G1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| N19 | C20 | doub | 1.32Å | 1.43Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | S10 | sing | 1.76Å | 1.86Å | |
| O12 | S10 | doub | 1.42Å | 1.50Å | |
| S10 | N9 | sing | 1.66Å | 1.69Å | |
| S10 | O11 | doub | 1.42Å | 1.53Å | |
| N9 | C5 | sing | 1.38Å | 1.32Å | |
| O25 | C6 | doub | 1.22Å | 1.29Å | |
| C5 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C6 | C4 | sing | 1.46Å | 1.38Å | |
| C6 | O24 | sing | 1.35Å | 1.29Å | |
| C4 | N3 | sing | 1.34Å | 1.39Å | Aromatic |
| S1 | C2 | sing | 1.76Å | 1.73Å | Aromatic |
| N3 | C2 | doub | 1.28Å | 1.33Å | Aromatic |
| O24 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N9 | H3 | sing | 0.97Å | 1.00Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 121.2° | 119.2° |
| C17 | C18 | N19 | 120.9° | 120.8° |
| C18 | C17 | H5 | 119.3° | 120.4° |
| C17 | C18 | H6 | 119.5° | 119.6° |
| C17 | C16 | C15 | 119.6° | 118.4° |
| C17 | C16 | H4 | 120.2° | 120.8° |
| C16 | C17 | H5 | 119.4° | 120.4° |
| C18 | N19 | C20 | 117.1° | 121.7° |
| N19 | C18 | H6 | 119.5° | 119.6° |
| C16 | C15 | C20 | 118.4° | 119.1° |
| C16 | C15 | S10 | 123.5° | 120.4° |
| C15 | C16 | H4 | 120.2° | 120.8° |
| N19 | C20 | C15 | 122.6° | 120.8° |
| N19 | C20 | H7 | 118.7° | 119.6° |
| C20 | C15 | S10 | 117.8° | 120.4° |
| C15 | C20 | H7 | 118.7° | 119.6° |
| C15 | S10 | O12 | 104.3° | 106.4° |
| C15 | S10 | N9 | 119.5° | 107.2° |
| C15 | S10 | O11 | 110.7° | 106.4° |
| O12 | S10 | N9 | 104.2° | 106.4° |
| O12 | S10 | O11 | 105.3° | 123.1° |
| N9 | S10 | O11 | 111.3° | 106.4° |
| S10 | N9 | C5 | 121.6° | 120.0° |
| S10 | N9 | H3 | 106.4° | 120.0° |
| N9 | C5 | C4 | 127.5° | 126.1° |
| N9 | C5 | S1 | 124.0° | 126.0° |
| C5 | N9 | H3 | 106.4° | 120.0° |
| O25 | C6 | C4 | 124.1° | 120.0° |
| O25 | C6 | O24 | 115.3° | 120.0° |
| C4 | C5 | S1 | 108.5° | 107.9° |
| C5 | C4 | C6 | 123.8° | 122.9° |
| C5 | C4 | N3 | 111.5° | 114.3° |
| C5 | S1 | C2 | 94.7° | 90.3° |
| C4 | C6 | O24 | 120.1° | 120.0° |
| C6 | C4 | N3 | 124.2° | 122.9° |
| C6 | O24 | H1 | 109.5° | 114.0° |
| C4 | N3 | C2 | 119.6° | 117.4° |
| S1 | C2 | N3 | 105.5° | 110.2° |
| S1 | C2 | H2 | 127.3° | 124.9° |
| N3 | C2 | H2 | 127.3° | 124.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H5 | 180.0° | 179.9° |
| C17 | C18 | N19 | H6 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 1.8° | 0.1° |
| C17 | C18 | N19 | C20 | 1.2° | 0.1° |
| C18 | C17 | C16 | H4 | 178.2° | 180.0° |
