ZZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C14 | trip | 1.14Å | 1.16Å | |
| C14 | C6 | sing | 1.43Å | 1.29Å | |
| C6 | C13 | sing | 1.41Å | 1.49Å | Aromatic |
| C6 | C2 | doub | 1.40Å | 1.48Å | Aromatic |
| C13 | N18 | sing | 1.38Å | 1.36Å | |
| C13 | N8 | doub | 1.32Å | 1.36Å | Aromatic |
| N8 | C3 | sing | 1.34Å | 1.36Å | Aromatic |
| C3 | S7 | sing | 1.76Å | 1.69Å | Aromatic |
| C3 | C1 | doub | 1.40Å | 1.49Å | Aromatic |
| S7 | C9 | sing | 1.75Å | 1.74Å | Aromatic |
| C9 | C15 | sing | 1.41Å | 1.49Å | |
| C9 | C4 | doub | 1.36Å | 1.49Å | Aromatic |
| C15 | N20 | sing | 1.35Å | 1.33Å | |
| C15 | O21 | doub | 1.22Å | 1.22Å | |
| C4 | N10 | sing | 1.39Å | 1.35Å | |
| C4 | C1 | sing | 1.45Å | 1.50Å | Aromatic |
| C1 | C2 | sing | 1.42Å | 1.48Å | Aromatic |
| C2 | C5 | sing | 1.48Å | 1.49Å | Aromatic |
| C5 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | O23 | sing | 1.36Å | 1.37Å | |
| O23 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N18 | H182 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| N20 | H202 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C14 | C6 | 180.0° | 179.9° |
| C14 | C6 | C13 | 120.4° | 120.6° |
| C14 | C6 | C2 | 120.4° | 120.6° |
| C13 | C6 | C2 | 119.2° | 118.9° |
| C6 | C13 | N18 | 119.2° | 119.6° |
| C6 | C13 | N8 | 121.5° | 120.8° |
| C6 | C2 | C1 | 116.7° | 118.5° |
| C6 | C2 | C5 | 121.7° | 120.8° |
| N18 | C13 | N8 | 119.3° | 119.6° |
| C13 | N18 | H181 | 109.5° | 120.0° |
| C13 | N18 | H182 | 109.5° | 120.0° |
| C13 | N8 | C3 | 122.2° | 122.8° |
| N8 | C3 | S7 | 123.1° | 129.5° |
| N8 | C3 | C1 | 122.1° | 120.5° |
| S7 | C3 | C1 | 114.8° | 110.0° |
| C3 | S7 | C9 | 95.6° | 92.5° |
| C3 | C1 | C4 | 106.3° | 112.3° |
| C3 | C1 | C2 | 118.5° | 118.7° |
| S7 | C9 | C15 | 121.2° | 124.5° |
| S7 | C9 | C4 | 108.5° | 111.0° |
| C15 | C9 | C4 | 130.2° | 124.5° |
| C9 | C15 | N20 | 118.8° | 120.0° |
| C9 | C15 | O21 | 119.4° | 120.1° |
| C9 | C4 | N10 | 122.6° | 123.0° |
| C9 | C4 | C1 | 114.8° | 114.1° |
| N20 | C15 | O21 | 121.8° | 120.0° |
| C15 | N20 | H201 | 108.4° | 120.0° |
| C15 | N20 | H202 | 125.8° | 120.0° |
| N10 | C4 | C1 | 122.6° | 122.9° |
| C4 | N10 | H101 | 109.5° | 120.0° |
| C4 | N10 | H102 | 109.4° | 120.0° |
| C4 | C1 | C2 | 135.3° | 129.0° |
| C1 | C2 | C5 | 121.6° | 120.8° |
| C2 | C5 | C12 | 120.0° | 120.0° |
| C2 | C5 | C11 | 120.0° | 120.1° |
| C12 | C5 | C11 | 120.0° | 119.9° |
| C5 | C12 | C17 | 120.0° | 119.9° |
| C5 | C12 | H12 | 120.0° | 120.1° |
| C5 | C11 | C16 | 120.0° | 119.9° |
| C5 | C11 | H11 | 120.0° | 120.0° |
| C12 | C17 | C22 | 120.0° | 120.1° |
| C17 | C12 | H12 | 120.0° | 120.1° |
| C12 | C17 | H17 | 120.0° | 119.9° |
| C17 | C22 | C16 | 120.0° | 120.2° |
| C17 | C22 | O23 | 120.0° | 119.9° |
