5CZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N35 | C34 | doub | 1.30Å | 1.42Å | |
| C34 | N38 | sing | 1.38Å | 1.26Å | |
| C34 | C32 | sing | 1.48Å | 1.50Å | |
| C32 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.36Å | 1.40Å | Aromatic |
| C33 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| C11 | N12 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.42Å | 1.43Å | Aromatic |
| N12 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C2 | sing | 1.48Å | 1.49Å | |
| C2 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O19 | sing | 1.36Å | 1.37Å | |
| O19 | C20 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C26 | sing | 1.48Å | 1.51Å | |
| C26 | N29 | doub | 1.30Å | 1.41Å | |
| C26 | N27 | sing | 1.38Å | 1.26Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| N29 | H7 | sing | 0.97Å | 1.00Å | |
| C30 | H8 | sing | 1.08Å | 1.08Å | |
| C31 | H9 | sing | 1.08Å | 1.08Å | |
| C33 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| N27 | H15 | sing | 0.97Å | 1.00Å | |
| N27 | H16 | sing | 0.97Å | 1.00Å | |
| N35 | H17 | sing | 0.97Å | 1.00Å | |
| N38 | H18 | sing | 0.97Å | 1.00Å | |
| N38 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N35 | C34 | N38 | 120.4° | 120.0° |
| N35 | C34 | C32 | 120.0° | 120.0° |
| C34 | N35 | H17 | 112.0° | 120.0° |
| N38 | C34 | C32 | 119.6° | 120.0° |
| C34 | N38 | H18 | 120.0° | 120.0° |
| C34 | N38 | H19 | 120.0° | 120.0° |
| C34 | C32 | C31 | 120.8° | 119.8° |
| C34 | C32 | C33 | 119.0° | 119.8° |
| C31 | C32 | C33 | 120.2° | 120.4° |
| C32 | C31 | C30 | 120.0° | 120.4° |
| C32 | C31 | H9 | 120.0° | 119.8° |
| C32 | C33 | C11 | 119.1° | 119.7° |
| C32 | C33 | H10 | 120.5° | 120.2° |
| C31 | C30 | C10 | 119.5° | 120.0° |
| C31 | C30 | H8 | 120.3° | 120.0° |
| C30 | C31 | H9 | 120.0° | 119.8° |
| C33 | C11 | C10 | 121.2° | 119.6° |
| C33 | C11 | N12 | 133.5° | 133.1° |
| C11 | C33 | H10 | 120.5° | 120.2° |
| C30 | C10 | C11 | 120.0° | 119.9° |
| C30 | C10 | C9 | 128.6° | 133.2° |
| C10 | C30 | H8 | 120.3° | 120.0° |
| C10 | C11 | N12 | 105.3° | 107.2° |
| C11 | C10 | C9 | 111.4° | 106.9° |
| C11 | N12 | C8 | 111.2° | 108.8° |
| C11 | N12 | H13 | 124.4° | 125.6° |
| C10 | C9 | C8 | 102.5° | 107.8° |
| C10 | C9 | H3 | 128.7° | 126.2° |
| N12 | C8 | C9 | 109.6° | 109.3° |
| N12 | C8 | C2 | 124.6° | 125.3° |
| C8 | N12 | H13 | 124.4° | 125.6° |
| C9 | C8 | C2 | 125.8° | 125.3° |
| C8 | C9 | H3 | 128.7° | 126.1° |
| C8 | C2 | C7 | 119.2° | 120.1° |
