2ZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C15 | doub | 1.22Å | 1.28Å | |
| C16 | N14 | sing | 1.47Å | 1.49Å | |
| C15 | N14 | sing | 1.35Å | 1.32Å | |
| C15 | C11 | sing | 1.48Å | 1.46Å | |
| N14 | C13 | sing | 1.37Å | 1.36Å | |
| C10 | C11 | doub | 1.38Å | 1.49Å | |
| C10 | C2 | sing | 1.47Å | 1.49Å | |
| C11 | N12 | sing | 1.37Å | 1.35Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N12 | doub | 1.30Å | 1.38Å | |
| C13 | C17 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.48Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.48Å | Aromatic |
| C4 | BR7 | sing | 1.89Å | 1.94Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C15 | N14 | 124.8° | 127.4° |
| O18 | C15 | C11 | 125.3° | 127.4° |
| C16 | N14 | C15 | 126.7° | 125.8° |
| C16 | N14 | C13 | 127.6° | 125.8° |
| N14 | C16 | H1 | 109.5° | 109.5° |
| N14 | C16 | H2 | 109.5° | 109.4° |
| N14 | C16 | H3 | 109.5° | 109.5° |
| N14 | C15 | C11 | 109.9° | 105.2° |
| C15 | N14 | C13 | 105.7° | 108.4° |
| C15 | C11 | C10 | 127.4° | 127.1° |
| C15 | C11 | N12 | 105.5° | 105.7° |
| N14 | C13 | N12 | 112.1° | 111.3° |
| N14 | C13 | C17 | 122.8° | 124.4° |
| C11 | C10 | C2 | 127.7° | 120.0° |
| C10 | C11 | N12 | 127.1° | 127.2° |
| C11 | C10 | H8 | 116.1° | 120.0° |
| C10 | C2 | C1 | 115.5° | 120.1° |
| C10 | C2 | C3 | 123.3° | 120.2° |
| C2 | C10 | H8 | 116.2° | 120.1° |
| C11 | N12 | C13 | 106.8° | 109.3° |
| C2 | C1 | C6 | 122.0° | 119.8° |
| C1 | C2 | C3 | 121.2° | 119.6° |
| C2 | C1 | H10 | 119.0° | 120.1° |
| C1 | C6 | C5 | 118.8° | 120.2° |
| C6 | C1 | H10 | 119.1° | 120.1° |
| C1 | C6 | H11 | 120.6° | 119.9° |
| N12 | C13 | C17 | 125.1° | 124.3° |
| C13 | C17 | H5 | 109.5° | 109.4° |
| C13 | C17 | H6 | 109.5° | 109.5° |
| C13 | C17 | H7 | 109.4° | 109.5° |
| C2 | C3 | C4 | 121.1° | 119.8° |
| C2 | C3 | H13 | 119.4° | 120.1° |
| C6 | C5 | C4 | 117.6° | 120.4° |
| C5 | C6 | H11 | 120.6° | 119.9° |
| C6 | C5 | H12 | 121.2° | 119.8° |
| C3 | C4 | C5 | 119.3° | 120.2° |
| C3 | C4 | BR7 | 120.5° | 119.9° |
| C4 | C3 | H13 | 119.4° | 120.1° |
| C5 | C4 | BR7 | 120.3° | 119.9° |
| C4 | C5 | H12 | 121.2° | 119.8° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H1 | C16 | H3 | 109.5° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H7 | 109.5° | 109.4° |
| H6 | C17 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C15 | N14 | C16 | 0.2° | 0.1° |
| O18 | C15 | N14 | C11 | 179.9° | 179.7° |
| O18 | C15 | N14 | C13 | 180.0° | 180.0° |
| O18 | C15 | C11 | C10 | 0.0° | 0.1° |
| O18 | C15 | C11 | N12 | 179.9° | 179.9° |
| C16 | N14 | C15 | C13 | 179.8° | 179.9° |
| C16 | N14 | C15 | C11 | 179.9° | 179.7° |
| C16 | N14 | C13 | N12 | 179.9° | 180.0° |
| C16 | N14 | C13 | C17 | 0.4° | 0.0° |
| N14 | C16 | H1 | H2 | 120.0° | 120.0° |
