A1CIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.36Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.46Å | 1.40Å | Aromatic |
| C04 | C03 | doub | 1.34Å | 1.34Å | Aromatic |
| C05 | C10 | sing | 1.41Å | 1.35Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | N02 | sing | 1.37Å | 1.35Å | Aromatic |
| C10 | N02 | sing | 1.38Å | 1.33Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.33Å | Aromatic |
| C08 | C11 | sing | 1.48Å | 1.43Å | |
| N02 | C01 | sing | 1.47Å | 1.43Å | |
| C16 | N15 | sing | 1.47Å | 1.40Å | |
| C16 | C11 | sing | 1.50Å | 1.49Å | |
| N15 | C14 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | doub | 1.32Å | 1.28Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.50Å | 1.50Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| N15 | H16 | sing | 1.01Å | 1.00Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C06 | C07 | 121.6° | 120.0° |
| C06 | C05 | C04 | 137.1° | 133.8° |
| C06 | C05 | C10 | 117.2° | 120.1° |
| C05 | C06 | H8 | 119.2° | 120.1° |
| C06 | C07 | C08 | 119.7° | 120.3° |
| C07 | C06 | H8 | 119.2° | 119.9° |
| C06 | C07 | H9 | 120.2° | 119.8° |
| C05 | C04 | C03 | 107.5° | 107.0° |
| C04 | C05 | C10 | 105.7° | 106.0° |
| C05 | C04 | H7 | 126.2° | 126.5° |
| C04 | C03 | N02 | 108.7° | 110.0° |
| C04 | C03 | H6 | 125.7° | 125.0° |
| C03 | C04 | H7 | 126.3° | 126.5° |
| C05 | C10 | N02 | 110.1° | 107.1° |
| C05 | C10 | C09 | 120.0° | 119.5° |
| C07 | C08 | C09 | 117.1° | 120.4° |
| C07 | C08 | C11 | 121.5° | 119.8° |
| C08 | C07 | H9 | 120.1° | 119.8° |
| C03 | N02 | C10 | 108.1° | 109.9° |
| C03 | N02 | C01 | 125.5° | 125.1° |
| N02 | C03 | H6 | 125.6° | 125.1° |
| N02 | C10 | C09 | 129.9° | 133.4° |
| C10 | N02 | C01 | 126.4° | 125.0° |
| C10 | C09 | C08 | 124.4° | 119.7° |
| C10 | C09 | H10 | 117.8° | 120.1° |
| C09 | C08 | C11 | 121.4° | 119.8° |
| C08 | C09 | H10 | 117.8° | 120.2° |
| C08 | C11 | C16 | 113.0° | 118.4° |
| C08 | C11 | C12 | 123.9° | 118.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.4° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N15 | C16 | C11 | 110.9° | 110.2° |
| C16 | N15 | C14 | 114.1° | 110.3° |
| C16 | N15 | H16 | 108.3° | 111.0° |
| N15 | C16 | H18 | 109.1° | 109.3° |
| N15 | C16 | H19 | 109.1° | 109.3° |
| C16 | C11 | C12 | 112.2° | 123.1° |
| C11 | C16 | H18 | 109.1° | 109.3° |
| C11 | C16 | H19 | 109.1° | 109.4° |
| N15 | C14 | C13 | 110.9° | 108.5° |
| N15 | C14 | H14 | 109.1° | 109.6° |
| N15 | C14 | H15 | 109.1° | 109.8° |
| C14 | N15 | H16 | 108.3° | 111.0° |
| C11 | C12 | C13 | 116.5° | 122.7° |
| C11 | C12 | H12 | 121.7° | 118.6° |