| C8 | C2 | C3 | 121.9° | 120.1° |
| C7 | C2 | C3 | 118.9° | 119.8° |
| C2 | C7 | C6 | 121.5° | 119.9° |
| C2 | C7 | H2 | 119.3° | 120.1° |
| C2 | C3 | C4 | 120.2° | 119.9° |
| C2 | C3 | H1 | 119.9° | 120.0° |
| C7 | C6 | C5 | 119.8° | 120.1° |
| C6 | C7 | H2 | 119.2° | 120.0° |
| C7 | C6 | H12 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C4 | C3 | H1 | 119.9° | 120.1° |
| C3 | C4 | H11 | 119.8° | 119.9° |
| C6 | C5 | C4 | 119.3° | 120.2° |
| C6 | C5 | O19 | 119.2° | 119.9° |
| C5 | C6 | H12 | 120.1° | 119.9° |
| C4 | C5 | O19 | 121.5° | 119.9° |
| C5 | C4 | H11 | 119.9° | 120.0° |
| C5 | O19 | C20 | 122.0° | 118.0° |
| O19 | C20 | C21 | 117.8° | 119.9° |
| O19 | C20 | C25 | 122.5° | 119.9° |
| C21 | C20 | C25 | 119.8° | 120.1° |
| C20 | C21 | C22 | 120.0° | 120.1° |
| C20 | C21 | H4 | 120.0° | 120.0° |
| C20 | C25 | C24 | 120.2° | 120.1° |
| C20 | C25 | H14 | 119.9° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C22 | C21 | H4 | 120.0° | 119.9° |
| C21 | C22 | H5 | 119.7° | 120.0° |
| C25 | C24 | C23 | 119.5° | 119.9° |
| C25 | C24 | H6 | 120.2° | 120.0° |
| C24 | C25 | H14 | 119.9° | 120.0° |
| C22 | C23 | C24 | 120.0° | 119.8° |
| C22 | C23 | C26 | 117.9° | 120.1° |
| C23 | C22 | H5 | 119.7° | 120.0° |
| C24 | C23 | C26 | 122.0° | 120.1° |
| C23 | C24 | H6 | 120.3° | 120.0° |
| C23 | C26 | N29 | 118.5° | 120.0° |
| C23 | C26 | N27 | 122.1° | 120.0° |
| N29 | C26 | N27 | 119.3° | 120.0° |
| C26 | N29 | H7 | 112.0° | 120.0° |
| C26 | N27 | H15 | 120.0° | 120.0° |
| C26 | N27 | H16 | 120.0° | 120.0° |
| H15 | N27 | H16 | 120.0° | 120.0° |
| H18 | N38 | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | C34 | N38 | C32 | 179.8° | 180.0° |
| N35 | C34 | C32 | C31 | 41.2° | 180.0° |
| N35 | C34 | C32 | C33 | 138.5° | 0.0° |
| N35 | C34 | N38 | H18 | 179.8° | 180.0° |
| N35 | C34 | N38 | H19 | 0.2° | 0.1° |
| N38 | C34 | C32 | C31 | 138.6° | 0.1° |
| N38 | C34 | C32 | C33 | 41.7° | 180.0° |
| N38 | C34 | N35 | H17 | 179.8° | 180.0° |
| C34 | N38 | H18 | H19 | 180.0° | 179.9° |
| C34 | C32 | C31 | C33 | 179.7° | 179.9° |
| C34 | C32 | C31 | C30 | 179.9° | 180.0° |
| C34 | C32 | C33 | C11 | 179.8° | 180.0° |
| C34 | C32 | C31 | H9 | 0.0° | 0.1° |
| C34 | C32 | C33 | H10 | 0.1° | 0.1° |
| C32 | C34 | N35 | H17 | 0.0° | 0.0° |
| C32 | C34 | N38 | H18 | 0.0° | 0.1° |
| C32 | C34 | N38 | H19 | 180.0° | 180.0° |
| C32 | C31 | C30 | H9 | 180.0° | 180.0° |
| C31 | C32 | C33 | C11 | 0.5° | 0.0° |
