VIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| C14 | C12 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| N10 | C02 | sing | 1.34Å | 1.41Å | |
| N10 | C15 | sing | 1.39Å | 1.37Å | |
| N16 | C15 | doub | 1.30Å | 1.31Å | |
| N16 | N17 | sing | 1.40Å | 1.38Å | |
| C02 | C03 | sing | 1.42Å | 1.44Å | |
| C15 | N09 | sing | 1.37Å | 1.36Å | |
| N17 | C18 | sing | 1.35Å | 1.40Å | |
| C03 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | S04 | sing | 1.76Å | 1.71Å | Aromatic |
| N09 | C18 | sing | 1.35Å | 1.38Å | |
| N09 | C08 | sing | 1.40Å | 1.38Å | |
| C18 | S19 | doub | 1.71Å | 1.68Å | |
| C08 | C07 | sing | 1.39Å | 1.43Å | Aromatic |
| S04 | C05 | sing | 1.70Å | 1.69Å | Aromatic |
| C07 | C05 | doub | 1.33Å | 1.38Å | Aromatic |
| C05 | CL1 | sing | 1.74Å | 1.71Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| N17 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | N10 | 117.7° | 109.5° |
| C11 | C12 | C14 | 116.0° | 117.5° |
| C11 | C12 | C13 | 114.5° | 117.5° |
| C12 | C11 | H4 | 107.4° | 109.5° |
| C12 | C11 | H5 | 107.4° | 109.4° |
| C11 | C12 | H6 | 117.9° | 115.5° |
| C11 | N10 | C02 | 119.2° | 119.8° |
| C11 | N10 | C15 | 118.4° | 119.8° |
| N10 | C11 | H4 | 107.4° | 109.5° |
| N10 | C11 | H5 | 107.4° | 109.5° |
| C12 | C14 | C13 | 59.8° | 60.0° |
| C14 | C12 | C13 | 60.3° | 60.0° |
| C14 | C12 | H6 | 117.7° | 117.6° |
| C12 | C14 | H7 | 120.0° | 117.5° |
| C12 | C14 | H8 | 120.0° | 117.5° |
| C14 | C13 | C12 | 59.9° | 60.0° |
| C14 | C13 | H1 | 120.0° | 117.5° |
| C14 | C13 | H2 | 120.0° | 117.5° |
| C13 | C14 | H7 | 120.0° | 117.5° |
| C13 | C14 | H8 | 120.0° | 117.5° |
| C12 | C13 | H1 | 120.0° | 117.5° |
| C12 | C13 | H2 | 120.0° | 117.5° |
| C13 | C12 | H6 | 117.7° | 117.5° |
| O01 | C02 | N10 | 123.8° | 119.8° |
| O01 | C02 | C03 | 121.9° | 119.8° |
| C02 | N10 | C15 | 122.1° | 120.4° |
| N10 | C02 | C03 | 114.2° | 120.4° |
| N10 | C15 | N16 | 126.1° | 131.2° |
| N10 | C15 | N09 | 120.4° | 120.3° |
| C15 | N16 | N17 | 104.2° | 108.1° |
| N16 | C15 | N09 | 113.5° | 108.5° |
| N16 | N17 | C18 | 111.2° | 107.4° |
| N16 | N17 | H9 | 124.4° | 126.4° |
| C02 | C03 | C08 | 124.2° | 119.8° |
| C02 | C03 | S04 | 122.0° | 130.9° |
| C15 | N09 | C18 | 107.3° | 108.6° |
| C15 | N09 | C08 | 122.6° | 120.5° |
| N17 | C18 | N09 | 103.8° | 107.5° |
| N17 | C18 | S19 | 126.1° | 126.3° |
| C18 | N17 | H9 | 124.4° | 126.3° |