| C14 | C13 | C12 | 108.9° | 109.7° |
| C14 | C13 | H1 | 109.6° | 109.4° |
| C14 | C13 | H2 | 109.6° | 109.4° |
| C13 | C14 | H14 | 109.1° | 109.7° |
| C13 | C14 | H15 | 109.1° | 109.6° |
| C12 | C13 | H1 | 109.6° | 109.4° |
| C12 | C13 | H2 | 109.6° | 109.4° |
| C13 | C12 | H12 | 121.8° | 118.7° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.6° |
| H18 | C16 | H19 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C06 | C05 | C04 | C10 | 177.9° | 179.6° |
| C06 | C05 | C04 | C03 | 178.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C06 | C05 | C10 | N02 | 178.7° | 179.9° |
| C06 | C05 | C10 | C09 | 1.1° | 0.2° |
| C06 | C05 | C04 | H7 | 2.0° | 0.4° |
| C05 | C06 | C07 | H9 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 178.5° | 180.0° |
| C07 | C06 | C05 | C10 | 0.8° | 0.5° |
| C06 | C07 | C08 | H9 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.9° |
| C06 | C07 | C08 | C11 | 178.3° | 180.0° |
| C05 | C04 | C03 | H7 | 180.0° | 179.6° |
| C05 | C04 | C03 | N02 | 0.2° | 0.3° |
| C04 | C05 | C10 | N02 | 0.4° | 0.4° |
| C04 | C05 | C10 | C09 | 179.5° | 179.8° |
| C05 | C04 | C03 | H6 | 179.8° | 179.8° |
| C04 | C05 | C06 | H8 | 1.5° | 0.0° |
| C03 | C04 | C05 | C10 | 0.1° | 0.5° |
| C04 | C03 | N02 | H6 | 180.0° | 179.9° |
| C04 | C03 | N02 | C10 | 0.5° | 0.0° |
| C04 | C03 | N02 | C01 | 179.8° | 180.0° |
| C05 | C10 | N02 | C03 | 0.5° | 0.3° |
| C05 | C10 | N02 | C09 | 179.9° | 179.7° |
| C05 | C10 | C09 | C08 | 0.9° | 0.7° |
| C05 | C10 | N02 | C01 | 179.8° | 179.7° |
| C10 | C05 | C04 | H7 | 179.9° | 180.0° |
| C10 | C05 | C06 | H8 | 179.2° | 179.5° |
| C05 | C10 | C09 | H10 | 179.1° | 179.6° |
| C07 | C08 | C09 | C10 | 0.1° | 1.2° |
| C07 | C08 | C09 | C11 | 178.6° | 179.1° |
| C07 | C08 | C11 | C16 | 60.3° | 64.9° |
| C07 | C08 | C11 | C12 | 158.5° | 115.1° |
| C08 | C07 | C06 | H8 | 180.0° | 179.9° |
| C07 | C08 | C09 | H10 | 179.9° | 179.8° |
| C03 | N02 | C10 | C01 | 179.7° | 180.0° |
| C03 | N02 | C10 | C09 | 179.4° | 180.0° |
| C03 | N02 | C01 | H3 | 180.0° | 90.0° |
| C03 | N02 | C01 | H4 | 60.0° | 30.1° |
| C03 | N02 | C01 | H5 | 60.0° | 150.0° |
| N02 | C03 | C04 | H7 | 179.8° | 179.9° |
| N02 | C10 | C09 | C08 | 179.0° | 179.0° |
| C10 | N02 | C01 | H3 | 0.4° | 90.0° |
| C10 | N02 | C01 | H4 | 119.7° | 150.0° |
| C10 | N02 | C01 | H5 | 120.3° | 30.1° |
| C10 | N02 | C03 | H6 | 179.6° | 179.9° |
| N02 | C10 | C09 | H10 | 1.0° | 0.0° |
| C10 | C09 | C08 | H10 | 180.0° | 178.9° |
| C10 | C09 | C08 | C11 | 178.7° | 179.7° |
| C09 | C10 | N02 | C01 | 0.3° | 0.0° |
| C09 | C08 | C11 | C16 | 121.1° | 114.2° |
