VY0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.22Å | 1.23Å | |
| C | N | sing | 1.36Å | 1.34Å | |
| N | C1 | sing | 1.49Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.39Å | 1.35Å | |
| C6 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.42Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C13 | doub | 1.34Å | 1.37Å | Aromatic |
| C6 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | N4 | sing | 1.39Å | 1.36Å | |
| N4 | C14 | sing | 1.41Å | 1.38Å | |
| C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C | sing | 1.46Å | 1.49Å | |
| N5 | C16 | sing | 1.38Å | 1.35Å | Aromatic |
| N6 | N5 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| N5 | H | sing | 0.97Å | 1.00Å | |
| N | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 120.9° | 117.2° |
| O | C | C16 | 120.3° | 117.2° |
| C | N | C1 | 125.6° | 115.6° |
| N | C | C16 | 118.8° | 125.6° |
| C | N | H1 | 117.2° | 122.2° |
| N | C1 | C2 | 112.6° | 107.5° |
| N | C1 | H3 | 108.7° | 109.9° |
| N | C1 | H2 | 108.7° | 109.9° |
| C1 | N | H1 | 117.2° | 122.2° |
| C1 | C2 | C3 | 114.0° | 109.7° |
| C2 | C1 | H3 | 108.7° | 109.9° |
| C2 | C1 | H2 | 108.7° | 109.8° |
| C1 | C2 | H5 | 108.3° | 109.4° |
| C1 | C2 | H4 | 108.3° | 109.4° |
| C2 | C3 | C4 | 115.2° | 109.2° |
| C3 | C2 | H5 | 108.4° | 109.4° |
| C3 | C2 | H4 | 108.3° | 109.5° |
| C2 | C3 | H7 | 108.0° | 109.5° |
| C2 | C3 | H6 | 108.0° | 109.5° |
| C3 | C4 | C5 | 113.7° | 109.3° |
| C4 | C3 | H7 | 108.0° | 109.5° |
| C4 | C3 | H6 | 108.0° | 109.5° |
| C3 | C4 | H9 | 108.4° | 109.5° |
| C3 | C4 | H8 | 108.4° | 109.5° |
| C4 | C5 | N1 | 112.4° | 109.3° |
| C4 | C5 | H10 | 108.7° | 109.5° |
| C4 | C5 | H11 | 108.7° | 109.5° |
| C5 | C4 | H9 | 108.4° | 109.5° |
| C5 | C4 | H8 | 108.4° | 109.5° |
| C5 | N1 | C6 | 123.1° | 117.4° |
| N1 | C5 | H10 | 108.7° | 109.5° |
| N1 | C5 | H11 | 108.7° | 109.5° |
| C5 | N1 | H12 | 106.0° | 121.3° |
| N1 | C6 | N2 | 116.6° | 118.7° |
| N1 | C6 | N3 | 116.6° | 118.5° |
| C6 | N1 | H12 | 106.0° | 121.3° |
| C6 | N2 | C7 | 118.2° | 121.4° |
| N2 | C6 | N3 | 126.8° | 122.7° |
| N2 | C7 | C8 | 120.9° | 118.1° |
| N2 | C7 | N4 | 119.4° | 123.9° |
| C7 | C8 | C9 | 125.7° | 121.6° |
| C7 | C8 | C13 | 115.8° | 118.4° |
| C8 | C7 | N4 | 119.7° | 118.0° |
| C8 | C9 | C10 | 120.8° | 119.4° |
| C9 | C8 | C13 | 118.5° | 120.0° |
| C8 | C9 | H13 | 119.6° | 120.3° |
| C9 | C10 | C11 | 120.6° | 120.8° |
| C9 | C10 | H14 | 119.7° | 119.6° |
| C10 | C9 | H13 | 119.6° | 120.3° |
| C10 | C11 | C12 | 120.7° | 121.1° |
| C11 | C10 | H14 | 119.7° | 119.6° |
| C10 | C11 | H15 | 119.7° | 119.5° |
| C11 | C12 | C13 | 120.4° | 119.6° |
| C12 | C11 | H15 | 119.7° | 119.4° |
| C11 | C12 | H16 | 119.8° | 120.2° |
