W57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O13 | sing | 1.43Å | 1.37Å | |
| O13 | C12 | sing | 1.36Å | 1.40Å | |
| C11 | C12 | sing | 1.42Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.34Å | Aromatic |
| C12 | N15 | doub | 1.31Å | 1.31Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C10 | O16 | sing | 1.34Å | 1.25Å | Aromatic |
| N15 | O16 | sing | 1.21Å | 1.28Å | Aromatic |
| C09 | N08 | sing | 1.46Å | 1.44Å | |
| C17 | N08 | sing | 1.34Å | 1.31Å | Aromatic |
| C17 | N18 | doub | 1.31Å | 1.33Å | Aromatic |
| N08 | C07 | sing | 1.38Å | 1.32Å | Aromatic |
| N18 | C02 | sing | 1.34Å | 1.28Å | Aromatic |
| C07 | N06 | doub | 1.32Å | 1.30Å | Aromatic |
| C07 | C03 | sing | 1.41Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.34Å | Aromatic |
| C02 | C03 | doub | 1.41Å | 1.39Å | Aromatic |
| C02 | N01 | sing | 1.37Å | 1.44Å | |
| C03 | N04 | sing | 1.34Å | 1.37Å | Aromatic |
| C05 | N04 | doub | 1.32Å | 1.30Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O13 | C12 | 115.6° | 117.0° |
| O13 | C14 | H141 | 109.5° | 109.5° |
| O13 | C14 | H142 | 109.4° | 109.5° |
| O13 | C14 | H143 | 109.4° | 109.5° |
| O13 | C12 | C11 | 131.4° | 126.9° |
| O13 | C12 | N15 | 123.6° | 126.9° |
| C12 | C11 | C10 | 108.3° | 104.0° |
| C11 | C12 | N15 | 105.1° | 106.2° |
| C12 | C11 | H111 | 125.9° | 128.0° |
| C11 | C10 | C09 | 130.0° | 126.7° |
| C11 | C10 | O16 | 103.4° | 106.6° |
| C10 | C11 | H111 | 125.9° | 128.1° |
| C12 | N15 | O16 | 106.0° | 111.5° |
| C09 | C10 | O16 | 125.7° | 126.7° |
| C10 | C09 | N08 | 110.2° | 109.5° |
| C10 | C09 | H091 | 109.3° | 109.4° |
| C10 | C09 | H092 | 109.3° | 109.5° |
| C10 | O16 | N15 | 116.1° | 111.8° |
| C09 | N08 | C17 | 117.5° | 120.1° |
| C09 | N08 | C07 | 124.2° | 120.1° |
| N08 | C09 | H091 | 109.3° | 109.5° |
| N08 | C09 | H092 | 109.3° | 109.5° |
| N08 | C17 | N18 | 123.9° | 122.3° |
| C17 | N08 | C07 | 118.3° | 119.8° |
| N08 | C17 | H171 | 118.1° | 118.8° |
| C17 | N18 | C02 | 117.3° | 122.0° |
| N18 | C17 | H171 | 118.0° | 118.8° |
| N08 | C07 | N06 | 129.5° | 135.1° |
| N08 | C07 | C03 | 121.3° | 118.4° |
| N18 | C02 | C03 | 121.9° | 119.2° |
| N18 | C02 | N01 | 117.8° | 120.5° |
| N06 | C07 | C03 | 109.2° | 106.5° |
| C07 | N06 | C05 | 105.6° | 108.7° |
| C07 | C03 | C02 | 117.0° | 118.3° |
| C07 | C03 | N04 | 108.6° | 106.4° |
| N06 | C05 | N04 | 112.8° | 110.2° |
| N06 | C05 | H051 | 123.6° | 124.9° |
| C03 | C02 | N01 | 119.8° | 120.4° |
| C02 | C03 | N04 | 134.5° | 135.2° |
| C02 | N01 | H011 | 109.5° | 120.1° |
| C02 | N01 | H012 | 109.5° | 119.9° |
| C03 | N04 | C05 | 103.3° | 108.2° |
| N04 | C05 | H051 | 123.6° | 124.9° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H011 | N01 | H012 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | O13 | C12 | C11 | 11.5° | 180.0° |
| C14 | O13 | C12 | N15 | 170.1° | 0.0° |
| O13 | C14 | H141 | H142 | 120.0° | 120.0° |
| O13 | C14 | H141 | H143 | 120.0° | 120.0° |
| O13 | C14 | H142 | H143 | 120.0° | 120.1° |
| O13 | C12 | C11 | N15 | 178.6° | 180.0° |
| O13 | C12 | C11 | C10 | 177.9° | 180.0° |
| O13 | C12 | N15 | O16 | 175.7° | 179.7° |
