | 120.0° | 119.0° |
| C11 | N12 | C13 | 117.4° | 120.8° |
| C11 | C16 | C15 | 119.8° | 118.3° |
| C11 | C16 | H161 | 120.9° | 120.8° |
| N12 | C13 | N14 | 124.4° | 122.0° |
| N12 | C13 | H131 | 119.8° | 119.0° |
| N14 | C13 | H131 | 115.8° | 119.0° |
| C13 | N14 | C15 | 119.0° | 120.9° |
| N14 | C15 | C16 | 118.9° | 119.0° |
| N14 | C15 | N18 | 116.9° | 120.5° |
| C15 | C16 | H161 | 119.3° | 120.9° |
| C16 | C15 | N18 | 124.2° | 120.5° |
| C15 | N18 | C01 | 131.2° | 120.0° |
| C15 | N18 | H181 | 104.6° | 120.0° |
| C01 | N18 | H181 | 104.7° | 120.0° |
| N18 | C01 | C06 | 120.5° | 120.0° |
| N18 | C01 | C02 | 121.1° | 120.1° |
| C06 | C01 | C02 | 118.4° | 119.9° |
| C01 | C06 | C05 | 120.9° | 119.9° |
| C01 | C06 | H061 | 119.9° | 120.1° |
| C01 | C02 | C03 | 120.6° | 119.9° |
| C01 | C02 | H021 | 120.1° | 120.1° |
| C05 | C06 | H061 | 119.2° | 120.0° |
| C06 | C05 | C04 | 119.6° | 120.1° |
| C06 | C05 | H051 | 119.8° | 120.0° |
| C04 | C05 | H051 | 120.6° | 119.9° |
| C05 | C04 | C03 | 119.4° | 120.1° |
| C05 | C04 | S07 | 119.1° | 120.0° |
| C03 | C02 | H021 | 119.2° | 120.0° |
| C02 | C03 | C04 | 120.8° | 120.1° |
| C02 | C03 | H031 | 119.5° | 120.0° |
| C04 | C03 | H031 | 119.6° | 119.9° |
| C03 | C04 | S07 | 120.2° | 119.9° |
| C04 | S07 | O08 | 109.1° | 105.8° |
| C04 | S07 | O09 | 105.9° | 105.7° |
| C04 | S07 | N10 | 114.6° | 107.4° |
| O08 | S07 | O09 | 108.4° | 125.4° |
| O08 | S07 | N10 | 111.0° | 105.8° |
| O09 | S07 | N10 | 107.5° | 105.8° |
| S07 | N10 | H101 | 114.6° | 120.0° |
| S07 | N10 | H102 | 110.3° | 120.0° |
| H101 | N10 | H102 | 110.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N17 | H171 | H172 | 125.3° | 179.8° |
| N17 | C11 | N12 | C16 | 177.9° | 179.7° |
| N17 | C11 | N12 | C13 | 175.4° | 179.8° |
| N17 | C11 | C16 | C15 | 178.8° | 180.0° |
| N17 | C11 | C16 | H161 | 1.3° | 0.1° |
| H171 | N17 | C11 | N12 | 180.0° | 0.3° |
| H171 | N17 | C11 | C16 | 2.1° | 180.0° |
| H172 | N17 | C11 | N12 | 54.7° | 179.5° |
| H172 | N17 | C11 | C16 | 127.5° | 0.2° |
| C11 | N12 | C13 | N14 | 7.8° | 0.5° |
| C11 | N12 | C13 | H131 | 172.1° | 179.7° |
| N12 | C11 | C16 | C15 | 3.4° | 0.3° |
| N12 | C11 | C16 | H161 | 176.6° | 179.8° |
| C16 | C11 | N12 | C13 | 2.5° | 0.5° |
| C11 | C16 | C15 | N14 | 4.5° | 0.0° |
| C11 | C16 | C15 | H161 | 179.9° | 180.0° |
| C11 | C16 | C15 | N18 | 173.2° | 180.0° |
| N12 | C13 | N14 | H131 | 179.9° | 179.7° |
| N12 | C13 | N14 | C15 | 6.8° | 0.2° |
| C13 | N14 | C15 | C16 | 0.4° | 0.0° |
| C13 | N14 | C15 | N18 | 178.2° | 180.0° |
| H131 | C13 | N14 | C15 | 173.2° | 180.0° |