| C32 | C31 | C30 | C10 | 0.0° | 0.0° |
| C32 | C31 | C30 | H8 | 180.0° | 180.0° |
| C31 | C32 | C33 | H10 | 179.5° | 180.0° |
| C33 | C32 | C31 | C30 | 0.3° | 0.0° |
| C32 | C33 | C11 | H10 | 180.0° | 180.0° |
| C32 | C33 | C11 | C10 | 0.5° | 0.0° |
| C32 | C33 | C11 | N12 | 179.7° | 179.7° |
| C33 | C32 | C31 | H9 | 179.7° | 180.0° |
| C31 | C30 | C10 | H8 | 180.0° | 180.0° |
| C31 | C30 | C10 | C11 | 0.0° | 0.1° |
| C31 | C30 | C10 | C9 | 179.9° | 180.0° |
| C33 | C11 | C10 | C30 | 0.2° | 0.1° |
| C33 | C11 | C10 | N12 | 179.9° | 179.7° |
| C33 | C11 | C10 | C9 | 179.8° | 180.0° |
| C33 | C11 | N12 | C8 | 179.8° | 179.9° |
| C33 | C11 | N12 | H13 | 0.2° | 0.3° |
| C30 | C10 | C11 | C9 | 179.9° | 179.9° |
| C30 | C10 | C11 | N12 | 179.9° | 179.8° |
| C30 | C10 | C9 | C8 | 179.9° | 179.9° |
| C30 | C10 | C9 | H3 | 0.0° | 0.1° |
| C10 | C30 | C31 | H9 | 180.0° | 180.0° |
| C10 | C11 | N12 | C8 | 0.1° | 0.4° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | H3 | 180.0° | 180.0° |
| C11 | C10 | C30 | H8 | 180.0° | 179.9° |
| C10 | C11 | C33 | H10 | 179.5° | 179.9° |
| C10 | C11 | N12 | H13 | 179.9° | 180.0° |
| N12 | C11 | C10 | C9 | 0.0° | 0.3° |
| C11 | N12 | C8 | H13 | 180.0° | 179.6° |
| C11 | N12 | C8 | C9 | 0.1° | 0.4° |
| C11 | N12 | C8 | C2 | 179.9° | 179.8° |
| N12 | C11 | C33 | H10 | 0.3° | 0.3° |
| C10 | C9 | C8 | N12 | 0.1° | 0.2° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C10 | C9 | C8 | C2 | 179.9° | 180.0° |
| C9 | C10 | C30 | H8 | 0.1° | 0.0° |
| N12 | C8 | C9 | C2 | 180.0° | 179.7° |
| N12 | C8 | C2 | C7 | 152.9° | 179.7° |
| N12 | C8 | C2 | C3 | 26.3° | 0.0° |
| N12 | C8 | C9 | H3 | 179.9° | 179.8° |
| C9 | C8 | C2 | C7 | 27.1° | 0.0° |
| C9 | C8 | C2 | C3 | 153.6° | 179.7° |
| C9 | C8 | N12 | H13 | 179.9° | 180.0° |
| C8 | C2 | C7 | C3 | 179.3° | 179.6° |
| C8 | C2 | C7 | C6 | 179.9° | 179.7° |
| C8 | C2 | C3 | C4 | 179.9° | 179.7° |
| C8 | C2 | C3 | H1 | 0.0° | 0.4° |
| C8 | C2 | C7 | H2 | 0.1° | 0.3° |
| C2 | C8 | C9 | H3 | 0.1° | 0.0° |
| C2 | C8 | N12 | H13 | 0.1° | 0.3° |
| C2 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 0.8° | 0.1° |
| C2 | C7 | C6 | C5 | 0.2° | 0.1° |
| C7 | C2 | C3 | H1 | 179.2° | 180.0° |
| C2 | C7 | C6 | H12 | 179.8° | 180.0° |
| C3 | C2 | C7 | C6 | 0.7° | 0.1° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | C7 | H2 | 179.4° | 179.9° |
| C2 | C3 | C4 | H11 | 179.5° | 179.9° |