| C09 | C08 | C11 | C12 | 20.1° | 65.9° |
| C09 | C08 | C07 | H9 | 179.7° | 179.1° |
| C08 | C11 | C16 | N15 | 148.5° | 162.9° |
| C08 | C11 | C16 | C12 | 145.8° | 180.0° |
| C08 | C11 | C12 | C13 | 173.4° | 179.6° |
| C11 | C08 | C07 | H9 | 1.7° | 0.1° |
| C11 | C08 | C09 | H10 | 1.3° | 0.8° |
| C08 | C11 | C12 | H12 | 6.6° | 0.3° |
| C08 | C11 | C16 | H18 | 91.3° | 76.9° |
| C08 | C11 | C16 | H19 | 28.2° | 42.7° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | N02 | C03 | H6 | 0.2° | 0.1° |
| N15 | C16 | C11 | H18 | 120.2° | 120.1° |
| N15 | C16 | C11 | H19 | 120.2° | 120.2° |
| C16 | N15 | C14 | H16 | 120.7° | 123.4° |
| N15 | C16 | C11 | C12 | 65.7° | 17.0° |
| C16 | N15 | C14 | C13 | 24.5° | 69.3° |
| C16 | N15 | C14 | H14 | 95.7° | 171.0° |
| C16 | N15 | C14 | H15 | 144.7° | 50.5° |
| N15 | C16 | H18 | H19 | 119.4° | 119.6° |
| C11 | C16 | N15 | C14 | 32.7° | 51.2° |
| C16 | C11 | C12 | C13 | 32.0° | 0.3° |
| C16 | C11 | C12 | H12 | 148.0° | 179.7° |
| C11 | C16 | N15 | H16 | 87.9° | 174.6° |
| C11 | C16 | H18 | H19 | 119.4° | 119.7° |
| N15 | C14 | C13 | H14 | 120.2° | 119.7° |
| N15 | C14 | C13 | H15 | 120.2° | 119.9° |
| N15 | C14 | C13 | C12 | 55.6° | 49.2° |
| N15 | C14 | C13 | H1 | 175.5° | 70.9° |
| N15 | C14 | C13 | H2 | 64.3° | 169.2° |
| N15 | C14 | H14 | H15 | 119.4° | 120.5° |
| C14 | N15 | C16 | H18 | 87.5° | 69.0° |
| C14 | N15 | C16 | H19 | 152.9° | 171.4° |
| C11 | C12 | C13 | C14 | 25.8° | 16.6° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | H1 | 145.7° | 103.5° |
| C11 | C12 | C13 | H2 | 94.1° | 136.6° |
| C12 | C11 | C16 | H18 | 54.5° | 103.1° |
| C12 | C11 | C16 | H19 | 174.0° | 137.3° |
| C14 | C13 | C12 | H1 | 119.9° | 120.1° |
| C14 | C13 | C12 | H2 | 119.9° | 120.0° |
| C14 | C13 | H1 | H2 | 120.3° | 119.9° |
| C14 | C13 | C12 | H12 | 154.2° | 163.5° |
| C13 | C14 | H14 | H15 | 119.3° | 120.4° |
| C13 | C14 | N15 | H16 | 145.2° | 167.3° |
| C12 | C13 | H1 | H2 | 120.2° | 119.9° |
| C12 | C13 | C14 | H14 | 64.7° | 168.9° |
| C12 | C13 | C14 | H15 | 175.8° | 70.7° |
| H1 | C13 | C12 | H12 | 34.3° | 76.4° |
| H1 | C13 | C14 | H14 | 55.2° | 48.8° |
| H1 | C13 | C14 | H15 | 64.3° | 169.3° |
| H2 | C13 | C12 | H12 | 85.9° | 43.5° |
| H2 | C13 | C14 | H14 | 175.4° | 71.1° |
| H2 | C13 | C14 | H15 | 55.9° | 49.4° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C03 | C04 | H7 | 0.2° | 0.2° |
| H8 | C06 | C07 | H9 | 0.1° | 0.0° |
| H14 | C14 | N15 | H16 | 25.0° | 47.5° |
| H15 | C14 | N15 | H16 | 94.6° | 72.9° |
| H16 | N15 | C16 | H18 | 151.8° | 54.4° |
| H16 | N15 | C16 | H19 | 32.3° | 65.1° |