| C12 | C13 | C8 | 119.1° | 119.1° |
| C12 | C13 | N3 | 118.5° | 122.2° |
| C13 | C12 | H16 | 119.8° | 120.2° |
| C8 | C13 | N3 | 122.4° | 118.6° |
| C13 | N3 | C6 | 115.8° | 120.6° |
| C7 | N4 | C14 | 128.6° | 118.9° |
| C7 | N4 | H17 | 115.7° | 120.6° |
| N4 | C14 | C15 | 127.2° | 130.2° |
| N4 | C14 | N6 | 120.5° | 121.1° |
| C14 | N4 | H17 | 115.7° | 120.6° |
| C14 | C15 | C16 | 104.6° | 108.1° |
| C15 | C14 | N6 | 112.3° | 108.7° |
| C14 | C15 | H18 | 127.7° | 126.0° |
| C15 | C16 | C | 140.5° | 130.4° |
| C15 | C16 | N5 | 106.5° | 106.7° |
| C16 | C15 | H18 | 127.7° | 126.0° |
| C | C16 | N5 | 112.9° | 123.0° |
| C16 | N5 | N6 | 112.9° | 108.1° |
| C16 | N5 | H | 123.5° | 126.0° |
| N5 | N6 | C14 | 103.6° | 108.5° |
| N6 | N5 | H | 123.5° | 125.9° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.8° |
| H5 | C2 | H4 | 109.5° | 109.4° |
| H7 | C3 | H6 | 109.5° | 109.6° |
| H9 | C4 | H8 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C16 | 179.0° | 179.9° |
| O | C | N | C1 | 174.4° | 174.3° |
| O | C | C16 | C15 | 166.6° | 175.0° |
| O | C | C16 | N5 | 9.3° | 3.7° |
| O | C | N | H1 | 5.7° | 5.7° |
| C | N | C1 | H1 | 180.0° | 180.0° |
| C | N | C1 | C2 | 106.5° | 150.2° |
| N | C | C16 | C15 | 12.4° | 4.9° |
| N | C | C16 | N5 | 171.6° | 176.4° |
| C | N | C1 | H3 | 133.0° | 30.6° |
| C | N | C1 | H2 | 13.9° | 90.4° |
| N | C1 | C2 | H3 | 120.4° | 119.6° |
| N | C1 | C2 | H2 | 120.4° | 119.5° |
| N | C1 | C2 | C3 | 173.8° | 139.2° |
| C1 | N | C | C16 | 6.6° | 5.8° |
| N | C1 | H3 | H2 | 118.5° | 121.0° |
| N | C1 | C2 | H5 | 65.6° | 100.7° |
| N | C1 | C2 | H4 | 53.1° | 19.1° |
| C1 | C2 | C3 | H5 | 120.7° | 120.1° |
| C1 | C2 | C3 | H4 | 120.7° | 120.1° |
| C1 | C2 | C3 | C4 | 71.9° | 73.2° |
| C2 | C1 | H3 | H2 | 118.6° | 120.9° |
| C1 | C2 | H5 | H4 | 117.9° | 119.9° |
| C1 | C2 | C3 | H7 | 167.3° | 166.9° |
| C1 | C2 | C3 | H6 | 49.0° | 46.7° |
| C2 | C1 | N | H1 | 73.5° | 29.9° |
| C2 | C3 | C4 | H7 | 120.8° | 119.9° |
| C2 | C3 | C4 | H6 | 120.8° | 119.9° |
| C2 | C3 | C4 | C5 | 70.9° | 73.1° |
| C3 | C2 | C1 | H3 | 53.3° | 101.3° |
| C3 | C2 | C1 | H2 | 65.8° | 19.7° |
| C3 | C2 | H5 | H4 | 118.0° | 119.9° |
| C2 | C3 | H7 | H6 | 117.4° | 120.1° |
| C2 | C3 | C4 | H9 | 168.5° | 166.9° |
| C2 | C3 | C4 | H8 | 49.7° | 46.8° |
| C3 | C4 | C5 | H9 | 120.6° | 120.0° |
| C3 | C4 | C5 | H8 | 120.6° | 119.9° |
| C3 | C4 | C5 | N1 | 175.0° | 176.1° |
| C3 | C4 | C5 | H10 | 64.6° | 56.2° |
| C3 | C4 | C5 | H11 | 54.6° | 63.9° |
| C4 | C3 | C2 | H5 | 48.8° | 46.9° |
| C4 | C3 | C2 | H4 | 167.5° | 166.7° |
| C4 | C3 | H7 | H6 | 117.4° | 120.1° |
| C3 | C4 | H9 | H8 | 118.1° | 120.1° |
| C4 | C5 | N1 | H10 | 120.5° | 120.0° |
