GP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | doub | 1.30Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | C1 | sing | 1.38Å | 1.33Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.48Å | 1.40Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N3 | sing | 1.40Å | 1.36Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N3 | C8 | sing | 1.35Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C8 | O1 | doub | 1.21Å | 1.24Å | |
| C8 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C9 | sing | 1.40Å | 1.34Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | CL | sing | 1.74Å | 1.72Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN1 | 53.4° | 120.0° |
| N1 | C1 | N2 | 119.1° | 120.0° |
| N1 | C1 | C2 | 120.9° | 120.0° |
| C1 | N2 | HN21 | 119.2° | 120.0° |
| C1 | N2 | HN22 | 108.8° | 120.0° |
| N2 | C1 | C2 | 119.2° | 120.0° |
| HN21 | N2 | HN22 | 108.7° | 120.0° |
| C1 | C2 | C3 | 122.0° | 120.1° |
| C1 | C2 | C7 | 120.7° | 120.1° |
| C3 | C2 | C7 | 117.3° | 119.8° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | H3 | 119.3° | 120.0° |
| C2 | C7 | C6 | 121.9° | 120.0° |
| C2 | C7 | H7 | 119.0° | 120.0° |
| C4 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C3 | C4 | H4 | 119.5° | 119.9° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 118.3° | 120.2° |
| C4 | C5 | N3 | 122.4° | 119.9° |
| C6 | C5 | N3 | 119.2° | 119.9° |
| C5 | C6 | C7 | 120.4° | 120.1° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C5 | N3 | C8 | 125.1° | 119.9° |
| C5 | N3 | HN3 | 106.7° | 120.0° |
| C7 | C6 | H6 | 119.8° | 119.9° |
| C6 | C7 | H7 | 119.1° | 120.0° |
| C8 | N3 | HN3 | 106.7° | 120.0° |
| N3 | C8 | O1 | 123.5° | 120.1° |
| N3 | C8 | N4 | 114.2° | 119.9° |
| O1 | C8 | N4 | 122.2° | 120.0° |
| C8 | N4 | C9 | 127.5° | 120.0° |
| C8 | N4 | HN4 | 116.0° | 120.1° |
| C9 | N4 | HN4 | 116.5° | 119.9° |
| N4 | C9 | C10 | 118.9° | 120.0° |
| N4 | C9 | C14 | 122.1° | 120.1° |
| C10 | C9 | C14 | 119.0° | 119.9° |
| C9 | C10 | C11 | 120.5° | 119.9° |
| C9 | C10 | H10 | 119.7° | 120.0° |
| C9 | C14 | C13 | 120.6° | 119.9° |
| C9 | C14 | H14 | 119.8° | 120.0° |
| C11 | C10 | H10 | 119.8° | 120.1° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.1° | 119.9° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C11 | C12 | CL | 121.4° | 119.9° |
| C13 | C12 | CL | 118.6° | 119.9° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C14 | C13 | H13 | 120.2° | 120.0° |
| C13 | C14 | H14 | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C2 | 170.0° | 180.0° |
| N1 | C1 | N2 | HN21 | 179.9° | 0.0° |
| N1 | C1 | N2 | HN22 | 54.7° | 179.8° |
| N1 | C1 | C2 | C3 | 2.1° | 0.1° |
| N1 | C1 | C2 | C7 | 176.8° | 179.8° |
| HN1 | N1 | C1 | N2 | 175.0° | 179.9° |
| HN1 | N1 | C1 | C2 | 15.1° | 0.0° |
| C1 | N2 | HN21 | HN22 | 125.3° | 179.8° |
| N2 | C1 | C2 | C3 | 167.7° | 180.0° |
