AZ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C5 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | O7 | sing | 1.43Å | 1.44Å | |
| C5 | C15 | sing | 1.51Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| O7 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C11 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.34Å | 1.35Å | |
| C15 | O18 | doub | 1.21Å | 1.22Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å | |
| C19 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
| C23 | O28 | sing | 1.36Å | 1.37Å | |
| C24 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C32 | sing | 1.53Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C32 | C35 | sing | 1.51Å | 1.50Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C35 | C43 | sing | 1.38Å | 1.43Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | C40 | doub | 1.39Å | 1.43Å | Aromatic |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | sing | 1.39Å | 1.41Å | Aromatic |
| C40 | O45 | sing | 1.36Å | 1.36Å | |
| C41 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| O45 | S46 | sing | 1.52Å | 1.63Å | |
| S46 | C47 | sing | 1.81Å | 1.78Å | |
| S46 | O51 | doub | 1.42Å | 1.45Å | |
| S46 | O52 | doub | 1.42Å | 1.45Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C19 | 120.1° | 119.9° |
| C2 | C1 | C26 | 120.9° | 120.0° |
| C1 | C2 | C5 | 112.8° | 109.5° |
| C1 | C2 | H21 | 107.6° | 109.5° |
| C1 | C2 | H22 | 108.4° | 109.4° |
| C19 | C1 | C26 | 119.0° | 120.1° |
| C1 | C19 | C21 | 120.4° | 120.1° |
| C1 | C19 | H191 | 119.8° | 120.0° |
| C1 | C26 | C24 | 120.4° | 120.1° |
| C1 | C26 | H261 | 119.8° | 119.9° |
| C5 | C2 | H21 | 107.7° | 109.5° |
| C5 | C2 | H22 | 108.4° | 109.5° |
| C2 | C5 | O7 | 107.2° | 109.5° |
| C2 | C5 | C15 | 108.4° | 109.5° |
| C2 | C5 | H51 | 113.2° | 109.4° |
| H21 | C2 | H22 | 112.1° | 109.4° |
| O7 | C5 | C15 | 113.8° | 109.4° |
| O7 | C5 | H51 | 107.8° | 109.5° |
| C5 | O7 | C8 | 115.2° | 106.8° |
| C15 | C5 | H51 | 106.5° | 109.5° |
| C5 | C15 | O16 | 112.4° | 120.0° |
| C5 | C15 | O18 | 127.2° | 120.0° |
| O7 | C8 | C11 | 106.7° | 109.5° |
| O7 | C8 | H81 | 111.0° | 109.5° |
| O7 | C8 | H82 | 110.4° | 109.5° |
| C11 | C8 | H81 | 111.0° | 109.4° |
| C11 | C8 | H82 | 110.4° | 109.4° |
| C8 | C11 | H111 | 109.5° | 109.5° |
| C8 | C11 | H112 | 109.5° | 109.5° |
| C8 | C11 | H113 | 109.5° | 109.5° |
| H81 | C8 | H82 | 107.3° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| O16 | C15 | O18 | 120.4° | 120.0° |
| C15 | O16 | H161 | 109.5° | 120.0° |
| C21 | C19 | H191 | 119.8° | 120.0° |
| C19 | C21 | C23 | 120.5° | 119.9° |
| C19 | C21 | H211 | 119.7° | 120.0° |
| C23 | C21 | H211 | 119.7° | 120.1° |
| C21 | C23 | C24 | 119.1° | 119.9° |
| C21 | C23 | O28 | 113.5° | 120.0° |
| C24 | C23 | O28 | 127.4° | 120.1° |
| C23 | C24 | C26 | 120.6° | 120.0° |
| C23 | C24 | H241 | 119.7° | 120.0° |
| C23 | O28 | C29 | 118.3° | 106.8° |
| C26 | C24 | H241 | 119.7° | 120.1° |
