9G4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C17 | sing | 1.74Å | 1.75Å | |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O3 | sing | 1.36Å | 1.42Å | |
| O3 | C11 | sing | 1.35Å | 1.39Å | |
| C11 | C10 | doub | 1.38Å | 1.37Å | |
| C11 | C12 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.40Å | 1.42Å | |
| C9 | O1 | doub | 1.22Å | 1.23Å | |
| C9 | N1 | sing | 1.34Å | 1.41Å | |
| C12 | C13 | sing | 1.48Å | 1.48Å | |
| C12 | N2 | doub | 1.32Å | 1.32Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C13 | O2 | doub | 1.22Å | 1.24Å | |
| N2 | N1 | sing | 1.28Å | 1.40Å | |
| N1 | C6 | sing | 1.40Å | 1.43Å | |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | N | sing | 1.47Å | 1.46Å | |
| N | C1 | sing | 1.35Å | 1.34Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N3 | H31N | sing | 0.97Å | 1.00Å | |
| N3 | H32N | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C17 | C16 | 119.2° | 119.9° |
| CL | C17 | C18 | 119.3° | 120.0° |
| C16 | C17 | C18 | 121.4° | 120.1° |
| C17 | C16 | C15 | 119.3° | 120.0° |
| C17 | C16 | H16 | 120.3° | 120.0° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C17 | C18 | H18 | 120.4° | 119.9° |
| C16 | C15 | C14 | 119.8° | 120.0° |
| C15 | C16 | H16 | 120.3° | 120.0° |
| C16 | C15 | H15 | 120.1° | 120.0° |
| C15 | C14 | C19 | 120.3° | 119.9° |
| C15 | C14 | O3 | 119.7° | 120.1° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C18 | C19 | C14 | 119.9° | 120.0° |
| C19 | C18 | H18 | 120.3° | 120.0° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C19 | C14 | O3 | 120.0° | 120.0° |
| C14 | C19 | H19 | 120.0° | 120.0° |
| C14 | O3 | C11 | 119.0° | 118.0° |
| O3 | C11 | C10 | 125.0° | 121.3° |
| O3 | C11 | C12 | 114.9° | 121.3° |
| C10 | C11 | C12 | 120.0° | 117.4° |
| C11 | C10 | C9 | 122.3° | 117.8° |
| C11 | C10 | H10 | 118.9° | 121.1° |
| C11 | C12 | C13 | 124.2° | 120.4° |
| C11 | C12 | N2 | 119.2° | 119.3° |
| C10 | C9 | O1 | 126.1° | 119.9° |
| C10 | C9 | N1 | 113.3° | 120.3° |
| C9 | C10 | H10 | 118.9° | 121.2° |
| O1 | C9 | N1 | 120.6° | 119.9° |
| C9 | N1 | N2 | 125.7° | 122.9° |
| C9 | N1 | C6 | 121.1° | 118.6° |
| C13 | C12 | N2 | 116.6° | 120.3° |
| C12 | C13 | N3 | 116.7° | 120.1° |
| C12 | C13 | O2 | 120.7° | 120.0° |
| C12 | N2 | N1 | 119.2° | 122.3° |
| N3 | C13 | O2 | 122.6° | 120.0° |
| C13 | N3 | H31N | 120.0° | 120.0° |
| C13 | N3 | H32N | 120.0° | 120.0° |
| N2 | N1 | C6 | 113.2° | 118.6° |
| N1 | C6 | C5 | 120.2° | 120.1° |
| N1 | C6 | C7 | 120.3° | 120.1° |
| C5 | C6 | C7 | 119.4° | 119.8° |
| C6 | C5 | C4 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.1° |
| C6 | C7 | C8 | 119.9° | 119.9° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C5 | C4 | C3 | 121.2° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C4 | C3 | C8 | 118.3° | 120.2° |
| C4 | C3 | C2 | 120.7° | 119.9° |
| C3 | C4 | H4 | 119.4° | 119.9° |
| C7 | C8 | C3 | 121.1° | 120.1° |
| C8 | C7 | H7 | 120.1° | 120.1° |
| C7 | C8 | H8 | 119.4° | 119.9° |
