JV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | O20 | sing | 1.43Å | 1.41Å | |
| O20 | C19 | sing | 1.36Å | 1.41Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C14 | C13 | sing | 1.54Å | 1.52Å | |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C11 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | N04 | sing | 1.41Å | 1.47Å | |
| N10 | C07 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | N24 | sing | 1.40Å | 1.48Å | |
| C05 | N04 | sing | 1.39Å | 1.47Å | |
| C05 | N06 | doub | 1.33Å | 1.35Å | Aromatic |
| N04 | C03 | sing | 1.47Å | 1.43Å | |
| C07 | N06 | sing | 1.32Å | 1.34Å | Aromatic |
| C07 | N08 | sing | 1.38Å | 1.43Å | |
| N24 | C02 | sing | 1.35Å | 1.43Å | |
| N08 | C09 | sing | 1.46Å | 1.45Å | |
| C03 | C02 | sing | 1.51Å | 1.56Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| N08 | H16 | sing | 0.97Å | 1.00Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O20 | C19 | 115.5° | 117.0° |
| O20 | C21 | H6 | 109.5° | 109.4° |
| O20 | C21 | H7 | 109.5° | 109.4° |
| O20 | C21 | H8 | 109.5° | 109.5° |
| O20 | C19 | C18 | 121.5° | 119.9° |
| O20 | C19 | C22 | 119.5° | 119.8° |
| C19 | C18 | C17 | 120.4° | 120.1° |
| C18 | C19 | C22 | 118.9° | 120.3° |
| C19 | C18 | H5 | 119.8° | 119.9° |
| C18 | C17 | C16 | 120.9° | 119.8° |
| C18 | C17 | H4 | 119.5° | 120.1° |
| C17 | C18 | H5 | 119.8° | 119.9° |
| C19 | C22 | C23 | 120.3° | 119.8° |
| C19 | C22 | H9 | 119.8° | 120.1° |
| C15 | C14 | C13 | 105.0° | 102.3° |
| C14 | C15 | C11 | 108.2° | 105.1° |
| C15 | C14 | H2 | 110.6° | 110.8° |
| C14 | C15 | H3 | 109.8° | 110.3° |
| C15 | C14 | H19 | 110.6° | 110.9° |
| C14 | C15 | H20 | 109.8° | 110.4° |
| C14 | C13 | C12 | 107.5° | 105.2° |
| C14 | C13 | H1 | 110.0° | 110.3° |
| C13 | C14 | H2 | 110.6° | 111.1° |
| C14 | C13 | H18 | 110.0° | 110.4° |
| C13 | C14 | H19 | 110.6° | 110.6° |
| C17 | C16 | C23 | 118.1° | 120.3° |
| C17 | C16 | N04 | 123.8° | 121.1° |
| C16 | C17 | H4 | 119.6° | 120.1° |
| C15 | C11 | C12 | 108.8° | 109.8° |
| C15 | C11 | N10 | 129.5° | 131.1° |
| C11 | C15 | H3 | 109.8° | 110.5° |
| C11 | C15 | H20 | 109.8° | 110.1° |
| C13 | C12 | C11 | 109.5° | 109.9° |
| C13 | C12 | C05 | 134.2° | 131.4° |
| C12 | C13 | H1 | 110.0° | 110.3° |
| C12 | C13 | H18 | 110.0° | 110.3° |
| C22 | C23 | C16 | 121.3° | 119.7° |
| C22 | C23 | N24 | 119.3° | 120.7° |
| C23 | C22 | H9 | 119.9° | 120.1° |
| C12 | C11 | N10 | 121.7° | 119.1° |
| C11 | C12 | C05 | 116.3° | 118.7° |
| C11 | N10 | C07 | 120.9° | 121.0° |
| C12 | C05 | N04 | 122.5° | 120.5° |
| C12 | C05 | N06 | 118.7° | 119.0° |
| C23 | C16 | N04 | 118.1° | 118.6° |