| C22 | C17 | H17 | 120.0° | 120.0° |
| C11 | C16 | C22 | 120.0° | 120.1° |
| C16 | C11 | H11 | 120.0° | 120.1° |
| C11 | C16 | H16 | 120.0° | 119.9° |
| C16 | C22 | O23 | 120.0° | 119.9° |
| C22 | C16 | H16 | 120.0° | 120.0° |
| C22 | O23 | C24 | 120.0° | 117.0° |
| O23 | C24 | C25 | 109.4° | 109.5° |
| O23 | C24 | H241 | 109.5° | 109.5° |
| O23 | C24 | H242 | 109.5° | 109.4° |
| C25 | C24 | H241 | 109.5° | 109.5° |
| C25 | C24 | H242 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| H181 | N18 | H182 | 109.4° | 120.0° |
| H201 | N20 | H202 | 125.8° | 120.0° |
| H101 | N10 | H102 | 109.5° | 120.0° |
| H241 | C24 | H242 | 109.4° | 109.4° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C14 | C6 | C13 | 72.5° | 121.1° |
| N19 | C14 | C6 | C2 | 107.5° | 58.7° |
| C14 | C6 | C13 | C2 | 180.0° | 179.8° |
| C14 | C6 | C13 | N18 | 0.0° | 0.1° |
| C14 | C6 | C13 | N8 | 180.0° | 180.0° |
| C14 | C6 | C2 | C1 | 180.0° | 179.7° |
| C14 | C6 | C2 | C5 | 0.1° | 0.1° |
| C6 | C13 | N18 | N8 | 180.0° | 179.9° |
| C6 | C13 | N8 | C3 | 0.0° | 0.0° |
| C13 | C6 | C2 | C1 | 0.0° | 0.5° |
| C13 | C6 | C2 | C5 | 179.9° | 179.7° |
| C6 | C13 | N18 | H181 | 168.0° | 0.0° |
| C6 | C13 | N18 | H182 | 48.0° | 180.0° |
| C2 | C6 | C13 | N18 | 180.0° | 179.7° |
| C2 | C6 | C13 | N8 | 0.0° | 0.2° |
| C6 | C2 | C1 | C3 | 0.0° | 0.5° |
| C6 | C2 | C1 | C4 | 180.0° | 179.8° |
| C6 | C2 | C1 | C5 | 179.9° | 179.8° |
| C6 | C2 | C5 | C12 | 69.1° | 65.1° |
| C6 | C2 | C5 | C11 | 110.9° | 115.3° |
| N18 | C13 | N8 | C3 | 180.0° | 180.0° |
| C13 | N18 | H181 | H182 | 120.0° | 180.0° |
| C13 | N8 | C3 | S7 | 180.0° | 180.0° |
| C13 | N8 | C3 | C1 | 0.0° | 0.0° |
| N8 | C13 | N18 | H181 | 12.0° | 179.9° |
| N8 | C13 | N18 | H182 | 132.0° | 0.0° |
| N8 | C3 | S7 | C1 | 180.0° | 180.0° |
| N8 | C3 | S7 | C9 | 180.0° | 180.0° |
| N8 | C3 | C1 | C4 | 180.0° | 180.0° |
| N8 | C3 | C1 | C2 | 0.0° | 0.2° |
| C3 | S7 | C9 | C15 | 180.0° | 179.9° |
| C3 | S7 | C9 | C4 | 0.0° | 0.0° |
| S7 | C3 | C1 | C4 | 0.0° | 0.0° |
| S7 | C3 | C1 | C2 | 180.0° | 179.8° |
| C1 | C3 | S7 | C9 | 0.0° | 0.0° |
| C3 | C1 | C4 | C9 | 0.0° | 0.0° |
| C3 | C1 | C4 | N10 | 180.0° | 180.0° |
| C3 | C1 | C4 | C2 | 180.0° | 179.8° |
| C3 | C1 | C2 | C5 | 179.9° | 179.7° |
| S7 | C9 | C15 | C4 | 180.0° | 179.9° |
| S7 | C9 | C15 | N20 | 12.5° | 0.0° |
| S7 | C9 | C15 | O21 | 167.5° | 179.9° |
| S7 | C9 | C4 | N10 | 180.0° | 180.0° |
| S7 | C9 | C4 | C1 | 0.0° | 0.0° |
| C9 | C15 | N20 | O21 | 180.0° | 180.0° |
| C15 | C9 | C4 | N10 | 0.0° | 0.0° |
| C15 | C9 | C4 | C1 | 180.0° | 179.9° |
| C9 | C15 | N20 | H201 | 180.0° | 0.0° |
| C9 | C15 | N20 | H202 | 0.0° | 180.0° |
| C4 | C9 | C15 | N20 | 167.6° | 179.9° |