| C8 | C3 | C2 | 121.0° | 119.9° |
| C3 | C8 | H8 | 119.4° | 120.0° |
| C3 | C2 | N | 112.0° | 109.5° |
| C3 | C2 | H21C | 108.8° | 109.5° |
| C3 | C2 | H22C | 108.8° | 109.4° |
| C2 | N | C1 | 123.8° | 120.0° |
| N | C2 | H21C | 108.9° | 109.5° |
| N | C2 | H22C | 108.9° | 109.4° |
| C2 | N | H | 118.1° | 120.0° |
| N | C1 | O | 122.0° | 120.0° |
| N | C1 | C | 116.3° | 120.0° |
| C1 | N | H | 118.1° | 120.1° |
| O | C1 | C | 121.8° | 120.0° |
| C1 | C | HC1 | 109.5° | 109.5° |
| C1 | C | HC2 | 109.5° | 109.5° |
| C1 | C | HC3 | 109.5° | 109.5° |
| H31N | N3 | H32N | 120.0° | 120.0° |
| H21C | C2 | H22C | 109.5° | 109.4° |
| HC1 | C | HC2 | 109.5° | 109.4° |
| HC1 | C | HC3 | 109.4° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C17 | C16 | C18 | 178.1° | 179.6° |
| CL | C17 | C16 | C15 | 177.9° | 180.0° |
| CL | C17 | C18 | C19 | 177.8° | 179.9° |
| CL | C17 | C16 | H16 | 2.1° | 0.1° |
| CL | C17 | C18 | H18 | 2.1° | 0.1° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.5° | 0.1° |
| C16 | C17 | C18 | C19 | 0.2° | 0.3° |
| C16 | C17 | C18 | H18 | 179.8° | 179.7° |
| C17 | C16 | C15 | H15 | 179.5° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.7° | 0.0° |
| C18 | C17 | C16 | H16 | 179.8° | 179.8° |
| C17 | C18 | C19 | H19 | 179.3° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 1.0° | 0.2° |
| C16 | C15 | C14 | O3 | 179.6° | 180.0° |
| C15 | C14 | C19 | C18 | 1.1° | 0.3° |
| C15 | C14 | C19 | O3 | 179.4° | 179.8° |
| C15 | C14 | O3 | C11 | 75.9° | 5.6° |
| C14 | C15 | C16 | H16 | 179.5° | 180.0° |
| C15 | C14 | C19 | H19 | 178.9° | 179.7° |
| C18 | C19 | C14 | H19 | 180.0° | 180.0° |
| C18 | C19 | C14 | O3 | 179.5° | 179.9° |
| C19 | C14 | O3 | C11 | 103.6° | 174.6° |
| C14 | C19 | C18 | H18 | 179.3° | 180.0° |
| C19 | C14 | C15 | H15 | 179.0° | 179.7° |
| C14 | O3 | C11 | C10 | 10.9° | 110.7° |
| C14 | O3 | C11 | C12 | 165.9° | 69.6° |
| O3 | C14 | C15 | H15 | 0.4° | 0.1° |
| O3 | C14 | C19 | H19 | 0.5° | 0.1° |
| O3 | C11 | C10 | C12 | 176.7° | 179.8° |
| O3 | C11 | C10 | C9 | 175.7° | 180.0° |
| O3 | C11 | C12 | C13 | 1.6° | 0.0° |
| O3 | C11 | C12 | N2 | 177.7° | 180.0° |
| O3 | C11 | C10 | H10 | 4.3° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | O1 | 175.4° | 180.0° |
| C11 | C10 | C9 | N1 | 5.7° | 0.0° |
| C10 | C11 | C12 | C13 | 178.6° | 179.8° |
| C10 | C11 | C12 | N2 | 5.3° | 0.2° |
| C12 | C11 | C10 | C9 | 7.7° | 0.2° |
| C11 | C12 | C13 | N2 | 176.2° | 180.0° |
| C11 | C12 | C13 | N3 | 117.0° | 180.0° |
| C11 | C12 | C13 | O2 | 61.5° | 0.0° |
| C11 | C12 | N2 | N1 | 1.3° | 0.0° |
| C12 | C11 | C10 | H10 | 172.4° | 179.8° |
| C10 | C9 | O1 | N1 | 178.8° | 180.0° |
| C10 | C9 | N1 | N2 | 1.6° | 0.3° |
| C10 | C9 | N1 | C6 | 177.1° | 180.0° |
| O1 | C9 | N1 | N2 | 179.4° | 179.7° |
| O1 | C9 | N1 | C6 | 1.8° | 0.0° |
| O1 | C9 | C10 | H10 | 4.6° | 0.0° |
| C9 | N1 | N2 | C12 | 0.4° | 0.3° |
| C9 | N1 | N2 | C6 | 178.8° | 179.8° |
| C9 | N1 | C6 | C5 | 120.6° | 130.9° |
| C9 | N1 | C6 | C7 | 64.6° | 49.3° |
