1GO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | S17 | sing | 1.76Å | 1.72Å | Aromatic |
| C16 | C15 | doub | 1.33Å | 1.39Å | Aromatic |
| S17 | C13 | sing | 1.76Å | 1.71Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.33Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.48Å | |
| C12 | C10 | sing | 1.51Å | 1.47Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | N09 | sing | 1.35Å | 1.41Å | |
| N09 | C08 | sing | 1.39Å | 1.42Å | |
| C08 | N07 | doub | 1.30Å | 1.33Å | Aromatic |
| C08 | S18 | sing | 1.71Å | 1.73Å | Aromatic |
| N07 | N06 | sing | 1.26Å | 1.35Å | Aromatic |
| S18 | C05 | sing | 1.76Å | 1.72Å | Aromatic |
| N06 | C05 | doub | 1.30Å | 1.34Å | Aromatic |
| C05 | S02 | sing | 1.76Å | 1.74Å | |
| N01 | S02 | sing | 1.66Å | 1.63Å | |
| O04 | S02 | doub | 1.42Å | 1.45Å | |
| S02 | O03 | doub | 1.42Å | 1.45Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| N01 | H3 | sing | 0.97Å | 1.00Å | |
| N09 | H4 | sing | 0.97Å | 1.00Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S17 | C16 | C15 | 107.1° | 109.6° |
| C16 | S17 | C13 | 95.4° | 91.0° |
| S17 | C16 | H8 | 126.5° | 125.2° |
| C16 | C15 | C14 | 116.4° | 114.9° |
| C16 | C15 | H1 | 121.8° | 122.5° |
| C15 | C16 | H8 | 126.4° | 125.2° |
| S17 | C13 | C14 | 109.2° | 109.6° |
| S17 | C13 | C12 | 122.7° | 125.2° |
| C15 | C14 | C13 | 112.0° | 114.9° |
| C14 | C15 | H1 | 121.8° | 122.6° |
| C15 | C14 | H7 | 124.0° | 122.5° |
| C14 | C13 | C12 | 128.2° | 125.2° |
| C13 | C14 | H7 | 124.0° | 122.6° |
| C13 | C12 | C10 | 112.2° | 109.5° |
| C13 | C12 | H5 | 108.8° | 109.5° |
| C13 | C12 | H6 | 108.8° | 109.4° |
| C12 | C10 | O11 | 118.9° | 120.0° |
| C12 | C10 | N09 | 118.9° | 120.0° |
| C10 | C12 | H5 | 108.8° | 109.5° |
| C10 | C12 | H6 | 108.8° | 109.5° |
| O11 | C10 | N09 | 122.2° | 120.0° |
| C10 | N09 | C08 | 119.7° | 120.0° |
| C10 | N09 | H4 | 120.2° | 120.0° |
| N09 | C08 | N07 | 122.2° | 125.7° |
| N09 | C08 | S18 | 128.8° | 125.6° |
| C08 | N09 | H4 | 120.2° | 120.0° |
| N07 | C08 | S18 | 109.0° | 108.7° |
| C08 | N07 | N06 | 115.5° | 117.7° |
| C08 | S18 | C05 | 91.6° | 89.4° |
| N07 | N06 | C05 | 114.4° | 116.6° |
| S18 | C05 | N06 | 109.6° | 107.7° |
| S18 | C05 | S02 | 126.9° | 126.2° |
| N06 | C05 | S02 | 123.5° | 126.1° |
| C05 | S02 | N01 | 108.5° | 107.2° |
| C05 | S02 | O04 | 106.2° | 106.4° |
| C05 | S02 | O03 | 108.6° | 106.4° |
| N01 | S02 | O04 | 112.5° | 106.4° |
| N01 | S02 | O03 | 111.4° | 106.4° |
| S02 | N01 | H2 | 109.5° | 120.1° |
| S02 | N01 | H3 | 109.5° | 120.0° |
| O04 | S02 | O03 | 109.5° | 123.2° |
| H2 | N01 | H3 | 109.5° | 120.0° |
| H5 | C12 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S17 | C16 | C15 | H8 | 180.0° | 179.7° |
| S17 | C16 | C15 | C14 | 0.3° | 0.4° |
| C16 | S17 | C13 | C14 | 0.3° | 0.0° |
| C16 | S17 | C13 | C12 | 179.9° | 179.7° |
| S17 | C16 | C15 | H1 | 179.7° | 180.0° |
