A1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C32 | doub | 1.22Å | 1.25Å | |
| O34 | C32 | sing | 1.35Å | 1.25Å | |
| C32 | C29 | sing | 1.47Å | 1.53Å | |
| C29 | C30 | doub | 1.36Å | 1.36Å | Aromatic |
| C29 | N28 | sing | 1.33Å | 1.41Å | Aromatic |
| C30 | S31 | sing | 1.71Å | 1.74Å | Aromatic |
| N28 | C27 | doub | 1.30Å | 1.30Å | Aromatic |
| S31 | C27 | sing | 1.76Å | 1.79Å | Aromatic |
| C27 | C15 | sing | 1.48Å | 1.40Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N14 | C13 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C13 | C10 | sing | 1.48Å | 1.48Å | |
| C18 | C19 | sing | 1.48Å | 1.46Å | |
| C11 | C10 | doub | 1.35Å | 1.37Å | Aromatic |
| C11 | S12 | sing | 1.76Å | 1.73Å | Aromatic |
| C10 | N09 | sing | 1.32Å | 1.40Å | Aromatic |
| C19 | S23 | sing | 1.76Å | 1.78Å | Aromatic |
| C19 | N20 | doub | 1.30Å | 1.30Å | Aromatic |
| S23 | C22 | sing | 1.71Å | 1.75Å | Aromatic |
| S12 | C08 | sing | 1.76Å | 1.74Å | Aromatic |
| N20 | C21 | sing | 1.33Å | 1.43Å | Aromatic |
| N09 | C08 | doub | 1.30Å | 1.34Å | Aromatic |
| C08 | C05 | sing | 1.48Å | 1.43Å | |
| C22 | C21 | doub | 1.36Å | 1.35Å | Aromatic |
| C21 | C24 | sing | 1.47Å | 1.56Å | |
| O26 | C24 | doub | 1.22Å | 1.23Å | |
| C24 | O25 | sing | 1.35Å | 1.25Å | |
| C05 | C06 | doub | 1.35Å | 1.35Å | Aromatic |
| C05 | N04 | sing | 1.33Å | 1.45Å | Aromatic |
| C06 | S07 | sing | 1.76Å | 1.68Å | Aromatic |
| N04 | C03 | doub | 1.29Å | 1.34Å | Aromatic |
| C03 | S07 | sing | 1.71Å | 1.72Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| N01 | C02 | sing | 1.47Å | 1.47Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| N01 | H3 | sing | 1.01Å | 1.00Å | |
| N01 | H4 | sing | 1.01Å | 1.00Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| O25 | H11 | sing | 0.97Å | 0.95Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| O34 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C32 | O34 | 127.1° | 119.9° |
| O33 | C32 | C29 | 117.1° | 120.0° |
| O34 | C32 | C29 | 115.8° | 120.1° |
| C32 | O34 | H13 | 109.5° | 117.1° |
| C32 | C29 | C30 | 123.3° | 122.6° |
| C32 | C29 | N28 | 122.4° | 122.5° |
| C30 | C29 | N28 | 114.4° | 114.8° |
| C29 | C30 | S31 | 110.4° | 109.0° |
| C29 | C30 | H12 | 124.8° | 125.5° |
| C29 | N28 | C27 | 113.5° | 115.9° |
| C30 | S31 | C27 | 89.5° | 90.6° |
| S31 | C30 | H12 | 124.8° | 125.5° |
| N28 | C27 | S31 | 112.3° | 109.6° |
| N28 | C27 | C15 | 130.6° | 125.2° |
| S31 | C27 | C15 | 117.1° | 125.2° |
| C27 | C15 | C16 | 123.5° | 119.5° |
| C27 | C15 | N14 | 116.6° | 119.5° |
| C16 | C15 | N14 | 119.9° | 120.9° |
| C15 | C16 | C17 | 117.7° | 119.5° |
