DMZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C41 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | S2 | sing | 1.76Å | 1.78Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C41 | H413 | sing | 1.09Å | 1.11Å | |
| S2 | O3 | doub | 1.42Å | 1.52Å | |
| S2 | O4 | doub | 1.42Å | 1.53Å | |
| S2 | N6 | sing | 1.65Å | 1.76Å | |
| N6 | C31 | sing | 1.47Å | 1.48Å | |
| N6 | C22 | sing | 1.39Å | 1.42Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | doub | 1.36Å | 1.40Å | Aromatic |
| C22 | N8 | sing | 1.36Å | 1.43Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.44Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | N7 | doub | 1.31Å | 1.35Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| N7 | N8 | sing | 1.40Å | 1.34Å | Aromatic |
| N8 | C25 | sing | 1.40Å | 1.45Å | Aromatic |
| C25 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.43Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C29 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 121.1° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | C20 | 118.3° | 120.0° |
| C18 | C19 | C41 | 120.8° | 120.0° |
| C17 | C18 | H18 | 119.0° | 120.0° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C20 | C19 | C41 | 120.9° | 120.0° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C19 | C41 | H411 | 108.2° | 109.5° |
| C19 | C41 | H412 | 120.8° | 109.5° |
| C19 | C41 | H413 | 108.2° | 109.5° |
| C21 | C20 | H20 | 119.3° | 120.0° |
| C20 | C21 | C16 | 120.3° | 120.0° |
| C20 | C21 | H21 | 119.7° | 120.0° |
| C16 | C21 | H21 | 120.0° | 120.1° |
| C21 | C16 | C17 | 119.5° | 120.0° |
| C21 | C16 | S2 | 120.4° | 120.0° |
| C17 | C16 | S2 | 120.1° | 120.0° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C16 | S2 | O3 | 109.8° | 105.7° |
| C16 | S2 | O4 | 111.4° | 105.8° |
| C16 | S2 | N6 | 105.6° | 107.4° |
| H411 | C41 | H412 | 108.1° | 109.4° |
| H411 | C41 | H413 | 101.8° | 109.5° |
| H412 | C41 | H413 | 108.2° | 109.4° |
| O3 | S2 | O4 | 112.7° | 125.3° |
| O3 | S2 | N6 | 108.2° | 105.8° |
| O4 | S2 | N6 | 108.7° | 105.8° |
| S2 | N6 | C31 | 119.3° | 120.0° |
| S2 | N6 | C22 | 118.3° | 120.0° |
| C31 | N6 | C22 | 114.6° | 120.0° |
| N6 | C31 | H311 | 108.7° | 109.5° |
| N6 | C31 | H312 | 119.4° | 109.5° |
| N6 | C31 | H313 | 108.6° | 109.4° |
| N6 | C22 | C23 | 133.2° | 126.3° |
| N6 | C22 | N8 | 121.2° | 126.3° |
| H311 | C31 | H312 | 108.6° | 109.5° |
| H311 | C31 | H313 | 101.3° | 109.5° |
| H312 | C31 | H313 | 108.7° | 109.5° |
| C23 | C22 | N8 | 105.6° | 107.4° |
| C22 | C23 | C24 | 105.5° | 107.9° |
| C22 | C23 | H23 | 126.3° | 126.0° |
| C22 | N8 | N7 | 111.2° | 107.8° |
| C22 | N8 | C25 | 131.6° | 126.1° |
| C24 | C23 | H23 | 128.3° | 126.1° |
| C23 | C24 | N7 | 110.5° | 108.5° |
| C23 | C24 | H24 | 127.4° | 125.8° |
| N7 | C24 | H24 | 122.2° | 125.8° |
| C24 | N7 | N8 | 107.3° | 108.5° |