| C08 | C03 | S04 | 113.8° | 109.3° |
| C03 | C08 | N09 | 116.4° | 118.6° |
| C03 | C08 | C07 | 111.8° | 112.1° |
| C03 | S04 | C05 | 88.7° | 91.8° |
| C18 | N09 | C08 | 130.1° | 130.9° |
| N09 | C18 | S19 | 130.1° | 126.2° |
| N09 | C08 | C07 | 131.8° | 129.2° |
| C08 | C07 | C05 | 108.6° | 115.6° |
| C08 | C07 | H3 | 125.7° | 122.2° |
| S04 | C05 | C07 | 117.0° | 111.2° |
| S04 | C05 | CL1 | 116.5° | 124.4° |
| C07 | C05 | CL1 | 126.4° | 124.4° |
| C05 | C07 | H3 | 125.7° | 122.2° |
| H1 | C13 | H2 | 109.5° | 115.6° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | N10 | H4 | 121.1° | 120.0° |
| C12 | C11 | N10 | H5 | 121.2° | 119.9° |
| C11 | C12 | C14 | C13 | 104.6° | 107.5° |
| C11 | C12 | C14 | H6 | 147.6° | 145.1° |
| C11 | C12 | C13 | H6 | 145.1° | 145.0° |
| C12 | C11 | N10 | C02 | 67.6° | 90.0° |
| C12 | C11 | N10 | C15 | 118.0° | 90.0° |
| C11 | C12 | C13 | H1 | 2.3° | 145.0° |
| C11 | C12 | C13 | H2 | 143.4° | 0.0° |
| C12 | C11 | H4 | H5 | 116.3° | 120.0° |
| C11 | C12 | C14 | H7 | 4.8° | 145.0° |
| C11 | C12 | C14 | H8 | 145.9° | 0.0° |
| N10 | C11 | C12 | C14 | 157.0° | 116.4° |
| N10 | C11 | C12 | C13 | 89.5° | 175.0° |
| C11 | N10 | C02 | O01 | 6.3° | 0.0° |
| C11 | N10 | C02 | C15 | 174.2° | 180.0° |
| C11 | N10 | C15 | N16 | 3.7° | 0.4° |
| C11 | N10 | C02 | C03 | 177.1° | 180.0° |
| C11 | N10 | C15 | N09 | 177.7° | 180.0° |
| N10 | C11 | H4 | H5 | 116.3° | 120.1° |
| N10 | C11 | C12 | H6 | 55.5° | 29.4° |
| C12 | C14 | C13 | H7 | 109.4° | 107.5° |
| C12 | C14 | C13 | H8 | 109.4° | 107.5° |
| C14 | C12 | C13 | H6 | 107.8° | 107.6° |
| C12 | C14 | C13 | H1 | 109.4° | 107.5° |
| C12 | C14 | C13 | H2 | 109.4° | 107.5° |
| C14 | C12 | C11 | H4 | 81.9° | 3.6° |
| C14 | C12 | C11 | H5 | 35.8° | 123.6° |
| C12 | C14 | H7 | H8 | 144.8° | 145.7° |
| C14 | C13 | H1 | H2 | 144.8° | 145.6° |
| C13 | C14 | H7 | H8 | 144.8° | 145.7° |
| C12 | C13 | H1 | H2 | 144.8° | 145.7° |
| C13 | C12 | C11 | H4 | 149.3° | 65.0° |
| C13 | C12 | C11 | H5 | 31.6° | 55.0° |
| O01 | C02 | N10 | C03 | 176.6° | 180.0° |
| O01 | C02 | N10 | C15 | 179.5° | 180.0° |
| O01 | C02 | C03 | C08 | 177.9° | 180.0° |
| O01 | C02 | C03 | S04 | 2.0° | 0.0° |
| C02 | N10 | C15 | N16 | 178.0° | 179.7° |
| C02 | N10 | C15 | N09 | 3.4° | 0.0° |
| N10 | C02 | C03 | C08 | 1.2° | 0.0° |
| N10 | C02 | C03 | S04 | 178.7° | 180.0° |
| C02 | N10 | C11 | H4 | 53.6° | 30.0° |
| C02 | N10 | C11 | H5 | 171.2° | 150.1° |