| C15 | C16 | H10 | 121.2° | 120.3° |
| C15 | N14 | C13 | 123.2° | 121.7° |
| C16 | C17 | C18 | 122.9° | 118.5° |
| C16 | C17 | H1 | 118.6° | 120.8° |
| C17 | C16 | H10 | 121.1° | 120.3° |
| N14 | C13 | C18 | 122.4° | 120.4° |
| N14 | C13 | C10 | 112.7° | 119.8° |
| C17 | C18 | C13 | 114.0° | 119.0° |
| C17 | C18 | C19 | 117.0° | 120.5° |
| C18 | C17 | H1 | 118.5° | 120.8° |
| C18 | C13 | C10 | 124.8° | 119.8° |
| C13 | C18 | C19 | 128.9° | 120.5° |
| C13 | C10 | C11 | 121.6° | 122.4° |
| C13 | C10 | N09 | 125.5° | 122.3° |
| C18 | C19 | S23 | 119.1° | 125.2° |
| C18 | C19 | N20 | 128.9° | 125.2° |
| C10 | C11 | S12 | 111.9° | 108.2° |
| C11 | C10 | N09 | 112.9° | 115.3° |
| C10 | C11 | H9 | 124.1° | 125.8° |
| C11 | S12 | C08 | 89.6° | 90.0° |
| S12 | C11 | H9 | 124.1° | 125.9° |
| C10 | N09 | C08 | 112.7° | 117.0° |
| S23 | C19 | N20 | 111.8° | 109.6° |
| C19 | S23 | C22 | 90.8° | 90.7° |
| C19 | N20 | C21 | 112.5° | 115.9° |
| S23 | C22 | C21 | 108.9° | 109.0° |
| S23 | C22 | H2 | 125.5° | 125.5° |
| S12 | C08 | N09 | 112.9° | 109.4° |
| S12 | C08 | C05 | 120.3° | 125.3° |
| N20 | C21 | C22 | 116.0° | 114.9° |
| N20 | C21 | C24 | 122.1° | 122.5° |
| N09 | C08 | C05 | 126.8° | 125.3° |
| C08 | C05 | C06 | 121.2° | 123.0° |
| C08 | C05 | N04 | 126.8° | 123.0° |
| C22 | C21 | C24 | 121.9° | 122.6° |
| C21 | C22 | H2 | 125.6° | 125.4° |
| C21 | C24 | O26 | 115.9° | 120.0° |
| C21 | C24 | O25 | 116.5° | 120.0° |
| O26 | C24 | O25 | 127.5° | 120.0° |
| C24 | O25 | H11 | 109.5° | 117.0° |
| C06 | C05 | N04 | 112.0° | 114.0° |
| C05 | C06 | S07 | 112.7° | 107.9° |
| C05 | C06 | H8 | 123.6° | 126.1° |
| C05 | N04 | C03 | 110.7° | 117.1° |
| C06 | S07 | C03 | 91.4° | 90.5° |
| S07 | C06 | H8 | 123.6° | 126.1° |
| N04 | C03 | S07 | 113.1° | 110.5° |
| N04 | C03 | C02 | 127.7° | 124.7° |
| S07 | C03 | C02 | 119.2° | 124.8° |
| C03 | C02 | N01 | 116.3° | 109.5° |
| C03 | C02 | H6 | 107.7° | 109.5° |
| C03 | C02 | H7 | 107.7° | 109.5° |
| C02 | N01 | H3 | 109.5° | 111.1° |
| C02 | N01 | H4 | 109.5° | 111.0° |
| N01 | C02 | H6 | 107.7° | 109.5° |
| N01 | C02 | H7 | 107.7° | 109.5° |
| H3 | N01 | H4 | 109.5° | 111.0° |
| H6 | C02 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C32 | O34 | C29 | 179.3° | 179.9° |
| O33 | C32 | C29 | C30 | 5.1° | 0.1° |
| O33 | C32 | C29 | N28 | 174.8° | 179.7° |
| O33 | C32 | O34 | H13 | 0.0° | 0.1° |
| O34 | C32 | C29 | C30 | 175.5° | 180.0° |
| O34 | C32 | C29 | N28 | 4.6° | 0.4° |
| C32 | C29 | C30 | N28 | 179.9° | 179.7° |
| C32 | C29 | C30 | S31 | 179.5° | 180.0° |
| C32 | C29 | N28 | C27 | 179.5° | 179.7° |
