VGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.38Å | |
| C16 | C17 | sing | 1.53Å | 1.39Å | |
| C15 | C14 | sing | 1.53Å | 1.39Å | |
| C17 | C18 | sing | 1.53Å | 1.39Å | |
| C14 | C12 | sing | 1.53Å | 1.39Å | |
| C18 | C12 | sing | 1.53Å | 1.37Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | O13 | doub | 1.21Å | 1.16Å | |
| C11 | N10 | sing | 1.35Å | 1.42Å | |
| N10 | C08 | sing | 1.39Å | 1.42Å | |
| C08 | N07 | doub | 1.30Å | 1.38Å | Aromatic |
| C08 | S09 | sing | 1.71Å | 1.56Å | Aromatic |
| N07 | N06 | sing | 1.26Å | 1.55Å | Aromatic |
| S09 | C05 | sing | 1.76Å | 1.56Å | Aromatic |
| N06 | C05 | doub | 1.30Å | 1.38Å | Aromatic |
| C05 | S01 | sing | 1.76Å | 1.78Å | |
| N04 | S01 | sing | 1.66Å | 1.70Å | |
| O02 | S01 | doub | 1.42Å | 1.47Å | |
| S01 | O03 | doub | 1.42Å | 1.46Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| N04 | H6 | sing | 0.97Å | 1.00Å | |
| N04 | H7 | sing | 0.97Å | 1.00Å | |
| N10 | H8 | sing | 0.97Å | 1.00Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 120.0° | 109.5° |
| C16 | C15 | C14 | 118.3° | 109.5° |
| C16 | C15 | H1 | 107.2° | 109.4° |
| C15 | C16 | H4 | 106.8° | 109.5° |
| C16 | C15 | H9 | 107.2° | 109.4° |
| C15 | C16 | H13 | 106.8° | 109.5° |
| C16 | C17 | C18 | 121.5° | 109.5° |
| C16 | C17 | H2 | 106.4° | 109.5° |
| C17 | C16 | H4 | 106.8° | 109.5° |
| C16 | C17 | H10 | 106.4° | 109.5° |
| C17 | C16 | H13 | 106.8° | 109.4° |
| C15 | C14 | C12 | 121.5° | 109.5° |
| C14 | C15 | H1 | 107.2° | 109.5° |
| C15 | C14 | H3 | 106.4° | 109.5° |
| C14 | C15 | H9 | 107.3° | 109.5° |
| C15 | C14 | H12 | 106.4° | 109.5° |
| C17 | C18 | C12 | 118.4° | 109.5° |
| C18 | C17 | H2 | 106.4° | 109.5° |
| C17 | C18 | H5 | 107.2° | 109.5° |
| C18 | C17 | H10 | 106.4° | 109.4° |
| C17 | C18 | H14 | 107.2° | 109.5° |
| C14 | C12 | C18 | 120.1° | 109.5° |
| C14 | C12 | C11 | 115.4° | 109.5° |
| C12 | C14 | H3 | 106.4° | 109.5° |
| C14 | C12 | H11 | 91.7° | 109.5° |
| C12 | C14 | H12 | 106.4° | 109.5° |
| C18 | C12 | C11 | 124.3° | 109.5° |
| C12 | C18 | H5 | 107.2° | 109.5° |
| C18 | C12 | H11 | 91.7° | 109.5° |
| C12 | C18 | H14 | 107.2° | 109.4° |
| C12 | C11 | O13 | 122.9° | 120.0° |
| C12 | C11 | N10 | 116.9° | 120.0° |
| C11 | C12 | H11 | 91.5° | 109.4° |
| O13 | C11 | N10 | 120.1° | 120.0° |
| C11 | N10 | C08 | 120.1° | 120.0° |
| C11 | N10 | H8 | 120.0° | 120.0° |
| N10 | C08 | N07 | 116.1° | 125.6° |
| N10 | C08 | S09 | 130.7° | 125.7° |
| C08 | N10 | H8 | 119.9° | 120.0° |
| N07 | C08 | S09 | 112.7° | 108.7° |
| C08 | N07 | N06 | 108.6° | 117.6° |
| C08 | S09 | C05 | 98.3° | 89.4° |
| N07 | N06 | C05 | 105.8° | 116.6° |
| S09 | C05 | N06 | 114.6° | 107.7° |
| S09 | C05 | S01 | 128.8° | 126.1° |
| N06 | C05 | S01 | 116.6° | 126.2° |
| C05 | S01 | N04 | 108.9° | 107.3° |
| C05 | S01 | O02 | 105.7° | 106.4° |
