HV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.47Å | 1.53Å | |
| C07 | C08 | doub | 1.36Å | 1.32Å | |
| O14 | C09 | doub | 1.22Å | 1.18Å | |
| C16 | C17 | sing | 1.47Å | 1.53Å | |
| C16 | O15 | sing | 1.43Å | 1.40Å | |
| C06 | C01 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | trip | 1.17Å | 1.19Å | |
| C09 | C08 | sing | 1.47Å | 1.44Å | |
| C09 | N10 | sing | 1.32Å | 1.42Å | |
| C08 | S12 | sing | 1.77Å | 1.67Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | O15 | sing | 1.36Å | 1.40Å | |
| N10 | C11 | sing | 1.34Å | 1.34Å | |
| S12 | C11 | sing | 1.77Å | 1.64Å | |
| C11 | S13 | doub | 1.71Å | 1.59Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.05Å | 1.06Å | |
| N10 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 126.6° | 120.0° |
| C07 | C06 | C01 | 118.1° | 120.1° |
| C07 | C06 | C05 | 122.5° | 120.1° |
| C06 | C07 | H5 | 116.7° | 120.0° |
| C07 | C08 | C09 | 123.6° | 128.0° |
| C07 | C08 | S12 | 128.9° | 128.0° |
| C08 | C07 | H5 | 116.7° | 120.0° |
| O14 | C09 | C08 | 125.6° | 122.5° |
| O14 | C09 | N10 | 125.5° | 122.5° |
| C17 | C16 | O15 | 108.9° | 109.5° |
| C16 | C17 | C18 | 179.7° | 180.0° |
| C17 | C16 | H6 | 109.6° | 109.5° |
| C17 | C16 | H7 | 109.6° | 109.4° |
| C16 | O15 | C03 | 113.5° | 117.0° |
| O15 | C16 | H6 | 109.6° | 109.5° |
| O15 | C16 | H7 | 109.6° | 109.5° |
| C01 | C06 | C05 | 119.4° | 119.8° |
| C06 | C01 | C02 | 120.3° | 119.9° |
| C06 | C01 | H1 | 119.9° | 120.1° |
| C06 | C05 | C04 | 120.5° | 119.8° |
| C06 | C05 | H4 | 119.7° | 120.1° |
| C01 | C02 | C03 | 120.1° | 120.1° |
| C02 | C01 | H1 | 119.9° | 120.0° |
| C01 | C02 | H2 | 120.0° | 120.0° |
| C05 | C04 | C03 | 119.8° | 120.1° |
| C05 | C04 | H3 | 120.1° | 119.9° |
| C04 | C05 | H4 | 119.7° | 120.1° |
| C17 | C18 | H8 | 180.0° | 180.0° |
| C08 | C09 | N10 | 108.8° | 115.0° |
| C09 | C08 | S12 | 107.5° | 104.1° |
| C09 | N10 | C11 | 117.3° | 119.5° |
| C09 | N10 | H9 | 121.3° | 120.3° |
| C08 | S12 | C11 | 98.3° | 94.6° |
| C02 | C03 | C04 | 120.0° | 120.3° |
| C02 | C03 | O15 | 120.0° | 119.9° |
| C03 | C02 | H2 | 120.0° | 119.9° |
| C04 | C03 | O15 | 120.0° | 119.9° |
| C03 | C04 | H3 | 120.1° | 120.0° |
| N10 | C11 | S12 | 108.0° | 106.9° |
| N10 | C11 | S13 | 125.7° | 126.5° |
| C11 | N10 | H9 | 121.3° | 120.2° |
| S12 | C11 | S13 | 126.3° | 126.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H5 | 180.0° | 180.0° |
| C07 | C06 | C01 | C05 | 179.1° | 179.4° |
| C07 | C06 | C01 | C02 | 179.6° | 180.0° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C06 | C07 | C08 | C09 | 165.8° | 172.2° |
| C06 | C07 | C08 | S12 | 14.9° | 7.5° |
| C07 | C06 | C01 | H1 | 0.4° | 0.3° |