| C32 | C29 | C30 | H12 | 0.5° | 0.3° |
| C29 | C32 | O34 | H13 | 179.3° | 180.0° |
| C29 | C30 | S31 | H12 | 180.0° | 179.7° |
| C30 | C29 | N28 | C27 | 0.6° | 0.0° |
| C29 | C30 | S31 | C27 | 0.9° | 0.4° |
| N28 | C29 | C30 | S31 | 0.4° | 0.3° |
| C29 | N28 | C27 | S31 | 1.2° | 0.2° |
| C29 | N28 | C27 | C15 | 179.3° | 180.0° |
| N28 | C29 | C30 | H12 | 179.6° | 180.0° |
| C30 | S31 | C27 | N28 | 1.2° | 0.3° |
| C30 | S31 | C27 | C15 | 179.2° | 179.9° |
| N28 | C27 | S31 | C15 | 179.6° | 179.8° |
| N28 | C27 | C15 | C16 | 11.6° | 180.0° |
| N28 | C27 | C15 | N14 | 170.4° | 0.3° |
| S31 | C27 | C15 | C16 | 167.8° | 0.3° |
| S31 | C27 | C15 | N14 | 10.2° | 179.5° |
| C27 | S31 | C30 | H12 | 179.1° | 179.9° |
| C27 | C15 | C16 | N14 | 177.9° | 179.7° |
| C27 | C15 | C16 | C17 | 178.2° | 180.0° |
| C27 | C15 | N14 | C13 | 178.5° | 179.7° |
| C27 | C15 | C16 | H10 | 1.8° | 0.3° |
| C15 | C16 | C17 | H10 | 180.0° | 179.6° |
| C16 | C15 | N14 | C13 | 0.4° | 0.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.6° |
| C15 | C16 | C17 | H1 | 179.0° | 180.0° |
| N14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | N14 | C13 | C18 | 0.7° | 0.0° |
| C15 | N14 | C13 | C10 | 178.3° | 179.7° |
| N14 | C15 | C16 | H10 | 179.8° | 179.9° |
| C16 | C17 | C18 | H1 | 180.0° | 179.5° |
| C16 | C17 | C18 | C13 | 2.0° | 0.5° |
| C16 | C17 | C18 | C19 | 178.5° | 179.4° |
| N14 | C13 | C18 | C17 | 1.9° | 0.3° |
| N14 | C13 | C18 | C10 | 177.3° | 179.7° |
| N14 | C13 | C18 | C19 | 177.8° | 179.7° |
| N14 | C13 | C10 | C11 | 1.7° | 67.9° |
| N14 | C13 | C10 | N09 | 176.6° | 111.9° |
| C17 | C18 | C13 | C19 | 176.0° | 180.0° |
| C17 | C18 | C13 | C10 | 179.2° | 180.0° |
| C17 | C18 | C19 | S23 | 114.9° | 173.2° |
| C17 | C18 | C19 | N20 | 60.4° | 6.9° |
| C18 | C17 | C16 | H10 | 178.9° | 179.8° |
| C18 | C13 | C10 | C11 | 179.2° | 112.4° |
| C18 | C13 | C10 | N09 | 1.0° | 67.8° |
| C13 | C18 | C19 | S23 | 60.9° | 6.8° |
| C13 | C18 | C19 | N20 | 123.7° | 173.1° |
| C13 | C18 | C17 | H1 | 178.0° | 180.0° |
| C10 | C13 | C18 | C19 | 4.9° | 0.0° |
| C13 | C10 | C11 | N09 | 178.5° | 179.8° |
| C13 | C10 | C11 | S12 | 179.3° | 179.8° |
| C13 | C10 | N09 | C08 | 179.2° | 179.9° |
| C13 | C10 | C11 | H9 | 0.7° | 0.3° |
| C18 | C19 | S23 | N20 | 176.1° | 179.9° |
| C18 | C19 | S23 | C22 | 177.4° | 180.0° |
| C18 | C19 | N20 | C21 | 177.3° | 179.8° |
| C19 | C18 | C17 | H1 | 1.5° | 0.0° |
| C10 | C11 | S12 | H9 | 180.0° | 180.0° |
| C10 | C11 | S12 | C08 | 0.5° | 0.1° |
| C11 | C10 | N09 | C08 | 0.8° | 0.1° |
| S12 | C11 | C10 | N09 | 0.9° | 0.0° |
| C11 | S12 | C08 | N09 | 0.0° | 0.2° |