| N14 | C16 | H1 | H3 | 120.0° | 120.1° |
| N14 | C16 | H2 | H3 | 120.0° | 120.0° |
| N14 | C15 | C11 | C10 | 179.9° | 179.7° |
| N14 | C15 | C11 | N12 | 0.1° | 0.5° |
| C15 | N14 | C13 | N12 | 0.2° | 0.0° |
| C15 | N14 | C13 | C17 | 179.9° | 179.9° |
| C15 | N14 | C16 | H1 | 180.0° | 0.0° |
| C15 | N14 | C16 | H2 | 60.0° | 120.0° |
| C15 | N14 | C16 | H3 | 60.0° | 120.0° |
| C11 | C15 | N14 | C13 | 0.1° | 0.3° |
| C15 | C11 | C10 | N12 | 179.9° | 179.8° |
| C15 | C11 | C10 | C2 | 180.0° | 174.8° |
| C15 | C11 | N12 | C13 | 0.0° | 0.5° |
| C15 | C11 | C10 | H8 | 0.0° | 5.2° |
| N14 | C13 | N12 | C11 | 0.1° | 0.3° |
| N14 | C13 | N12 | C17 | 179.7° | 180.0° |
| C13 | N14 | C16 | H1 | 0.3° | 180.0° |
| C13 | N14 | C16 | H2 | 120.3° | 60.1° |
| C13 | N14 | C16 | H3 | 119.7° | 59.9° |
| N14 | C13 | C17 | H5 | 179.7° | 90.0° |
| N14 | C13 | C17 | H6 | 59.6° | 150.0° |
| N14 | C13 | C17 | H7 | 60.4° | 30.0° |
| C11 | C10 | C2 | H8 | 180.0° | 180.0° |
| C11 | C10 | C2 | C1 | 179.9° | 173.7° |
| C10 | C11 | N12 | C13 | 180.0° | 179.7° |
| C11 | C10 | C2 | C3 | 0.1° | 6.0° |
| C2 | C10 | C11 | N12 | 0.0° | 4.9° |
| C10 | C2 | C1 | C3 | 179.9° | 179.7° |
| C10 | C2 | C1 | C6 | 180.0° | 180.0° |
| C10 | C2 | C3 | C4 | 180.0° | 179.7° |
| C10 | C2 | C1 | H10 | 0.0° | 0.1° |
| C10 | C2 | C3 | H13 | 0.0° | 0.0° |
| C11 | N12 | C13 | C17 | 179.8° | 179.7° |
| N12 | C11 | C10 | H8 | 180.0° | 175.1° |
| C2 | C1 | C6 | H10 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.6° |
| C1 | C2 | C10 | H8 | 0.0° | 6.3° |
| C2 | C1 | C6 | H11 | 179.9° | 179.9° |
| C1 | C2 | C3 | H13 | 179.8° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C6 | C5 | H11 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H12 | 179.9° | 180.0° |
| N12 | C13 | C17 | H5 | 0.0° | 90.0° |
| N12 | C13 | C17 | H6 | 120.0° | 30.0° |
| N12 | C13 | C17 | H7 | 120.0° | 150.0° |
| C13 | C17 | H5 | H6 | 120.0° | 120.0° |
| C13 | C17 | H5 | H7 | 120.0° | 120.0° |
| C13 | C17 | H6 | H7 | 120.0° | 120.1° |
| C2 | C3 | C4 | H13 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C2 | C3 | C4 | BR7 | 179.9° | 179.7° |
| C3 | C2 | C10 | H8 | 179.9° | 174.0° |
| C3 | C2 | C1 | H10 | 179.9° | 179.8° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C6 | C5 | C4 | H12 | 180.0° | 180.0° |
| C6 | C5 | C4 | BR7 | 179.9° | 180.0° |
| C5 | C6 | C1 | H10 | 179.9° | 179.9° |
| C3 | C4 | C5 | BR7 | 179.9° | 179.8° |
| C3 | C4 | C5 | H12 | 179.9° | 179.8° |
| C4 | C5 | C6 | H11 | 179.9° | 180.0° |
| C5 | C4 | C3 | H13 | 179.8° | 179.8° |
| BR7 | C4 | C5 | H12 | 0.0° | 0.0° |
| BR7 | C4 | C3 | H13 | 0.1° | 0.0° |
| H1 | C16 | H2 | H3 | 120.0° | 120.0° |
| H5 | C17 | H6 | H7 | 120.0° | 120.0° |
| H10 | C1 | C6 | H11 | 0.1° | 0.0° |
| H11 | C6 | C5 | H12 | 0.1° | 0.1° |