| C05 | S01 | O03 | 108.1° | 106.4° |
| N04 | S01 | O02 | 112.9° | 106.4° |
| N04 | S01 | O03 | 111.2° | 106.4° |
| S01 | N04 | H6 | 109.5° | 119.9° |
| S01 | N04 | H7 | 109.4° | 120.0° |
| O02 | S01 | O03 | 109.7° | 123.2° |
| H1 | C15 | H9 | 109.5° | 109.5° |
| H2 | C17 | H10 | 109.5° | 109.5° |
| H3 | C14 | H12 | 109.5° | 109.5° |
| H4 | C16 | H13 | 109.5° | 109.5° |
| H5 | C18 | H14 | 109.4° | 109.5° |
| H6 | N04 | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H4 | 121.5° | 120.0° |
| C15 | C16 | C17 | H13 | 121.5° | 120.0° |
| C16 | C15 | C14 | H1 | 121.3° | 120.0° |
| C16 | C15 | C14 | H9 | 121.2° | 120.0° |
| C15 | C16 | C17 | C18 | 1.3° | 60.0° |
| C16 | C15 | C14 | C12 | 2.4° | 60.0° |
| C16 | C15 | H1 | H9 | 116.0° | 119.9° |
| C15 | C16 | C17 | H2 | 120.4° | 60.0° |
| C16 | C15 | C14 | H3 | 119.3° | 60.0° |
| C15 | C16 | H4 | H13 | 115.2° | 120.0° |
| C15 | C16 | C17 | H10 | 122.9° | 180.0° |
| C16 | C15 | C14 | H12 | 124.1° | 180.0° |
| C17 | C16 | C15 | C14 | 1.0° | 60.0° |
| C16 | C17 | C18 | H2 | 121.7° | 120.0° |
| C16 | C17 | C18 | H10 | 121.7° | 120.1° |
| C16 | C17 | C18 | C12 | 2.7° | 60.0° |
| C17 | C16 | C15 | H1 | 122.3° | 60.0° |
| C16 | C17 | H2 | H10 | 114.6° | 120.1° |
| C17 | C16 | H4 | H13 | 115.2° | 119.9° |
| C16 | C17 | C18 | H5 | 124.0° | 180.0° |
| C17 | C16 | C15 | H9 | 120.2° | 180.0° |
| C16 | C17 | C18 | H14 | 118.6° | 60.0° |
| C15 | C14 | C12 | H3 | 121.7° | 120.0° |
| C15 | C14 | C12 | H12 | 121.7° | 120.0° |
| C15 | C14 | C12 | C18 | 4.0° | 60.0° |
| C15 | C14 | C12 | C11 | 178.5° | 180.0° |
| C14 | C15 | H1 | H9 | 116.0° | 120.1° |
| C15 | C14 | H3 | H12 | 114.5° | 120.0° |
| C14 | C15 | C16 | H4 | 122.5° | 180.0° |
| C15 | C14 | C12 | H11 | 89.0° | 60.0° |
| C14 | C15 | C16 | H13 | 120.5° | 60.0° |
| C17 | C18 | C12 | C14 | 4.0° | 60.0° |
| C17 | C18 | C12 | H5 | 121.3° | 120.0° |
| C17 | C18 | C12 | H14 | 121.3° | 120.0° |
| C17 | C18 | C12 | C11 | 178.1° | 180.0° |
| C18 | C17 | H2 | H10 | 114.6° | 119.9° |
| C18 | C17 | C16 | H4 | 122.8° | 180.0° |
| C17 | C18 | H5 | H14 | 116.0° | 120.0° |
| C17 | C18 | C12 | H11 | 88.9° | 60.0° |
| C18 | C17 | C16 | H13 | 120.2° | 60.0° |
| C14 | C12 | C18 | C11 | 174.1° | 120.1° |
| C14 | C12 | C18 | H11 | 92.9° | 120.0° |
| C14 | C12 | C11 | H11 | 92.6° | 120.0° |
| C14 | C12 | C11 | O13 | 135.3° | 0.0° |
| C14 | C12 | C11 | N10 | 41.1° | 180.0° |
| C12 | C14 | C15 | H1 | 123.7° | 60.0° |
| C12 | C14 | H3 | H12 | 114.6° | 120.0° |
| C14 | C12 | C18 | H5 | 125.3° | 179.9° |
| C12 | C14 | C15 | H9 | 118.9° | 180.0° |
| C14 | C12 | C18 | H14 | 117.3° | 60.0° |
| C18 | C12 | C11 | H11 | 93.1° | 120.0° |
| C18 | C12 | C11 | O13 | 39.0° | 120.0° |
| C18 | C12 | C11 | N10 | 144.5° | 60.0° |
| C12 | C18 | C17 | H2 | 118.9° | 60.0° |
| C18 | C12 | C14 | H3 | 117.7° | 60.0° |