| C11 | S12 | C08 | C05 | 178.6° | 180.0° |
| C10 | N09 | C08 | S12 | 0.4° | 0.2° |
| C10 | N09 | C08 | C05 | 178.0° | 180.0° |
| N09 | C10 | C11 | H9 | 179.2° | 180.0° |
| S23 | C19 | N20 | C21 | 1.7° | 0.2° |
| C19 | S23 | C22 | C21 | 0.5° | 0.2° |
| C19 | S23 | C22 | H2 | 179.5° | 179.9° |
| N20 | C19 | S23 | C22 | 1.3° | 0.0° |
| C19 | N20 | C21 | C22 | 1.3° | 0.3° |
| C19 | N20 | C21 | C24 | 179.8° | 180.0° |
| S23 | C22 | C21 | N20 | 0.3° | 0.4° |
| S23 | C22 | C21 | H2 | 180.0° | 179.9° |
| S23 | C22 | C21 | C24 | 179.1° | 180.0° |
| S12 | C08 | N09 | C05 | 178.4° | 179.7° |
| S12 | C08 | C05 | C06 | 175.6° | 0.4° |
| S12 | C08 | C05 | N04 | 2.5° | 179.6° |
| C08 | S12 | C11 | H9 | 179.5° | 179.8° |
| N20 | C21 | C22 | C24 | 178.8° | 179.6° |
| N20 | C21 | C24 | O26 | 5.6° | 179.7° |
| N20 | C21 | C24 | O25 | 172.2° | 0.4° |
| N20 | C21 | C22 | H2 | 179.7° | 179.7° |
| N09 | C08 | C05 | C06 | 2.7° | 179.9° |
| N09 | C08 | C05 | N04 | 179.2° | 0.1° |
| C08 | C05 | C06 | N04 | 178.3° | 180.0° |
| C08 | C05 | C06 | S07 | 179.2° | 180.0° |
| C08 | C05 | N04 | C03 | 179.6° | 180.0° |
| C08 | C05 | C06 | H8 | 0.8° | 0.0° |
| C22 | C21 | C24 | O26 | 175.7° | 0.1° |
| C22 | C21 | C24 | O25 | 6.5° | 179.9° |
| C21 | C24 | O26 | O25 | 177.5° | 180.0° |
| C24 | C21 | C22 | H2 | 0.9° | 0.1° |
| C21 | C24 | O25 | H11 | 177.5° | 180.0° |
| O26 | C24 | O25 | H11 | 0.0° | 0.0° |
| C05 | C06 | S07 | H8 | 180.0° | 180.0° |
| C06 | C05 | N04 | C03 | 1.4° | 0.0° |
| C05 | C06 | S07 | C03 | 0.1° | 0.0° |
| N04 | C05 | C06 | S07 | 0.9° | 0.0° |
| C05 | N04 | C03 | S07 | 1.3° | 0.0° |
| C05 | N04 | C03 | C02 | 179.3° | 179.8° |
| N04 | C05 | C06 | H8 | 179.1° | 180.0° |
| C06 | S07 | C03 | N04 | 0.7° | 0.0° |
| C06 | S07 | C03 | C02 | 179.9° | 179.7° |
| N04 | C03 | S07 | C02 | 179.4° | 179.7° |
| N04 | C03 | C02 | N01 | 49.1° | 90.3° |
| N04 | C03 | C02 | H6 | 170.1° | 29.7° |
| N04 | C03 | C02 | H7 | 71.9° | 149.7° |
| S07 | C03 | C02 | N01 | 130.2° | 90.0° |
| S07 | C03 | C02 | H6 | 9.3° | 149.9° |
| S07 | C03 | C02 | H7 | 108.8° | 30.0° |
| C03 | S07 | C06 | H8 | 179.9° | 180.0° |
| C03 | C02 | N01 | H6 | 121.0° | 120.1° |
| C03 | C02 | N01 | H7 | 121.0° | 120.0° |
| C03 | C02 | N01 | H3 | 180.0° | 56.0° |
| C03 | C02 | N01 | H4 | 60.0° | 180.0° |
| C03 | C02 | H6 | H7 | 116.9° | 120.0° |
| C02 | N01 | H3 | H4 | 120.0° | 124.0° |
| N01 | C02 | H6 | H7 | 116.9° | 120.0° |
| H1 | C17 | C16 | H10 | 1.1° | 0.3° |
| H3 | N01 | C02 | H6 | 59.0° | 176.0° |
| H3 | N01 | C02 | H7 | 59.0° | 64.0° |
| H4 | N01 | C02 | H6 | 179.0° | 60.0° |
| H4 | N01 | C02 | H7 | 61.0° | 60.0° |