| C24 | C26 | H261 | 119.8° | 120.0° |
| O28 | C29 | C32 | 106.0° | 109.4° |
| O28 | C29 | H291 | 111.4° | 109.5° |
| O28 | C29 | H292 | 110.6° | 109.5° |
| C32 | C29 | H291 | 111.4° | 109.5° |
| C32 | C29 | H292 | 110.7° | 109.5° |
| C29 | C32 | C35 | 112.6° | 109.5° |
| C29 | C32 | H321 | 107.7° | 109.5° |
| C29 | C32 | H322 | 108.5° | 109.5° |
| H291 | C29 | H292 | 106.8° | 109.5° |
| C35 | C32 | H321 | 107.7° | 109.5° |
| C35 | C32 | H322 | 108.4° | 109.5° |
| C32 | C35 | C36 | 120.3° | 120.0° |
| C32 | C35 | C43 | 120.4° | 119.9° |
| H321 | C32 | H322 | 111.9° | 109.5° |
| C36 | C35 | C43 | 119.3° | 120.1° |
| C35 | C36 | C38 | 120.0° | 120.0° |
| C35 | C36 | H361 | 120.0° | 120.0° |
| C35 | C43 | C41 | 120.4° | 120.1° |
| C35 | C43 | H431 | 119.8° | 120.0° |
| C38 | C36 | H361 | 120.0° | 120.0° |
| C36 | C38 | C40 | 120.2° | 120.0° |
| C36 | C38 | H381 | 119.9° | 120.0° |
| C40 | C38 | H381 | 119.9° | 120.0° |
| C38 | C40 | C41 | 119.9° | 119.8° |
| C38 | C40 | O45 | 115.2° | 120.1° |
| C41 | C40 | O45 | 124.8° | 120.1° |
| C40 | C41 | C43 | 120.1° | 119.9° |
| C40 | C41 | H411 | 120.0° | 120.0° |
| C40 | O45 | S46 | 119.2° | 106.8° |
| C43 | C41 | H411 | 119.9° | 120.0° |
| C41 | C43 | H431 | 119.8° | 119.9° |
| O45 | S46 | C47 | 97.3° | 103.2° |
| O45 | S46 | O51 | 108.9° | 102.8° |
| O45 | S46 | O52 | 109.0° | 102.8° |
| C47 | S46 | O51 | 108.5° | 111.7° |
| C47 | S46 | O52 | 108.0° | 111.6° |
| S46 | C47 | H471 | 109.4° | 109.5° |
| S46 | C47 | H472 | 109.4° | 109.5° |
| S46 | C47 | H473 | 109.5° | 109.4° |
| O51 | S46 | O52 | 122.2° | 122.1° |
| H471 | C47 | H472 | 109.5° | 109.6° |
| H471 | C47 | H473 | 109.5° | 109.4° |
| H472 | C47 | H473 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C19 | C26 | 179.3° | 179.7° |
| C1 | C2 | C5 | H21 | 118.6° | 120.1° |
| C1 | C2 | C5 | H22 | 120.0° | 119.9° |
| C1 | C2 | H21 | H22 | 119.1° | 120.0° |
| C1 | C2 | C5 | O7 | 71.0° | 60.1° |
| C1 | C2 | C5 | C15 | 165.7° | 180.0° |
| C1 | C2 | C5 | H51 | 47.8° | 60.0° |
| C2 | C1 | C19 | C21 | 179.0° | 180.0° |
| C2 | C1 | C19 | H191 | 1.0° | 0.1° |
| C2 | C1 | C26 | C24 | 179.0° | 179.7° |
| C2 | C1 | C26 | H261 | 1.0° | 0.2° |
| C19 | C1 | C2 | C5 | 78.5° | 90.0° |
| C19 | C1 | C2 | H21 | 40.1° | 30.1° |
| C19 | C1 | C2 | H22 | 161.5° | 150.0° |
| C1 | C19 | C21 | H191 | 180.0° | 180.0° |
| C1 | C19 | C21 | C23 | 0.1° | 0.0° |
| C1 | C19 | C21 | H211 | 179.9° | 180.0° |
| C19 | C1 | C26 | C24 | 0.3° | 0.5° |
| C19 | C1 | C26 | H261 | 179.7° | 180.0° |
| C26 | C1 | C2 | C5 | 100.8° | 90.3° |
| C26 | C1 | C2 | H21 | 140.6° | 149.7° |
| C26 | C1 | C2 | H22 | 19.2° | 29.7° |
| C26 | C1 | C19 | C21 | 0.3° | 0.3° |
| C26 | C1 | C19 | H191 | 179.7° | 179.7° |
| C1 | C26 | C24 | C23 | 0.0° | 0.5° |
| C1 | C26 | C24 | H261 | 180.0° | 179.5° |
| C1 | C26 | C24 | H241 | 180.0° | 179.7° |
| C5 | C2 | H21 | H22 | 119.1° | 120.0° |
| C2 | C5 | O7 | C15 | 119.9° | 120.0° |