| C15 | C16 | S17 | C13 | 0.0° | 0.3° |
| C16 | C15 | C14 | H1 | 180.0° | 179.6° |
| C16 | C15 | C14 | C13 | 0.5° | 0.4° |
| C16 | C15 | C14 | H7 | 179.5° | 179.5° |
| S17 | C13 | C14 | C15 | 0.5° | 0.2° |
| S17 | C13 | C14 | C12 | 179.8° | 179.8° |
| S17 | C13 | C12 | C10 | 89.4° | 90.3° |
| S17 | C13 | C12 | H5 | 31.1° | 149.7° |
| S17 | C13 | C12 | H6 | 150.2° | 29.7° |
| S17 | C13 | C14 | H7 | 179.5° | 179.8° |
| C13 | S17 | C16 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.7° | 180.0° |
| C14 | C15 | C16 | H8 | 179.7° | 179.8° |
| C14 | C13 | C12 | C10 | 90.4° | 90.0° |
| C13 | C14 | C15 | H1 | 179.5° | 180.0° |
| C14 | C13 | C12 | H5 | 149.1° | 30.0° |
| C14 | C13 | C12 | H6 | 30.0° | 150.0° |
| C13 | C12 | C10 | H5 | 120.4° | 120.0° |
| C13 | C12 | C10 | H6 | 120.4° | 120.0° |
| C13 | C12 | C10 | O11 | 28.5° | 0.0° |
| C13 | C12 | C10 | N09 | 151.8° | 179.8° |
| C13 | C12 | H5 | H6 | 118.8° | 120.0° |
| C12 | C13 | C14 | H7 | 0.3° | 0.0° |
| C12 | C10 | O11 | N09 | 179.6° | 179.7° |
| C12 | C10 | N09 | C08 | 179.7° | 179.7° |
| C12 | C10 | N09 | H4 | 0.3° | 0.2° |
| C10 | C12 | H5 | H6 | 118.8° | 120.0° |
| O11 | C10 | N09 | C08 | 0.7° | 0.0° |
| O11 | C10 | N09 | H4 | 179.4° | 180.0° |
| O11 | C10 | C12 | H5 | 148.9° | 120.0° |
| O11 | C10 | C12 | H6 | 91.9° | 120.0° |
| C10 | N09 | C08 | H4 | 180.0° | 180.0° |
| C10 | N09 | C08 | N07 | 176.9° | 0.0° |
| C10 | N09 | C08 | S18 | 2.5° | 179.7° |
| N09 | C10 | C12 | H5 | 31.4° | 59.7° |
| N09 | C10 | C12 | H6 | 87.7° | 60.3° |
| N09 | C08 | N07 | S18 | 179.5° | 179.7° |
| N09 | C08 | N07 | N06 | 179.9° | 179.9° |
| N09 | C08 | S18 | C05 | 179.6° | 180.0° |
| N07 | C08 | S18 | C05 | 0.2° | 0.3° |
| C08 | N07 | N06 | C05 | 0.5° | 0.0° |
| N07 | C08 | N09 | H4 | 3.1° | 179.9° |
| S18 | C08 | N07 | N06 | 0.4° | 0.2° |
| C08 | S18 | C05 | N06 | 0.0° | 0.3° |
| C08 | S18 | C05 | S02 | 179.9° | 179.9° |
| S18 | C08 | N09 | H4 | 177.5° | 0.3° |
| N07 | N06 | C05 | S18 | 0.3° | 0.3° |
| N07 | N06 | C05 | S02 | 179.7° | 180.0° |
| S18 | C05 | N06 | S02 | 180.0° | 179.8° |
| S18 | C05 | S02 | N01 | 121.8° | 90.3° |
| S18 | C05 | S02 | O04 | 0.6° | 23.3° |
| S18 | C05 | S02 | O03 | 117.1° | 156.2° |
| N06 | C05 | S02 | N01 | 58.2° | 90.0° |
| N06 | C05 | S02 | O04 | 179.4° | 156.4° |
| N06 | C05 | S02 | O03 | 63.0° | 23.5° |
| C05 | S02 | N01 | O04 | 117.2° | 113.5° |
| C05 | S02 | N01 | O03 | 119.4° | 113.5° |
| C05 | S02 | O04 | O03 | 117.0° | 123.0° |
| C05 | S02 | N01 | H2 | 180.0° | 0.0° |
| C05 | S02 | N01 | H3 | 60.0° | 180.0° |
| N01 | S02 | O04 | O03 | 124.4° | 122.9° |
| S02 | N01 | H2 | H3 | 120.0° | 180.0° |
| O04 | S02 | N01 | H2 | 62.8° | 113.5° |
| O04 | S02 | N01 | H3 | 57.2° | 66.5° |
| O03 | S02 | N01 | H2 | 60.6° | 113.5° |
| O03 | S02 | N01 | H3 | 179.4° | 66.5° |
| H1 | C15 | C14 | H7 | 0.5° | 0.0° |
| H1 | C15 | C16 | H8 | 0.3° | 0.3° |