| C16 | C23 | N24 | 119.4° | 119.6° |
| C16 | N04 | C05 | 124.9° | 121.0° |
| C16 | N04 | C03 | 115.8° | 117.9° |
| N10 | C07 | N06 | 119.3° | 121.7° |
| N10 | C07 | N08 | 120.5° | 119.2° |
| C23 | N24 | C02 | 121.9° | 120.8° |
| C23 | N24 | H17 | 119.1° | 119.6° |
| N04 | C05 | N06 | 118.8° | 120.5° |
| C05 | N04 | C03 | 116.7° | 121.1° |
| C05 | N06 | C07 | 123.2° | 120.5° |
| N04 | C03 | C02 | 114.3° | 109.0° |
| N04 | C03 | H10 | 108.2° | 109.6° |
| N04 | C03 | H11 | 108.2° | 109.6° |
| N06 | C07 | N08 | 120.3° | 119.1° |
| C07 | N08 | C09 | 114.7° | 120.0° |
| C07 | N08 | H16 | 108.2° | 120.0° |
| N24 | C02 | C03 | 113.7° | 120.8° |
| N24 | C02 | O01 | 122.0° | 119.7° |
| C02 | N24 | H17 | 119.0° | 119.7° |
| N08 | C09 | H12 | 109.5° | 109.4° |
| N08 | C09 | H13 | 109.4° | 109.5° |
| N08 | C09 | H14 | 109.5° | 109.5° |
| C09 | N08 | H16 | 108.2° | 120.0° |
| C03 | C02 | O01 | 124.3° | 119.5° |
| C02 | C03 | H10 | 108.3° | 109.6° |
| C02 | C03 | H11 | 108.2° | 109.5° |
| H1 | C13 | H18 | 109.5° | 110.2° |
| H2 | C14 | H19 | 109.5° | 110.9° |
| H3 | C15 | H20 | 109.5° | 110.3° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H8 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.4° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C09 | H13 | 109.5° | 109.4° |
| H12 | C09 | H14 | 109.5° | 109.5° |
| H13 | C09 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | O20 | C19 | C18 | 11.5° | 0.0° |
| C21 | O20 | C19 | C22 | 169.3° | 180.0° |
| O20 | C21 | H6 | H7 | 120.0° | 119.9° |
| O20 | C21 | H6 | H8 | 120.0° | 120.0° |
| O20 | C21 | H7 | H8 | 120.0° | 120.0° |
| O20 | C19 | C18 | C22 | 179.2° | 180.0° |
| O20 | C19 | C18 | C17 | 179.5° | 180.0° |
| O20 | C19 | C22 | C23 | 179.7° | 180.0° |
| O20 | C19 | C18 | H5 | 0.5° | 0.1° |
| C19 | O20 | C21 | H6 | 180.0° | 180.0° |
| C19 | O20 | C21 | H7 | 60.0° | 60.0° |
| C19 | O20 | C21 | H8 | 60.0° | 60.0° |
| O20 | C19 | C22 | H9 | 0.3° | 0.1° |
| C19 | C18 | C17 | H5 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.2° | 0.0° |
| C18 | C19 | C22 | C23 | 1.0° | 0.0° |
| C19 | C18 | C17 | H4 | 178.8° | 179.9° |
| C18 | C19 | C22 | H9 | 179.0° | 180.0° |
| C17 | C18 | C19 | C22 | 1.2° | 0.1° |
| C18 | C17 | C16 | H4 | 180.0° | 179.9° |
| C18 | C17 | C16 | C23 | 1.0° | 0.2° |
| C18 | C17 | C16 | N04 | 179.9° | 179.6° |
| C19 | C22 | C23 | H9 | 180.0° | 180.0° |
| C19 | C22 | C23 | C16 | 0.8° | 0.2° |
| C19 | C22 | C23 | N24 | 179.1° | 179.7° |
| C22 | C19 | C18 | H5 | 178.7° | 179.9° |
| C15 | C14 | C13 | H2 | 119.3° | 118.3° |
| C15 | C14 | C13 | H19 | 119.3° | 118.1° |
| C14 | C15 | C11 | H3 | 119.8° | 119.0° |