| N7 | N8 | C25 | 117.2° | 126.2° |
| N8 | C25 | C30 | 119.8° | 120.1° |
| N8 | C25 | C26 | 120.3° | 120.1° |
| C30 | C25 | C26 | 119.9° | 119.8° |
| C25 | C30 | C29 | 119.5° | 120.0° |
| C25 | C30 | H30 | 120.7° | 120.0° |
| C25 | C26 | C27 | 119.8° | 120.0° |
| C25 | C26 | H26 | 120.5° | 120.0° |
| C29 | C30 | H30 | 119.8° | 120.1° |
| C30 | C29 | C28 | 120.7° | 120.1° |
| C30 | C29 | H29 | 119.6° | 120.0° |
| C28 | C29 | H29 | 119.7° | 120.0° |
| C29 | C28 | C27 | 120.0° | 120.1° |
| C29 | C28 | H28 | 120.0° | 119.9° |
| C27 | C28 | H28 | 120.1° | 119.9° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C27 | C26 | H26 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C18 | C19 | C20 | C41 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.4° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| C18 | C19 | C41 | H411 | 54.7° | 90.0° |
| C18 | C19 | C41 | H412 | 180.0° | 30.0° |
| C18 | C19 | C41 | H413 | 54.8° | 150.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C17 | C18 | C19 | C41 | 179.8° | 179.9° |
| C18 | C17 | C16 | C21 | 0.0° | 0.5° |
| C18 | C17 | C16 | H17 | 180.0° | 179.6° |
| C18 | C17 | C16 | S2 | 179.7° | 179.8° |
| H18 | C18 | C19 | C20 | 179.9° | 180.0° |
| H18 | C18 | C19 | C41 | 0.2° | 0.1° |
| H18 | C18 | C17 | C16 | 179.9° | 179.8° |
| H18 | C18 | C17 | H17 | 0.1° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C19 | C41 | H411 | 125.3° | 90.0° |
| C20 | C19 | C41 | H412 | 0.1° | 150.0° |
| C20 | C19 | C41 | H413 | 125.2° | 30.0° |
| C41 | C19 | C20 | C21 | 179.8° | 179.9° |
| C41 | C19 | C20 | H20 | 0.2° | 0.0° |
| C19 | C41 | H411 | H412 | 132.4° | 120.0° |
| C19 | C41 | H411 | H413 | 113.8° | 120.1° |
| C19 | C41 | H412 | H413 | 125.3° | 120.0° |
| C20 | C21 | C16 | H21 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 0.0° | 0.3° |
| C20 | C21 | C16 | S2 | 179.7° | 180.0° |
| H20 | C20 | C21 | C16 | 179.9° | 179.9° |
| H20 | C20 | C21 | H21 | 0.1° | 0.1° |
| C21 | C16 | C17 | S2 | 179.7° | 179.7° |
| C21 | C16 | C17 | H17 | 179.9° | 179.9° |
| C21 | C16 | S2 | O3 | 131.7° | 22.6° |
| C21 | C16 | S2 | O4 | 6.1° | 157.3° |
| C21 | C16 | S2 | N6 | 111.8° | 90.0° |
| H21 | C21 | C16 | C17 | 180.0° | 179.7° |
| H21 | C21 | C16 | S2 | 0.3° | 0.0° |
| C17 | C16 | S2 | O3 | 48.0° | 157.1° |
| C17 | C16 | S2 | O4 | 173.6° | 22.4° |
| C17 | C16 | S2 | N6 | 68.5° | 90.3° |
| S2 | C16 | C17 | H17 | 0.2° | 0.2° |
| C16 | S2 | O3 | O4 | 124.9° | 123.0° |
| C16 | S2 | O3 | N6 | 114.9° | 113.7° |
| C16 | S2 | O4 | N6 | 116.0° | 113.7° |
| C16 | S2 | N6 | C31 | 55.1° | 90.0° |
| C16 | S2 | N6 | C22 | 92.7° | 90.0° |
| H411 | C41 | H412 | H413 | 109.5° | 120.0° |
| O3 | S2 | O4 | N6 | 120.0° | 123.2° |
| O3 | S2 | N6 | C31 | 62.5° | 157.4° |
| O3 | S2 | N6 | C22 | 149.7° | 22.6° |
| O4 | S2 | N6 | C31 | 174.8° | 22.6° |