| O13 | C12 | C11 | H111 | 2.1° | 0.0° |
| C12 | O13 | C14 | H141 | 180.0° | 180.0° |
| C12 | O13 | C14 | H142 | 60.0° | 60.0° |
| C12 | O13 | C14 | H143 | 60.0° | 60.0° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 176.3° | 180.0° |
| C12 | C11 | C10 | O16 | 6.8° | 0.3° |
| C11 | C12 | N15 | O16 | 5.6° | 0.2° |
| C10 | C11 | C12 | N15 | 0.7° | 0.0° |
| C11 | C10 | C09 | O16 | 167.4° | 179.7° |
| C11 | C10 | O16 | N15 | 11.3° | 0.4° |
| C11 | C10 | C09 | N08 | 105.6° | 90.3° |
| C11 | C10 | C09 | H091 | 134.3° | 149.7° |
| C11 | C10 | C09 | H092 | 14.6° | 29.8° |
| C12 | N15 | O16 | C10 | 11.2° | 0.4° |
| N15 | C12 | C11 | H111 | 179.3° | 180.0° |
| C09 | C10 | O16 | N15 | 178.6° | 179.8° |
| C10 | C09 | N08 | H091 | 120.1° | 120.0° |
| C10 | C09 | N08 | H092 | 120.1° | 120.0° |
| C10 | C09 | N08 | C17 | 98.2° | 90.0° |
| C10 | C09 | N08 | C07 | 80.4° | 90.0° |
| C10 | C09 | H091 | H092 | 119.6° | 120.0° |
| C09 | C10 | C11 | H111 | 3.8° | 0.0° |
| O16 | C10 | C09 | N08 | 61.8° | 90.0° |
| O16 | C10 | C09 | H091 | 58.3° | 30.0° |
| O16 | C10 | C09 | H092 | 178.1° | 149.9° |
| O16 | C10 | C11 | H111 | 173.3° | 179.8° |
| C09 | N08 | C17 | C07 | 178.7° | 180.0° |
| C09 | N08 | C17 | N18 | 177.1° | 180.0° |
| C09 | N08 | C07 | N06 | 3.3° | 0.0° |
| C09 | N08 | C07 | C03 | 179.5° | 180.0° |
| C09 | N08 | C17 | H171 | 2.8° | 0.3° |
| N08 | C09 | H091 | H092 | 119.7° | 120.0° |
| N08 | C17 | N18 | H171 | 180.0° | 179.7° |
| N08 | C17 | N18 | C02 | 6.7° | 0.0° |
| C17 | N08 | C07 | N06 | 175.3° | 180.0° |
| C17 | N08 | C07 | C03 | 1.9° | 0.0° |
| C17 | N08 | C09 | H091 | 141.7° | 30.0° |
| C17 | N08 | C09 | H092 | 21.9° | 150.0° |
| N18 | C17 | N08 | C07 | 4.2° | 0.0° |
| C17 | N18 | C02 | C03 | 7.0° | 0.0° |
| C17 | N18 | C02 | N01 | 179.0° | 180.0° |
| N08 | C07 | N06 | C03 | 177.5° | 180.0° |
| N08 | C07 | N06 | C05 | 179.6° | 180.0° |
| N08 | C07 | C03 | C02 | 2.2° | 0.1° |
| N08 | C07 | C03 | N04 | 176.9° | 180.0° |
| C07 | N08 | C17 | H171 | 175.8° | 179.7° |
| C07 | N08 | C09 | H091 | 39.7° | 150.0° |
| C07 | N08 | C09 | H092 | 159.5° | 30.0° |
| N18 | C02 | C03 | C07 | 5.0° | 0.1° |
| N18 | C02 | C03 | N01 | 171.9° | 180.0° |
| N18 | C02 | C03 | N04 | 173.9° | 180.0° |
| C02 | N18 | C17 | H171 | 173.3° | 179.7° |
| N18 | C02 | N01 | H011 | 0.0° | 180.0° |
| N18 | C02 | N01 | H012 | 120.0° | 0.1° |
| N06 | C07 | C03 | C02 | 175.5° | 180.0° |
| N06 | C07 | C03 | N04 | 5.4° | 0.0° |
| C07 | N06 | C05 | N04 | 2.2° | 0.0° |
| C07 | N06 | C05 | H051 | 177.8° | 180.0° |
| C03 | C07 | N06 | C05 | 2.1° | 0.0° |
| C07 | C03 | C02 | N04 | 178.8° | 179.9° |
| C07 | C03 | C02 | N01 | 176.9° | 180.0° |
| C07 | C03 | N04 | C05 | 6.4° | 0.0° |
| N06 | C05 | N04 | C03 | 5.3° | 0.0° |
| N06 | C05 | N04 | H051 | 180.0° | 179.9° |
| C02 | C03 | N04 | C05 | 174.7° | 179.9° |
| C03 | C02 | N01 | H011 | 172.2° | 0.0° |
| C03 | C02 | N01 | H012 | 67.8° | 180.0° |
| N01 | C02 | C03 | N04 | 2.0° | 0.1° |
| C02 | N01 | H011 | H012 | 120.0° | 180.0° |
| C03 | N04 | C05 | H051 | 174.7° | 179.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