| C16 | C17 | C18 | N19 | 0.3° | 0.1° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 2.8° | 0.0° |
| C17 | C16 | C15 | S10 | 177.2° | 179.7° |
| C16 | C17 | C18 | H6 | 179.7° | 180.0° |
| C18 | N19 | C20 | C15 | 0.1° | 0.1° |
| N19 | C18 | C17 | H5 | 179.7° | 180.0° |
| C18 | N19 | C20 | H7 | 179.9° | 179.8° |
| C16 | C15 | C20 | N19 | 1.9° | 0.0° |
| C16 | C15 | C20 | S10 | 174.7° | 179.7° |
| C16 | C15 | S10 | O12 | 60.2° | 156.7° |
| C16 | C15 | S10 | N9 | 55.7° | 89.7° |
| C16 | C15 | S10 | O11 | 173.0° | 23.8° |
| C15 | C16 | C17 | H5 | 178.2° | 180.0° |
| C16 | C15 | C20 | H7 | 178.0° | 179.7° |
| N19 | C20 | C15 | H7 | 180.0° | 179.7° |
| N19 | C20 | C15 | S10 | 176.6° | 179.7° |
| C20 | N19 | C18 | H6 | 178.8° | 180.0° |
| C20 | C15 | S10 | O12 | 114.2° | 23.6° |
| C20 | C15 | S10 | N9 | 129.9° | 90.0° |
| C20 | C15 | S10 | O11 | 1.4° | 156.5° |
| C20 | C15 | C16 | H4 | 177.1° | 180.0° |
| C15 | S10 | O12 | N9 | 126.1° | 114.1° |
| C15 | S10 | O12 | O11 | 116.7° | 122.9° |
| C15 | S10 | N9 | O11 | 131.0° | 113.5° |
| C15 | S10 | N9 | C5 | 78.2° | 65.0° |
| C15 | S10 | N9 | H3 | 43.5° | 115.0° |
| S10 | C15 | C16 | H4 | 2.8° | 0.3° |
| S10 | C15 | C20 | H7 | 3.4° | 0.0° |
| O12 | S10 | N9 | O11 | 113.0° | 132.9° |
| O12 | S10 | N9 | C5 | 165.8° | 178.5° |
| O12 | S10 | N9 | H3 | 72.4° | 1.4° |
| S10 | N9 | C5 | H3 | 121.7° | 180.0° |
| S10 | N9 | C5 | C4 | 179.7° | 180.0° |
| S10 | N9 | C5 | S1 | 1.4° | 0.2° |
| O11 | S10 | N9 | C5 | 52.8° | 48.6° |
| O11 | S10 | N9 | H3 | 174.5° | 131.5° |
| N9 | C5 | C4 | S1 | 179.1° | 179.8° |
| N9 | C5 | C4 | C6 | 6.0° | 0.1° |
| N9 | C5 | C4 | N3 | 179.1° | 179.8° |
| N9 | C5 | S1 | C2 | 178.5° | 179.9° |
| O25 | C6 | C4 | C5 | 3.0° | 0.3° |
| O25 | C6 | C4 | O24 | 171.4° | 180.0° |
| O25 | C6 | C4 | N3 | 169.2° | 180.0° |
| O25 | C6 | O24 | H1 | 0.0° | 0.0° |
| C5 | C4 | C6 | N3 | 172.2° | 179.7° |
| C5 | C4 | C6 | O24 | 174.4° | 179.7° |
| C4 | C5 | S1 | C2 | 0.6° | 0.3° |
| C5 | C4 | N3 | C2 | 4.7° | 0.3° |
| C4 | C5 | N9 | H3 | 58.0° | 0.1° |
| S1 | C5 | C4 | C6 | 174.9° | 179.9° |
| S1 | C5 | C4 | N3 | 1.9° | 0.4° |
| C5 | S1 | C2 | N3 | 2.9° | 0.2° |
| C5 | S1 | C2 | H2 | 177.1° | 179.9° |
| S1 | C5 | N9 | H3 | 123.1° | 179.9° |
| C6 | C4 | N3 | C2 | 177.7° | 180.0° |
| C4 | C6 | O24 | H1 | 172.1° | 180.0° |
| O24 | C6 | C4 | N3 | 2.2° | 0.0° |
| C4 | N3 | C2 | S1 | 4.8° | 0.0° |
| C4 | N3 | C2 | H2 | 175.2° | 180.0° |
| S1 | C2 | N3 | H2 | 180.0° | 180.0° |
| H4 | C16 | C17 | H5 | 1.8° | 0.1° |
| H5 | C17 | C18 | H6 | 0.3° | 0.1° |