| C12 | C18 | H5 | H14 | 115.9° | 120.0° |
| C12 | C18 | C17 | H10 | 124.4° | 180.0° |
| C18 | C12 | C14 | H12 | 125.6° | 180.0° |
| C12 | C11 | O13 | N10 | 176.3° | 180.0° |
| C12 | C11 | N10 | C08 | 172.8° | 180.0° |
| C11 | C12 | C14 | H3 | 56.9° | 60.0° |
| C11 | C12 | C18 | H5 | 60.6° | 60.0° |
| C12 | C11 | N10 | H8 | 7.2° | 0.0° |
| C11 | C12 | C14 | H12 | 59.8° | 60.0° |
| C11 | C12 | C18 | H14 | 56.8° | 60.0° |
| O13 | C11 | N10 | C08 | 3.7° | 0.0° |
| O13 | C11 | N10 | H8 | 176.3° | 180.0° |
| O13 | C11 | C12 | H11 | 132.1° | 120.0° |
| C11 | N10 | C08 | H8 | 180.0° | 180.0° |
| C11 | N10 | C08 | N07 | 172.2° | 0.1° |
| C11 | N10 | C08 | S09 | 0.7° | 179.7° |
| N10 | C11 | C12 | H11 | 51.5° | 60.0° |
| N10 | C08 | N07 | S09 | 173.1° | 179.8° |
| N10 | C08 | N07 | N06 | 176.0° | 180.0° |
| N10 | C08 | S09 | C05 | 174.3° | 179.9° |
| N07 | C08 | S09 | C05 | 2.5° | 0.3° |
| C08 | N07 | N06 | C05 | 2.1° | 0.0° |
| N07 | C08 | N10 | H8 | 7.8° | 179.9° |
| S09 | C08 | N07 | N06 | 3.0° | 0.3° |
| C08 | S09 | C05 | N06 | 1.1° | 0.3° |
| C08 | S09 | C05 | S01 | 179.0° | 180.0° |
| S09 | C08 | N10 | H8 | 179.3° | 0.3° |
| N07 | N06 | C05 | S09 | 0.5° | 0.3° |
| N07 | N06 | C05 | S01 | 179.4° | 180.0° |
| S09 | C05 | N06 | S01 | 179.9° | 179.7° |
| S09 | C05 | S01 | N04 | 121.8° | 89.7° |
| S09 | C05 | S01 | O02 | 0.2° | 23.9° |
| S09 | C05 | S01 | O03 | 117.2° | 156.8° |
| N06 | C05 | S01 | N04 | 58.1° | 90.0° |
| N06 | C05 | S01 | O02 | 179.6° | 156.5° |
| N06 | C05 | S01 | O03 | 62.9° | 23.6° |
| C05 | S01 | N04 | O02 | 117.1° | 113.6° |
| C05 | S01 | N04 | O03 | 119.1° | 113.5° |
| C05 | S01 | O02 | O03 | 116.4° | 122.9° |
| C05 | S01 | N04 | H6 | 180.0° | 0.0° |
| C05 | S01 | N04 | H7 | 60.0° | 180.0° |
| N04 | S01 | O02 | O03 | 124.7° | 122.9° |
| S01 | N04 | H6 | H7 | 120.0° | 180.0° |
| O02 | S01 | N04 | H6 | 62.9° | 113.6° |
| O02 | S01 | N04 | H7 | 57.1° | 66.5° |
| O03 | S01 | N04 | H6 | 60.9° | 113.5° |
| O03 | S01 | N04 | H7 | 179.1° | 66.4° |
| H1 | C15 | C14 | H3 | 2.0° | 180.0° |
| H1 | C15 | C16 | H4 | 116.2° | 60.0° |
| H1 | C15 | C14 | H12 | 114.7° | 60.0° |
| H1 | C15 | C16 | H13 | 0.8° | 180.0° |
| H2 | C17 | C16 | H4 | 1.1° | 60.0° |
| H2 | C17 | C18 | H5 | 2.4° | 60.0° |
| H2 | C17 | C16 | H13 | 118.1° | 180.0° |
| H2 | C17 | C18 | H14 | 119.8° | 180.0° |
| H3 | C14 | C15 | H9 | 119.5° | 60.0° |
| H3 | C14 | C12 | H11 | 149.4° | 180.0° |
| H4 | C16 | C15 | H9 | 1.3° | 60.0° |
| H4 | C16 | C17 | H10 | 115.6° | 60.0° |
| H5 | C18 | C17 | H10 | 114.3° | 60.0° |
| H5 | C18 | C12 | H11 | 32.4° | 60.0° |
| H9 | C15 | C14 | H12 | 2.8° | 60.1° |
| H9 | C15 | C16 | H13 | 118.3° | 60.0° |
| H10 | C17 | C16 | H13 | 1.4° | 59.9° |
| H10 | C17 | C18 | H14 | 3.1° | 60.1° |
| H11 | C12 | C14 | H12 | 32.7° | 60.0° |
| H11 | C12 | C18 | H14 | 149.8° | 180.0° |