| C4 | C9 | C15 | O21 | 12.4° | 0.0° |
| C9 | C4 | N10 | C1 | 180.0° | 180.0° |
| C9 | C4 | C1 | C2 | 180.0° | 179.8° |
| C9 | C4 | N10 | H101 | 150.0° | 0.0° |
| C9 | C4 | N10 | H102 | 90.0° | 180.0° |
| C15 | N20 | H201 | H202 | 180.0° | 179.9° |
| O21 | C15 | N20 | H201 | 0.0° | 180.0° |
| O21 | C15 | N20 | H202 | 180.0° | 0.1° |
| N10 | C4 | C1 | C2 | 0.0° | 0.2° |
| C4 | N10 | H101 | H102 | 120.0° | 180.0° |
| C4 | C1 | C2 | C5 | 0.0° | 0.0° |
| C1 | C4 | N10 | H101 | 30.0° | 180.0° |
| C1 | C4 | N10 | H102 | 90.0° | 0.1° |
| C1 | C2 | C5 | C12 | 111.0° | 114.7° |
| C1 | C2 | C5 | C11 | 69.0° | 64.9° |
| C2 | C5 | C12 | C11 | 180.0° | 179.6° |
| C2 | C5 | C12 | C17 | 180.0° | 180.0° |
| C2 | C5 | C11 | C16 | 180.0° | 180.0° |
| C2 | C5 | C12 | H12 | 0.0° | 0.1° |
| C2 | C5 | C11 | H11 | 0.0° | 0.1° |
| C5 | C12 | C17 | H12 | 180.0° | 179.9° |
| C5 | C12 | C17 | C22 | 0.0° | 0.0° |
| C12 | C5 | C11 | C16 | 0.0° | 0.4° |
| C12 | C5 | C11 | H11 | 179.9° | 179.7° |
| C5 | C12 | C17 | H17 | 179.9° | 179.9° |
| C11 | C5 | C12 | C17 | 0.0° | 0.3° |
| C5 | C11 | C16 | H11 | 180.0° | 179.9° |
| C5 | C11 | C16 | C22 | 0.0° | 0.1° |
| C11 | C5 | C12 | H12 | 180.0° | 179.7° |
| C5 | C11 | C16 | H16 | 180.0° | 180.0° |
| C12 | C17 | C22 | H17 | 180.0° | 179.9° |
| C12 | C17 | C22 | C16 | 0.0° | 0.3° |
| C12 | C17 | C22 | O23 | 180.0° | 179.9° |
| C17 | C22 | C16 | C11 | 0.0° | 0.2° |
| C17 | C22 | C16 | O23 | 180.0° | 179.8° |
| C17 | C22 | O23 | C24 | 30.4° | 180.0° |
| C22 | C17 | C12 | H12 | 180.0° | 179.9° |
| C17 | C22 | C16 | H16 | 180.0° | 179.7° |
| C11 | C16 | C22 | H16 | 180.0° | 179.9° |
| C11 | C16 | C22 | O23 | 180.0° | 180.0° |
| C16 | C22 | O23 | C24 | 149.6° | 0.2° |
| C22 | C16 | C11 | H11 | 179.9° | 180.0° |
| C16 | C22 | C17 | H17 | 179.9° | 179.8° |
| C22 | O23 | C24 | C25 | 136.7° | 180.0° |
| O23 | C22 | C17 | H17 | 0.0° | 0.0° |
| O23 | C22 | C16 | H16 | 0.0° | 0.1° |
| C22 | O23 | C24 | H241 | 103.3° | 59.9° |
| C22 | O23 | C24 | H242 | 16.6° | 60.0° |
| O23 | C24 | C25 | H241 | 120.0° | 120.0° |
| O23 | C24 | C25 | H242 | 120.0° | 120.0° |
| O23 | C24 | H241 | H242 | 120.0° | 119.9° |
| O23 | C24 | C25 | H251 | 128.5° | 60.0° |
| O23 | C24 | C25 | H252 | 111.6° | 60.0° |
| O23 | C24 | C25 | H253 | 8.4° | 180.0° |
| C25 | C24 | H241 | H242 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| H12 | C12 | C17 | H17 | 0.0° | 0.0° |
| H11 | C11 | C16 | H16 | 0.0° | 0.1° |
| H241 | C24 | C25 | H251 | 8.5° | 180.0° |
| H241 | C24 | C25 | H252 | 128.4° | 60.0° |
| H241 | C24 | C25 | H253 | 111.5° | 60.0° |
| H242 | C24 | C25 | H251 | 111.5° | 60.0° |
| H242 | C24 | C25 | H252 | 8.4° | 180.0° |
| H242 | C24 | C25 | H253 | 128.5° | 60.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