| C7 | C6 | C5 | H12 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | O19 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | O19 | 179.8° | 180.0° |
| C6 | C5 | C4 | O19 | 179.8° | 179.9° |
| C6 | C5 | O19 | C20 | 99.7° | 173.9° |
| C5 | C6 | C7 | H2 | 179.8° | 180.0° |
| C6 | C5 | C4 | H11 | 179.9° | 179.9° |
| C4 | C5 | O19 | C20 | 80.5° | 6.2° |
| C5 | C4 | C3 | H1 | 179.5° | 179.9° |
| C4 | C5 | C6 | H12 | 179.9° | 180.0° |
| C5 | O19 | C20 | C21 | 164.8° | 112.6° |
| C5 | O19 | C20 | C25 | 15.0° | 67.7° |
| O19 | C5 | C4 | H11 | 0.3° | 0.0° |
| O19 | C5 | C6 | H12 | 0.1° | 0.1° |
| O19 | C20 | C21 | C25 | 179.9° | 179.7° |
| O19 | C20 | C21 | C22 | 179.8° | 179.7° |
| O19 | C20 | C25 | C24 | 179.8° | 179.8° |
| O19 | C20 | C21 | H4 | 0.2° | 0.3° |
| O19 | C20 | C25 | H14 | 0.2° | 0.4° |
| C20 | C21 | C22 | H4 | 180.0° | 179.9° |
| C21 | C20 | C25 | C24 | 0.0° | 0.1° |
| C20 | C21 | C22 | C23 | 0.7° | 0.1° |
| C20 | C21 | C22 | H5 | 179.3° | 179.9° |
| C21 | C20 | C25 | H14 | 180.0° | 179.9° |
| C25 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C25 | C24 | H14 | 180.0° | 179.9° |
| C20 | C25 | C24 | C23 | 0.7° | 0.1° |
| C25 | C20 | C21 | H4 | 180.0° | 180.0° |
| C20 | C25 | C24 | H6 | 179.3° | 180.0° |
| C21 | C22 | C23 | H5 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.3° | 0.0° |
| C21 | C22 | C23 | C26 | 178.5° | 180.0° |
| C25 | C24 | C23 | C22 | 1.3° | 0.1° |
| C25 | C24 | C23 | H6 | 180.0° | 179.9° |
| C25 | C24 | C23 | C26 | 178.4° | 179.9° |
| C22 | C23 | C24 | C26 | 177.1° | 180.0° |
| C22 | C23 | C26 | N29 | 32.6° | 0.1° |
| C22 | C23 | C26 | N27 | 150.0° | 180.0° |
| C23 | C22 | C21 | H4 | 179.3° | 180.0° |
| C22 | C23 | C24 | H6 | 178.7° | 179.9° |
| C24 | C23 | C26 | N29 | 144.5° | 180.0° |
| C24 | C23 | C26 | N27 | 32.8° | 0.0° |
| C24 | C23 | C22 | H5 | 178.6° | 180.0° |
| C23 | C24 | C25 | H14 | 179.3° | 180.0° |
| C23 | C26 | N29 | N27 | 177.4° | 180.0° |
| C26 | C23 | C22 | H5 | 1.4° | 0.0° |
| C26 | C23 | C24 | H6 | 1.6° | 0.0° |
| C23 | C26 | N29 | H7 | 177.4° | 180.0° |
| C23 | C26 | N27 | H15 | 177.3° | 0.0° |
| C23 | C26 | N27 | H16 | 2.7° | 179.9° |
| N29 | C26 | N27 | H15 | 0.0° | 180.0° |
| N29 | C26 | N27 | H16 | 180.0° | 0.0° |
| N27 | C26 | N29 | H7 | 0.0° | 0.0° |
| C26 | N27 | H15 | H16 | 180.0° | 180.0° |
| H1 | C3 | C4 | H11 | 0.5° | 0.0° |
| H2 | C7 | C6 | H12 | 0.2° | 0.0° |
| H4 | C21 | C22 | H5 | 0.7° | 0.0° |
| H6 | C24 | C25 | H14 | 0.7° | 0.2° |
| H8 | C30 | C31 | H9 | 0.0° | 0.0° |