| C14 | C15 | C11 | H20 | 119.8° | 118.9° |
| C15 | C14 | C13 | C12 | 9.9° | 26.2° |
| C14 | C15 | C11 | C12 | 5.9° | 17.4° |
| C14 | C15 | C11 | N10 | 173.4° | 162.9° |
| C15 | C14 | C13 | H1 | 129.6° | 145.2° |
| C15 | C14 | H2 | H19 | 122.0° | 123.6° |
| C14 | C15 | H3 | H20 | 120.6° | 122.2° |
| C15 | C14 | C13 | H18 | 109.7° | 92.7° |
| C13 | C14 | C15 | C11 | 9.7° | 26.4° |
| C14 | C13 | C12 | H1 | 119.7° | 119.0° |
| C14 | C13 | C12 | H18 | 119.7° | 119.0° |
| C14 | C13 | C12 | C11 | 6.7° | 17.0° |
| C14 | C13 | C12 | C05 | 173.5° | 162.9° |
| C14 | C13 | H1 | H18 | 120.9° | 122.2° |
| C13 | C14 | H2 | H19 | 122.1° | 123.5° |
| C13 | C14 | C15 | H3 | 110.0° | 92.8° |
| C13 | C14 | C15 | H20 | 129.5° | 145.0° |
| C17 | C16 | C23 | C22 | 0.7° | 0.3° |
| C17 | C16 | C23 | N04 | 179.2° | 179.8° |
| C17 | C16 | C23 | N24 | 179.1° | 179.6° |
| C17 | C16 | N04 | C05 | 53.2° | 29.5° |
| C17 | C16 | N04 | C03 | 145.9° | 150.5° |
| C16 | C17 | C18 | H5 | 178.8° | 180.0° |
| C15 | C11 | C12 | C13 | 0.5° | 0.3° |
| C15 | C11 | C12 | N10 | 179.4° | 179.7° |
| C15 | C11 | C12 | C05 | 179.6° | 179.8° |
| C15 | C11 | N10 | C07 | 179.4° | 179.8° |
| C11 | C15 | C14 | H2 | 109.6° | 92.1° |
| C11 | C15 | H3 | H20 | 120.6° | 122.0° |
| C11 | C15 | C14 | H19 | 129.0° | 144.3° |
| C13 | C12 | C11 | C05 | 179.8° | 179.9° |
| C13 | C12 | C11 | N10 | 179.9° | 180.0° |
| C13 | C12 | C05 | N04 | 0.0° | 0.1° |
| C13 | C12 | C05 | N06 | 179.7° | 179.9° |
| C12 | C13 | H1 | H18 | 120.9° | 122.1° |
| C12 | C13 | C14 | H2 | 109.3° | 92.0° |
| C12 | C13 | C14 | H19 | 129.2° | 144.3° |
| C22 | C23 | C16 | N24 | 179.9° | 179.8° |
| C22 | C23 | C16 | N04 | 180.0° | 179.5° |
| C22 | C23 | N24 | C02 | 162.6° | 165.9° |
| C22 | C23 | N24 | H17 | 17.5° | 14.1° |
| C12 | C11 | N10 | C07 | 0.1° | 0.1° |
| C11 | C12 | C05 | N04 | 179.8° | 180.0° |
| C11 | C12 | C05 | N06 | 0.5° | 0.0° |
| C11 | C12 | C13 | H1 | 126.4° | 136.0° |
| C12 | C11 | C15 | H3 | 113.9° | 101.6° |
| C11 | C12 | C13 | H18 | 112.9° | 102.0° |
| C12 | C11 | C15 | H20 | 125.7° | 136.2° |
| N10 | C11 | C12 | C05 | 0.2° | 0.1° |
| C11 | N10 | C07 | N06 | 0.3° | 0.1° |
| C11 | N10 | C07 | N08 | 179.5° | 180.0° |
| N10 | C11 | C15 | H3 | 66.7° | 78.1° |
| N10 | C11 | C15 | H20 | 53.7° | 44.0° |
| C12 | C05 | N04 | C16 | 29.2° | 172.6° |
| C12 | C05 | N04 | N06 | 179.6° | 180.0° |
| C12 | C05 | N04 | C03 | 131.5° | 7.4° |
| C12 | C05 | N06 | C07 | 0.8° | 0.0° |
| C05 | C12 | C13 | H1 | 53.8° | 44.0° |
| C05 | C12 | C13 | H18 | 66.9° | 78.1° |
| C23 | C16 | N04 | C05 | 127.6° | 150.8° |
| C23 | C16 | N04 | C03 | 33.3° | 29.3° |