| N1 | C9 | C10 | H10 | 174.3° | 180.0° |
| C12 | C13 | N3 | O2 | 178.4° | 180.0° |
| C13 | C12 | N2 | N1 | 177.7° | 180.0° |
| C12 | C13 | N3 | H31N | 178.5° | 0.0° |
| C12 | C13 | N3 | H32N | 1.6° | 180.0° |
| N2 | C12 | C13 | N3 | 66.8° | 0.0° |
| N2 | C12 | C13 | O2 | 114.7° | 180.0° |
| C12 | N2 | N1 | C6 | 179.2° | 179.9° |
| C13 | N3 | H31N | H32N | 180.0° | 180.0° |
| O2 | C13 | N3 | H31N | 0.0° | 180.0° |
| O2 | C13 | N3 | H32N | 180.0° | 0.0° |
| N2 | N1 | C6 | C5 | 60.5° | 48.8° |
| N2 | N1 | C6 | C7 | 114.3° | 130.9° |
| N1 | C6 | C5 | C7 | 174.9° | 179.8° |
| N1 | C6 | C5 | C4 | 177.4° | 180.0° |
| N1 | C6 | C7 | C8 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 2.6° | 0.0° |
| N1 | C6 | C7 | H7 | 0.0° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C7 | C8 | 5.1° | 0.2° |
| C5 | C6 | C7 | H7 | 174.9° | 179.8° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C7 | C6 | C5 | C4 | 2.5° | 0.2° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 4.8° | 0.0° |
| C7 | C6 | C5 | H5 | 177.5° | 179.7° |
| C6 | C7 | C8 | H8 | 175.1° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C8 | 0.8° | 0.2° |
| C5 | C4 | C3 | C2 | 177.5° | 180.0° |
| C4 | C3 | C8 | C7 | 1.8° | 0.2° |
| C4 | C3 | C8 | C2 | 176.6° | 179.8° |
| C4 | C3 | C2 | N | 110.0° | 90.0° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C4 | C3 | C8 | H8 | 178.1° | 179.7° |
| C4 | C3 | C2 | H21C | 10.4° | 150.0° |
| C4 | C3 | C2 | H22C | 129.6° | 30.0° |
| C7 | C8 | C3 | H8 | 180.0° | 180.0° |
| C7 | C8 | C3 | C2 | 174.8° | 180.0° |
| C8 | C3 | C2 | N | 66.5° | 89.8° |
| C3 | C8 | C7 | H7 | 175.2° | 180.0° |
| C8 | C3 | C4 | H4 | 179.2° | 179.7° |
| C8 | C3 | C2 | H21C | 173.1° | 30.3° |
| C8 | C3 | C2 | H22C | 53.9° | 150.3° |
| C3 | C2 | N | H21C | 120.3° | 120.1° |
| C3 | C2 | N | H22C | 120.4° | 119.9° |
| C3 | C2 | N | C1 | 86.9° | 180.0° |
| C2 | C3 | C4 | H4 | 2.6° | 0.0° |
| C2 | C3 | C8 | H8 | 5.3° | 0.0° |
| C3 | C2 | H21C | H22C | 118.8° | 120.0° |
| C3 | C2 | N | H | 93.1° | 0.1° |
| C2 | N | C1 | H | 180.0° | 179.9° |
| C2 | N | C1 | O | 0.2° | 0.0° |
| C2 | N | C1 | C | 179.3° | 180.0° |
| N | C2 | H21C | H22C | 118.9° | 120.0° |
| N | C1 | O | C | 179.1° | 180.0° |
| C1 | N | C2 | H21C | 152.7° | 59.9° |
| C1 | N | C2 | H22C | 33.4° | 60.0° |
| N | C1 | C | HC1 | 179.1° | 0.0° |
| N | C1 | C | HC2 | 59.1° | 120.0° |
| N | C1 | C | HC3 | 60.9° | 120.0° |
| O | C1 | N | H | 179.8° | 180.0° |
| O | C1 | C | HC1 | 0.0° | 180.0° |
| O | C1 | C | HC2 | 120.0° | 60.0° |
| O | C1 | C | HC3 | 120.0° | 60.0° |
| C | C1 | N | H | 0.7° | 0.0° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 120.1° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H16 | C16 | C15 | H15 | 0.5° | 0.1° |
| H18 | C18 | C19 | H19 | 0.7° | 0.1° |
| H5 | C5 | C4 | H4 | 0.4° | 0.0° |
| H7 | C7 | C8 | H8 | 4.9° | 0.0° |
| H21C | C2 | N | H | 27.3° | 120.0° |
| H22C | C2 | N | H | 146.6° | 120.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