| C2 | C5 | O7 | H51 | 122.2° | 120.0° |
| C2 | C5 | C15 | H51 | 122.2° | 120.0° |
| C2 | C5 | O7 | C8 | 152.5° | 150.0° |
| C2 | C5 | C15 | O16 | 79.8° | 60.0° |
| C2 | C5 | C15 | O18 | 100.3° | 120.0° |
| H21 | C2 | C5 | O7 | 47.6° | 60.0° |
| H21 | C2 | C5 | C15 | 75.7° | 59.9° |
| H21 | C2 | C5 | H51 | 166.3° | 179.9° |
| H22 | C2 | C5 | O7 | 169.0° | 180.0° |
| H22 | C2 | C5 | C15 | 45.7° | 60.0° |
| H22 | C2 | C5 | H51 | 72.3° | 60.0° |
| O7 | C5 | C15 | H51 | 118.6° | 120.0° |
| C5 | O7 | C8 | C11 | 161.4° | 180.0° |
| C5 | O7 | C8 | H81 | 77.5° | 60.0° |
| C5 | O7 | C8 | H82 | 41.4° | 60.0° |
| O7 | C5 | C15 | O16 | 161.0° | 180.0° |
| O7 | C5 | C15 | O18 | 18.9° | 0.0° |
| C15 | C5 | O7 | C8 | 87.6° | 90.0° |
| C5 | C15 | O16 | O18 | 179.9° | 180.0° |
| C5 | C15 | O16 | H161 | 179.9° | 180.0° |
| H51 | C5 | O7 | C8 | 30.3° | 30.0° |
| H51 | C5 | C15 | O16 | 42.4° | 59.9° |
| H51 | C5 | C15 | O18 | 137.5° | 120.1° |
| O7 | C8 | C11 | H81 | 121.1° | 120.0° |
| O7 | C8 | C11 | H82 | 120.0° | 120.0° |
| O7 | C8 | H81 | H82 | 120.8° | 120.0° |
| O7 | C8 | C11 | H111 | 48.8° | 180.0° |
| O7 | C8 | C11 | H112 | 71.2° | 60.0° |
| O7 | C8 | C11 | H113 | 168.8° | 60.0° |
| C11 | C8 | H81 | H82 | 120.7° | 120.0° |
| C8 | C11 | H111 | H112 | 120.0° | 120.0° |
| C8 | C11 | H111 | H113 | 120.0° | 120.1° |
| C8 | C11 | H112 | H113 | 120.0° | 120.0° |
| H81 | C8 | C11 | H111 | 169.9° | 60.0° |
| H81 | C8 | C11 | H112 | 49.9° | 60.0° |
| H81 | C8 | C11 | H113 | 70.1° | 179.9° |
| H82 | C8 | C11 | H111 | 71.2° | 60.0° |
| H82 | C8 | C11 | H112 | 168.8° | 180.0° |
| H82 | C8 | C11 | H113 | 48.8° | 60.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| O18 | C15 | O16 | H161 | 0.0° | 0.1° |
| C19 | C21 | C23 | H211 | 180.0° | 180.0° |
| C19 | C21 | C23 | C24 | 0.4° | 0.0° |
| C19 | C21 | C23 | O28 | 179.8° | 180.0° |
| H191 | C19 | C21 | C23 | 179.9° | 179.9° |
| H191 | C19 | C21 | H211 | 0.1° | 0.0° |
| C21 | C23 | C24 | O28 | 179.7° | 180.0° |
| C21 | C23 | C24 | C26 | 0.4° | 0.3° |
| C21 | C23 | C24 | H241 | 179.6° | 180.0° |
| C21 | C23 | O28 | C29 | 159.2° | 180.0° |
| H211 | C21 | C23 | C24 | 179.6° | 180.0° |
| H211 | C21 | C23 | O28 | 0.2° | 0.0° |
| C23 | C24 | C26 | H241 | 180.0° | 179.7° |
| C23 | C24 | C26 | H261 | 180.0° | 180.0° |
| C24 | C23 | O28 | C29 | 21.0° | 0.0° |
| O28 | C23 | C24 | C26 | 179.9° | 179.7° |
| O28 | C23 | C24 | H241 | 0.1° | 0.0° |
| C23 | O28 | C29 | C32 | 163.0° | 180.0° |
| C23 | O28 | C29 | H291 | 41.7° | 60.1° |
| C23 | O28 | C29 | H292 | 77.0° | 60.0° |
| H241 | C24 | C26 | H261 | 0.0° | 0.2° |
| O28 | C29 | C32 | H291 | 121.3° | 119.9° |
| O28 | C29 | C32 | H292 | 120.0° | 120.0° |
| O28 | C29 | H291 | H292 | 120.9° | 120.0° |
| O28 | C29 | C32 | C35 | 99.3° | 180.0° |
| O28 | C29 | C32 | H321 | 142.1° | 60.0° |
| O28 | C29 | C32 | H322 | 20.7° | 60.0° |
| C32 | C29 | H291 | H292 | 121.0° | 120.0° |
| C29 | C32 | C35 | H321 | 118.7° | 120.0° |