| N10 | C15 | N16 | N09 | 178.7° | 179.6° |
| N10 | C15 | N16 | N17 | 179.1° | 179.7° |
| C15 | N10 | C02 | C03 | 2.8° | 0.0° |
| N10 | C15 | N09 | C18 | 179.3° | 180.0° |
| N10 | C15 | N09 | C08 | 2.2° | 0.1° |
| C15 | N10 | C11 | H4 | 120.9° | 150.1° |
| C15 | N10 | C11 | H5 | 3.2° | 30.0° |
| C15 | N16 | N17 | C18 | 0.2° | 0.2° |
| N16 | C15 | N09 | C18 | 0.5° | 0.3° |
| N16 | C15 | N09 | C08 | 179.0° | 179.8° |
| C15 | N16 | N17 | H9 | 179.7° | 180.0° |
| N17 | N16 | C15 | N09 | 0.5° | 0.0° |
| N16 | N17 | C18 | H9 | 180.0° | 179.7° |
| N16 | N17 | C18 | N09 | 0.0° | 0.4° |
| N16 | N17 | C18 | S19 | 178.0° | 180.0° |
| C02 | C03 | C08 | S04 | 179.9° | 180.0° |
| C02 | C03 | C08 | N09 | 0.1° | 0.1° |
| C02 | C03 | C08 | C07 | 179.1° | 180.0° |
| C02 | C03 | S04 | C05 | 179.5° | 180.0° |
| C15 | N09 | C18 | N17 | 0.3° | 0.4° |
| C15 | N09 | C08 | C03 | 0.6° | 0.1° |
| C15 | N09 | C18 | C08 | 178.4° | 179.9° |
| C15 | N09 | C18 | S19 | 177.7° | 180.0° |
| C15 | N09 | C08 | C07 | 178.5° | 180.0° |
| N17 | C18 | N09 | S19 | 178.0° | 179.6° |
| N17 | C18 | N09 | C08 | 178.7° | 179.6° |
| C03 | C08 | N09 | C18 | 178.8° | 180.0° |
| C03 | C08 | N09 | C07 | 179.0° | 179.9° |
| C08 | C03 | S04 | C05 | 0.6° | 0.0° |
| C03 | C08 | C07 | C05 | 0.9° | 0.0° |
| C03 | C08 | C07 | H3 | 179.1° | 180.0° |
| S04 | C03 | C08 | N09 | 179.8° | 179.9° |
| S04 | C03 | C08 | C07 | 0.9° | 0.0° |
| C03 | S04 | C05 | C07 | 0.1° | 0.0° |
| C03 | S04 | C05 | CL1 | 179.9° | 180.0° |
| C18 | N09 | C08 | C07 | 0.3° | 0.1° |
| N09 | C18 | N17 | H9 | 180.0° | 179.9° |
| C08 | N09 | C18 | S19 | 0.7° | 0.0° |
| N09 | C08 | C07 | C05 | 179.9° | 179.9° |
| N09 | C08 | C07 | H3 | 0.0° | 0.1° |
| S19 | C18 | N17 | H9 | 2.0° | 0.3° |
| C08 | C07 | C05 | S04 | 0.4° | 0.0° |
| C08 | C07 | C05 | H3 | 180.0° | 180.0° |
| C08 | C07 | C05 | CL1 | 179.6° | 180.0° |
| S04 | C05 | C07 | CL1 | 179.9° | 179.9° |
| S04 | C05 | C07 | H3 | 179.5° | 180.0° |
| CL1 | C05 | C07 | H3 | 0.4° | 0.1° |
| H1 | C13 | C12 | H6 | 142.8° | 0.1° |
| H1 | C13 | C14 | H7 | 0.0° | 0.0° |
| H1 | C13 | C14 | H8 | 141.2° | 145.0° |
| H2 | C13 | C12 | H6 | 1.7° | 145.0° |
| H2 | C13 | C14 | H7 | 141.1° | 145.0° |
| H2 | C13 | C14 | H8 | 0.0° | 0.1° |
| H4 | C11 | C12 | H6 | 65.7° | 149.3° |
| H5 | C11 | C12 | H6 | 176.7° | 90.6° |
| H6 | C12 | C14 | H7 | 142.8° | 0.0° |
| H6 | C12 | C14 | H8 | 1.7° | 145.1° |