| N14 | C15 | C16 | N18 | 177.7° | 180.0° |
| N14 | C15 | C16 | H161 | 175.5° | 179.9° |
| N14 | C15 | N18 | C01 | 157.8° | 6.0° |
| N14 | C15 | N18 | H181 | 32.6° | 174.0° |
| C16 | C15 | N18 | C01 | 24.5° | 174.0° |
| C16 | C15 | N18 | H181 | 149.7° | 5.9° |
| H161 | C16 | C15 | N18 | 6.9° | 0.1° |
| C15 | N18 | C01 | H181 | 125.2° | 180.0° |
| C15 | N18 | C01 | C06 | 168.0° | 35.8° |
| C15 | N18 | C01 | C02 | 13.3° | 144.6° |
| N18 | C01 | C06 | C02 | 178.7° | 179.6° |
| N18 | C01 | C06 | C05 | 176.4° | 180.0° |
| N18 | C01 | C06 | H061 | 3.6° | 0.1° |
| N18 | C01 | C02 | C03 | 175.4° | 179.7° |
| N18 | C01 | C02 | H021 | 4.6° | 0.4° |
| H181 | N18 | C01 | C06 | 66.8° | 144.2° |
| H181 | N18 | C01 | C02 | 111.9° | 35.4° |
| C01 | C06 | C05 | H061 | 179.9° | 179.9° |
| C01 | C06 | C05 | C04 | 1.6° | 0.0° |
| C01 | C06 | C05 | H051 | 178.4° | 179.9° |
| C06 | C01 | C02 | C03 | 5.8° | 0.7° |
| C06 | C01 | C02 | H021 | 174.1° | 180.0° |
| C02 | C01 | C06 | C05 | 4.8° | 0.4° |
| C02 | C01 | C06 | H061 | 175.1° | 179.7° |
| C01 | C02 | C03 | H021 | 180.0° | 179.3° |
| C01 | C02 | C03 | C04 | 3.7° | 0.7° |
| C01 | C02 | C03 | H031 | 176.4° | 179.7° |
| C06 | C05 | C04 | H051 | 179.9° | 179.9° |
| C06 | C05 | C04 | C03 | 0.6° | 0.1° |
| C06 | C05 | C04 | S07 | 167.4° | 180.0° |
| H061 | C06 | C05 | C04 | 178.3° | 179.9° |
| H061 | C06 | C05 | H051 | 1.6° | 0.0° |
| C05 | C04 | C03 | C02 | 0.4° | 0.3° |
| C05 | C04 | C03 | S07 | 166.6° | 179.9° |
| C05 | C04 | C03 | H031 | 179.7° | 180.0° |
| C05 | C04 | S07 | O08 | 104.1° | 157.4° |
| C05 | C04 | S07 | O09 | 12.4° | 22.7° |
| C05 | C04 | S07 | N10 | 130.8° | 90.0° |
| H051 | C05 | C04 | C03 | 179.3° | 180.0° |
| H051 | C05 | C04 | S07 | 12.5° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.7° |
| C02 | C03 | C04 | S07 | 166.2° | 179.7° |
| H021 | C02 | C03 | C04 | 176.3° | 179.9° |
| H021 | C02 | C03 | H031 | 3.7° | 0.4° |
| C03 | C04 | S07 | O08 | 62.6° | 22.6° |
| C03 | C04 | S07 | O09 | 179.0° | 157.4° |
| C03 | C04 | S07 | N10 | 62.6° | 90.0° |
| H031 | C03 | C04 | S07 | 13.7° | 0.0° |
| C04 | S07 | O08 | O09 | 114.9° | 123.1° |
| C04 | S07 | O08 | N10 | 127.2° | 113.8° |
| C04 | S07 | O09 | N10 | 123.0° | 113.8° |
| C04 | S07 | N10 | H101 | 180.0° | 180.0° |
| C04 | S07 | N10 | H102 | 54.7° | 0.0° |
| O08 | S07 | O09 | N10 | 120.1° | 123.1° |
| O08 | S07 | N10 | H101 | 55.8° | 67.4° |
| O08 | S07 | N10 | H102 | 178.9° | 112.6° |
| O09 | S07 | N10 | H101 | 62.6° | 67.4° |
| O09 | S07 | N10 | H102 | 62.7° | 112.6° |
| S07 | N10 | H101 | H102 | 125.3° | 180.0° |