| C29 | C32 | C35 | H322 | 120.0° | 120.0° |
| C29 | C32 | H321 | H322 | 119.2° | 120.0° |
| C29 | C32 | C35 | C36 | 125.7° | 90.0° |
| C29 | C32 | C35 | C43 | 54.8° | 90.3° |
| H291 | C29 | C32 | C35 | 22.0° | 60.0° |
| H291 | C29 | C32 | H321 | 96.6° | 180.0° |
| H291 | C29 | C32 | H322 | 142.0° | 60.0° |
| H292 | C29 | C32 | C35 | 140.7° | 60.0° |
| H292 | C29 | C32 | H321 | 22.1° | 60.0° |
| H292 | C29 | C32 | H322 | 99.3° | 180.0° |
| C35 | C32 | H321 | H322 | 119.1° | 120.0° |
| C32 | C35 | C36 | C43 | 179.5° | 179.7° |
| C32 | C35 | C36 | C38 | 179.3° | 180.0° |
| C32 | C35 | C36 | H361 | 0.7° | 0.0° |
| C32 | C35 | C43 | C41 | 179.3° | 179.8° |
| C32 | C35 | C43 | H431 | 0.7° | 0.2° |
| H321 | C32 | C35 | C36 | 115.7° | 30.0° |
| H321 | C32 | C35 | C43 | 63.9° | 149.7° |
| H322 | C32 | C35 | C36 | 5.7° | 150.0° |
| H322 | C32 | C35 | C43 | 174.8° | 29.8° |
| C35 | C36 | C38 | H361 | 180.0° | 180.0° |
| C35 | C36 | C38 | C40 | 0.1° | 0.0° |
| C35 | C36 | C38 | H381 | 179.9° | 179.9° |
| C36 | C35 | C43 | C41 | 0.2° | 0.5° |
| C36 | C35 | C43 | H431 | 179.8° | 180.0° |
| C43 | C35 | C36 | C38 | 0.3° | 0.3° |
| C43 | C35 | C36 | H361 | 179.8° | 179.8° |
| C35 | C43 | C41 | C40 | 0.0° | 0.5° |
| C35 | C43 | C41 | H431 | 180.0° | 179.5° |
| C35 | C43 | C41 | H411 | 180.0° | 179.7° |
| C36 | C38 | C40 | H381 | 180.0° | 180.0° |
| C36 | C38 | C40 | C41 | 0.2° | 0.0° |
| C36 | C38 | C40 | O45 | 179.1° | 180.0° |
| H361 | C36 | C38 | C40 | 180.0° | 180.0° |
| H361 | C36 | C38 | H381 | 0.0° | 0.0° |
| C38 | C40 | C41 | O45 | 179.2° | 180.0° |
| C38 | C40 | C41 | C43 | 0.2° | 0.2° |
| C38 | C40 | C41 | H411 | 179.8° | 180.0° |
| C38 | C40 | O45 | S46 | 96.8° | 90.1° |
| H381 | C38 | C40 | C41 | 179.8° | 180.0° |
| H381 | C38 | C40 | O45 | 0.9° | 0.0° |
| C40 | C41 | C43 | H411 | 180.0° | 179.8° |
| C40 | C41 | C43 | H431 | 180.0° | 180.0° |
| C41 | C40 | O45 | S46 | 82.4° | 89.9° |
| O45 | C40 | C41 | C43 | 179.0° | 179.8° |
| O45 | C40 | C41 | H411 | 1.0° | 0.0° |
| C40 | O45 | S46 | C47 | 179.6° | 90.0° |
| C40 | O45 | S46 | O51 | 67.9° | 153.8° |
| C40 | O45 | S46 | O52 | 67.6° | 26.2° |
| H411 | C41 | C43 | H431 | 0.0° | 0.2° |
| O45 | S46 | C47 | O51 | 112.8° | 109.7° |
| O45 | S46 | C47 | O52 | 112.8° | 109.7° |
| O45 | S46 | O51 | O52 | 128.5° | 114.2° |
| O45 | S46 | C47 | H471 | 82.2° | 179.9° |
| O45 | S46 | C47 | H472 | 157.8° | 59.9° |
| O45 | S46 | C47 | H473 | 37.8° | 60.0° |
| C47 | S46 | O51 | O52 | 126.6° | 135.8° |
| S46 | C47 | H471 | H472 | 120.0° | 120.1° |
| S46 | C47 | H471 | H473 | 120.0° | 119.9° |
| S46 | C47 | H472 | H473 | 120.0° | 119.9° |
| O51 | S46 | C47 | H471 | 165.0° | 70.2° |
| O51 | S46 | C47 | H472 | 45.0° | 169.7° |
| O51 | S46 | C47 | H473 | 75.0° | 49.7° |
| O52 | S46 | C47 | H471 | 30.6° | 70.4° |
| O52 | S46 | C47 | H472 | 89.4° | 49.8° |
| O52 | S46 | C47 | H473 | 150.6° | 169.7° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