| O4 | S2 | N6 | C22 | 27.0° | 157.4° |
| S2 | N6 | C31 | C22 | 148.9° | 180.0° |
| S2 | N6 | C31 | H311 | 54.7° | 174.8° |
| S2 | N6 | C31 | H312 | 180.0° | 65.2° |
| S2 | N6 | C31 | H313 | 54.7° | 54.8° |
| S2 | N6 | C22 | C23 | 45.8° | 97.2° |
| S2 | N6 | C22 | N8 | 134.1° | 83.1° |
| N6 | C31 | H311 | H312 | 131.3° | 120.1° |
| N6 | C31 | H311 | H313 | 114.3° | 119.9° |
| N6 | C31 | H312 | H313 | 125.3° | 119.9° |
| C31 | N6 | C22 | C23 | 103.4° | 82.8° |
| C31 | N6 | C22 | N8 | 76.7° | 96.9° |
| C22 | N6 | C31 | H311 | 156.4° | 5.2° |
| C22 | N6 | C31 | H312 | 31.1° | 114.8° |
| C22 | N6 | C31 | H313 | 94.2° | 125.2° |
| N6 | C22 | C23 | N8 | 179.9° | 179.7° |
| N6 | C22 | C23 | C24 | 180.0° | 180.0° |
| N6 | C22 | C23 | H23 | 0.0° | 0.0° |
| N6 | C22 | N8 | N7 | 180.0° | 179.9° |
| N6 | C22 | N8 | C25 | 0.0° | 0.3° |
| H311 | C31 | H312 | H313 | 109.5° | 120.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | N7 | 0.1° | 0.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C22 | N8 | N7 | 0.1° | 0.4° |
| C23 | C22 | N8 | C25 | 179.9° | 180.0° |
| N8 | C22 | C23 | C24 | 0.1° | 0.3° |
| N8 | C22 | C23 | H23 | 179.9° | 179.7° |
| C22 | N8 | N7 | C24 | 0.0° | 0.4° |
| C22 | N8 | N7 | C25 | 180.0° | 179.5° |
| C22 | N8 | C25 | C30 | 53.1° | 137.5° |
| C22 | N8 | C25 | C26 | 127.1° | 42.8° |
| C23 | C24 | N7 | H24 | 180.0° | 180.0° |
| C23 | C24 | N7 | N8 | 0.0° | 0.3° |
| H23 | C23 | C24 | N7 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| C24 | N7 | N8 | C25 | 179.9° | 180.0° |
| H24 | C24 | N7 | N8 | 180.0° | 179.7° |
| N7 | N8 | C25 | C30 | 126.9° | 41.9° |
| N7 | N8 | C25 | C26 | 52.9° | 137.8° |
| N8 | C25 | C30 | C26 | 179.7° | 179.7° |
| N8 | C25 | C30 | C29 | 179.8° | 180.0° |
| N8 | C25 | C30 | H30 | 0.2° | 0.1° |
| N8 | C25 | C26 | C27 | 179.8° | 179.7° |
| N8 | C25 | C26 | H26 | 0.2° | 0.3° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.0° | 0.0° |
| C25 | C30 | C29 | H29 | 180.0° | 180.0° |
| C30 | C25 | C26 | C27 | 0.1° | 0.6° |
| C30 | C25 | C26 | H26 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.0° | 0.3° |
| C26 | C25 | C30 | H30 | 180.0° | 179.8° |
| C25 | C26 | C27 | C28 | 0.1° | 0.6° |
| C25 | C26 | C27 | H26 | 180.0° | 179.4° |
| C25 | C26 | C27 | H27 | 179.9° | 179.6° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.0° | 0.0° |
| C30 | C29 | C28 | H28 | 179.9° | 180.0° |
| H30 | C30 | C29 | C28 | 180.0° | 179.9° |
| H30 | C30 | C29 | H29 | 0.0° | 0.0° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.3° |
| C29 | C28 | C27 | H27 | 179.9° | 180.0° |
| H29 | C29 | C28 | C27 | 179.9° | 180.0° |
| H29 | C29 | C28 | H28 | 0.1° | 0.0° |
| C28 | C27 | C26 | H27 | 180.0° | 179.8° |
| C28 | C27 | C26 | H26 | 179.9° | 180.0° |
| H28 | C28 | C27 | C26 | 179.9° | 179.7° |
| H28 | C28 | C27 | H27 | 0.1° | 0.0° |
| H27 | C27 | C26 | H26 | 0.1° | 0.2° |