| N2 | C1 | C2 | C7 | 13.3° | 0.2° |
| HN21 | N2 | C1 | C2 | 9.9° | 179.9° |
| HN22 | N2 | C1 | C2 | 115.3° | 0.3° |
| C1 | C2 | C3 | C7 | 179.0° | 179.8° |
| C1 | C2 | C3 | C4 | 178.9° | 180.0° |
| C1 | C2 | C3 | H3 | 1.1° | 0.0° |
| C1 | C2 | C7 | C6 | 178.9° | 179.7° |
| C1 | C2 | C7 | H7 | 1.2° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.5° |
| C3 | C2 | C7 | H7 | 179.8° | 180.0° |
| C7 | C2 | C3 | C4 | 0.0° | 0.2° |
| C7 | C2 | C3 | H3 | 179.9° | 179.8° |
| C2 | C7 | C6 | C5 | 0.2° | 0.5° |
| C2 | C7 | C6 | H7 | 179.9° | 179.5° |
| C2 | C7 | C6 | H6 | 179.8° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | N3 | 179.3° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | N3 | 179.5° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C4 | C5 | N3 | C8 | 52.6° | 33.2° |
| C4 | C5 | N3 | HN3 | 177.8° | 146.8° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | N3 | 0.6° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | C5 | N3 | C8 | 126.9° | 146.9° |
| C6 | C5 | N3 | HN3 | 1.7° | 33.2° |
| N3 | C5 | C6 | C7 | 179.3° | 179.7° |
| N3 | C5 | C6 | H6 | 0.7° | 0.0° |
| C5 | N3 | C8 | HN3 | 125.2° | 180.0° |
| C5 | N3 | C8 | O1 | 3.5° | 5.4° |
| C5 | N3 | C8 | N4 | 176.5° | 174.5° |
| H6 | C6 | C7 | H7 | 0.2° | 0.3° |
| N3 | C8 | O1 | N4 | 180.0° | 179.9° |
| N3 | C8 | N4 | C9 | 167.8° | 174.6° |
| N3 | C8 | N4 | HN4 | 12.2° | 5.3° |
| HN3 | N3 | C8 | O1 | 128.7° | 174.7° |
| HN3 | N3 | C8 | N4 | 51.3° | 5.4° |
| O1 | C8 | N4 | C9 | 12.2° | 5.5° |
| O1 | C8 | N4 | HN4 | 167.8° | 174.6° |
| C8 | N4 | C9 | HN4 | 180.0° | 179.9° |
| C8 | N4 | C9 | C10 | 152.6° | 32.7° |
| C8 | N4 | C9 | C14 | 27.9° | 147.6° |
| N4 | C9 | C10 | C14 | 179.5° | 179.7° |
| N4 | C9 | C10 | C11 | 178.5° | 180.0° |
| N4 | C9 | C10 | H10 | 1.5° | 0.0° |
| N4 | C9 | C14 | C13 | 178.7° | 179.7° |
| N4 | C9 | C14 | H14 | 1.3° | 0.3° |
| HN4 | N4 | C9 | C10 | 27.4° | 147.2° |
| HN4 | N4 | C9 | C14 | 152.1° | 32.5° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C9 | C10 | C11 | H11 | 179.4° | 180.0° |
| C10 | C9 | C14 | C13 | 0.7° | 0.6° |
| C10 | C9 | C14 | H14 | 179.3° | 180.0° |
| C14 | C9 | C10 | C11 | 1.0° | 0.3° |
| C14 | C9 | C10 | H10 | 179.0° | 179.8° |
| C9 | C14 | C13 | C12 | 0.2° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.4° |
| C9 | C14 | C13 | H13 | 179.8° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | CL | 179.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.3° | 180.0° |
| H10 | C10 | C11 | H11 | 0.7° | 0.1° |
| C11 | C12 | C13 | CL | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| H11 | C11 | C12 | C13 | 179.9° | 180.0° |
| H11 | C11 | C12 | CL | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| CL | C12 | C13 | C14 | 179.9° | 179.7° |
| CL | C12 | C13 | H13 | 0.2° | 0.0° |
| H13 | C13 | C14 | H14 | 0.2° | 0.3° |