| C16 | C23 | N24 | C02 | 17.3° | 14.2° |
| C23 | C16 | C17 | H4 | 179.0° | 179.9° |
| C16 | C23 | C22 | H9 | 179.2° | 179.8° |
| C16 | C23 | N24 | H17 | 162.7° | 165.8° |
| N04 | C16 | C23 | N24 | 0.1° | 0.7° |
| C16 | N04 | C05 | C03 | 160.7° | 180.0° |
| C16 | N04 | C05 | N06 | 151.1° | 7.4° |
| C16 | N04 | C03 | C02 | 48.2° | 42.1° |
| N04 | C16 | C17 | H4 | 0.1° | 0.3° |
| C16 | N04 | C03 | H10 | 72.5° | 77.9° |
| C16 | N04 | C03 | H11 | 168.9° | 161.9° |
| N10 | C07 | N06 | C05 | 0.7° | 0.1° |
| N10 | C07 | N06 | N08 | 179.2° | 179.9° |
| N10 | C07 | N08 | C09 | 172.5° | 180.0° |
| N10 | C07 | N08 | H16 | 51.8° | 0.0° |
| C23 | N24 | C02 | H17 | 180.0° | 180.0° |
| C23 | N24 | C02 | C03 | 1.7° | 2.4° |
| C23 | N24 | C02 | O01 | 179.0° | 177.6° |
| N24 | C23 | C22 | H9 | 0.9° | 0.4° |
| N04 | C05 | N06 | C07 | 179.6° | 180.0° |
| C05 | N04 | C03 | C02 | 114.3° | 138.0° |
| C05 | N04 | C03 | H10 | 124.9° | 102.1° |
| C05 | N04 | C03 | H11 | 6.4° | 18.1° |
| N06 | C05 | N04 | C03 | 48.1° | 172.6° |
| C05 | N06 | C07 | N08 | 179.9° | 180.0° |
| N04 | C03 | C02 | N24 | 30.4° | 29.1° |
| N04 | C03 | C02 | H10 | 120.7° | 119.9° |
| N04 | C03 | C02 | H11 | 120.7° | 119.9° |
| N04 | C03 | C02 | O01 | 148.9° | 150.9° |
| N04 | C03 | H10 | H11 | 117.8° | 120.3° |
| N06 | C07 | N08 | C09 | 8.3° | 0.0° |
| N06 | C07 | N08 | H16 | 129.1° | 180.0° |
| C07 | N08 | C09 | H16 | 120.8° | 180.0° |
| C07 | N08 | C09 | H12 | 180.0° | 180.0° |
| C07 | N08 | C09 | H13 | 60.0° | 60.0° |
| C07 | N08 | C09 | H14 | 60.0° | 60.0° |
| N24 | C02 | C03 | O01 | 179.3° | 180.0° |
| N24 | C02 | C03 | H10 | 90.3° | 90.8° |
| N24 | C02 | C03 | H11 | 151.1° | 149.1° |
| N08 | C09 | H12 | H13 | 120.0° | 120.0° |
| N08 | C09 | H12 | H14 | 120.0° | 120.0° |
| N08 | C09 | H13 | H14 | 120.0° | 120.0° |
| C02 | C03 | H10 | H11 | 117.8° | 120.2° |
| C03 | C02 | N24 | H17 | 178.3° | 177.6° |
| O01 | C02 | C03 | H10 | 90.4° | 89.2° |
| O01 | C02 | C03 | H11 | 28.2° | 31.0° |
| O01 | C02 | N24 | H17 | 1.0° | 2.4° |
| H1 | C13 | C14 | H2 | 10.3° | 26.9° |
| H1 | C13 | C14 | H19 | 111.1° | 96.7° |
| H2 | C14 | C15 | H3 | 130.7° | 148.7° |
| H2 | C14 | C13 | H18 | 131.0° | 149.0° |
| H2 | C14 | C15 | H20 | 10.2° | 26.5° |
| H3 | C15 | C14 | H19 | 9.3° | 25.1° |
| H4 | C17 | C18 | H5 | 1.2° | 0.1° |
| H6 | C21 | H7 | H8 | 120.0° | 120.1° |
| H12 | C09 | H13 | H14 | 120.0° | 120.0° |
| H12 | C09 | N08 | H16 | 59.2° | 0.0° |
| H13 | C09 | N08 | H16 | 179.2° | 120.0° |
| H14 | C09 | N08 | H16 | 60.8° | 120.0° |
| H18 | C13 | C14 | H19 | 9.6° | 25.4° |
| H19 | C14 | C15 | H20 | 111.2° | 97.1° |