| C07 | C06 | C05 | H4 | 0.2° | 0.3° |
| C07 | C08 | C09 | O14 | 0.3° | 0.0° |
| C08 | C07 | C06 | C01 | 146.8° | 159.3° |
| C08 | C07 | C06 | C05 | 34.1° | 21.3° |
| C07 | C08 | C09 | S12 | 179.4° | 179.7° |
| C07 | C08 | C09 | N10 | 179.2° | 180.0° |
| C07 | C08 | S12 | C11 | 179.4° | 179.9° |
| O14 | C09 | C08 | N10 | 179.6° | 180.0° |
| O14 | C09 | C08 | S12 | 179.7° | 179.7° |
| O14 | C09 | N10 | C11 | 180.0° | 180.0° |
| O14 | C09 | N10 | H9 | 0.0° | 0.0° |
| C17 | C16 | O15 | H6 | 119.9° | 120.0° |
| C17 | C16 | O15 | H7 | 119.9° | 120.0° |
| C17 | C16 | O15 | C03 | 177.8° | 180.0° |
| C17 | C16 | H6 | H7 | 120.3° | 120.0° |
| C16 | C17 | C18 | H8 | 31.0° | 177.1° |
| O15 | C16 | C17 | C18 | 148.6° | 53.5° |
| C16 | O15 | C03 | C02 | 132.9° | 180.0° |
| C16 | O15 | C03 | C04 | 46.9° | 0.0° |
| O15 | C16 | H6 | H7 | 120.2° | 120.0° |
| C06 | C01 | C02 | H1 | 180.0° | 179.7° |
| C01 | C06 | C05 | C04 | 0.7° | 0.6° |
| C06 | C01 | C02 | C03 | 0.1° | 0.2° |
| C06 | C01 | C02 | H2 | 179.9° | 179.7° |
| C01 | C06 | C05 | H4 | 179.3° | 179.7° |
| C01 | C06 | C07 | H5 | 33.2° | 20.7° |
| C05 | C06 | C01 | C02 | 0.5° | 0.5° |
| C06 | C05 | C04 | H4 | 180.0° | 179.7° |
| C06 | C05 | C04 | C03 | 0.5° | 0.3° |
| C05 | C06 | C01 | H1 | 179.5° | 179.7° |
| C06 | C05 | C04 | H3 | 179.5° | 179.7° |
| C05 | C06 | C07 | H5 | 145.9° | 158.7° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | O15 | 179.9° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | O15 | 179.7° | 180.0° |
| C18 | C17 | C16 | H6 | 28.7° | 66.5° |
| C18 | C17 | C16 | H7 | 91.5° | 173.5° |
| C08 | C09 | N10 | C11 | 0.4° | 0.1° |
| C09 | C08 | S12 | C11 | 0.1° | 0.3° |
| C09 | C08 | C07 | H5 | 14.1° | 7.8° |
| C08 | C09 | N10 | H9 | 179.6° | 180.0° |
| N10 | C09 | C08 | S12 | 0.2° | 0.3° |
| C09 | N10 | C11 | H9 | 180.0° | 180.0° |
| C09 | N10 | C11 | S12 | 0.5° | 0.2° |
| C09 | N10 | C11 | S13 | 179.7° | 180.0° |
| C08 | S12 | C11 | N10 | 0.3° | 0.3° |
| C08 | S12 | C11 | S13 | 179.8° | 179.9° |
| S12 | C08 | C07 | H5 | 165.1° | 172.5° |
| C02 | C03 | C04 | O15 | 179.8° | 179.9° |
| C03 | C02 | C01 | H1 | 179.9° | 180.0° |
| C02 | C03 | C04 | H3 | 179.9° | 180.0° |
| C04 | C03 | C02 | H2 | 179.9° | 180.0° |
| C03 | C04 | C05 | H4 | 179.5° | 180.0° |
| O15 | C03 | C02 | H2 | 0.1° | 0.1° |
| O15 | C03 | C04 | H3 | 0.3° | 0.0° |
| C03 | O15 | C16 | H6 | 62.3° | 60.0° |
| C03 | O15 | C16 | H7 | 57.9° | 60.0° |
| N10 | C11 | S12 | S13 | 179.9° | 179.8° |
| S12 | C11 | N10 | H9 | 179.5° | 179.8° |
| S13 | C11 | N10 | H9 | 0.3° | 0.0° |
| H1 | C01 | C02 | H2 | 0.1° | 0.0° |
| H3 | C04 | C05 | H4 | 0.5° | 0.0° |