| C4 | C5 | N1 | H11 | 120.4° | 120.0° |
| C4 | C5 | N1 | C6 | 101.3° | 150.1° |
| C4 | C5 | H10 | H11 | 118.7° | 120.1° |
| C5 | C4 | C3 | H7 | 49.9° | 166.9° |
| C5 | C4 | C3 | H6 | 168.3° | 46.8° |
| C5 | C4 | H9 | H8 | 118.1° | 120.1° |
| C4 | C5 | N1 | H12 | 136.9° | 29.9° |
| C5 | N1 | C6 | H12 | 121.9° | 180.0° |
| C5 | N1 | C6 | N2 | 17.2° | 8.1° |
| C5 | N1 | C6 | N3 | 164.7° | 170.4° |
| N1 | C5 | H10 | H11 | 118.6° | 120.1° |
| N1 | C5 | C4 | H9 | 54.3° | 56.2° |
| N1 | C5 | C4 | H8 | 64.4° | 64.0° |
| N1 | C6 | N2 | N3 | 177.9° | 178.5° |
| N1 | C6 | N2 | C7 | 176.8° | 177.6° |
| N1 | C6 | N3 | C13 | 175.5° | 176.1° |
| C6 | N1 | C5 | H10 | 19.2° | 89.9° |
| C6 | N1 | C5 | H11 | 138.3° | 30.2° |
| C6 | N2 | C7 | C8 | 1.4° | 1.8° |
| N2 | C6 | N3 | C13 | 2.4° | 2.3° |
| C6 | N2 | C7 | N4 | 176.6° | 178.6° |
| N2 | C6 | N1 | H12 | 139.1° | 171.9° |
| N2 | C7 | C8 | N4 | 178.1° | 179.6° |
| N2 | C7 | C8 | C9 | 176.1° | 176.9° |
| N2 | C7 | C8 | C13 | 2.4° | 3.0° |
| C7 | N2 | C6 | N3 | 1.1° | 0.9° |
| N2 | C7 | N4 | C14 | 5.7° | 6.1° |
| N2 | C7 | N4 | H17 | 174.3° | 173.9° |
| C7 | C8 | C9 | C13 | 178.5° | 179.9° |
| C7 | C8 | C9 | C10 | 178.6° | 179.3° |
| C7 | C8 | C13 | C12 | 179.1° | 178.3° |
| C7 | C8 | C13 | N3 | 1.1° | 1.6° |
| C8 | C7 | N4 | C14 | 176.2° | 174.3° |
| C7 | C8 | C9 | H13 | 1.4° | 1.1° |
| C8 | C7 | N4 | H17 | 3.8° | 5.6° |
| C8 | C9 | C10 | H13 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 0.3° | 0.3° |
| C9 | C8 | C13 | C12 | 0.5° | 1.7° |
| C9 | C8 | C13 | N3 | 177.5° | 178.3° |
| C9 | C8 | C7 | N4 | 5.9° | 2.6° |
| C8 | C9 | C10 | H14 | 179.6° | 180.0° |
| C9 | C10 | C11 | H14 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.4° | 0.4° |
| C10 | C9 | C8 | C13 | 0.1° | 0.7° |
| C9 | C10 | C11 | H15 | 179.6° | 179.7° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.6° |
| C10 | C11 | C12 | H16 | 180.0° | 179.4° |
| C11 | C10 | C9 | H13 | 179.6° | 179.9° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.5° | 1.7° |
| C11 | C12 | C13 | N3 | 177.7° | 178.4° |
| C12 | C11 | C10 | H14 | 179.6° | 179.9° |
| C12 | C13 | C8 | N3 | 178.1° | 179.9° |
| C12 | C13 | N3 | C6 | 176.9° | 179.1° |
| C13 | C12 | C11 | H15 | 180.0° | 179.3° |
| C8 | C13 | N3 | C6 | 1.2° | 1.0° |
| C13 | C8 | C7 | N4 | 175.6° | 177.5° |
| C8 | C13 | C12 | H16 | 179.5° | 178.3° |
| C13 | C8 | C9 | H13 | 179.9° | 178.8° |
| N3 | C13 | C12 | H16 | 2.3° | 1.6° |
| N3 | C6 | N1 | H12 | 42.8° | 9.5° |
| C7 | N4 | C14 | H17 | 180.0° | 180.0° |
| C7 | N4 | C14 | C15 | 6.0° | 10.1° |
| C7 | N4 | C14 | N6 | 172.8° | 169.5° |
| N4 | C14 | C15 | N6 | 178.9° | 179.6° |
| N4 | C14 | C15 | C16 | 178.4° | 179.2° |
| N4 | C14 | N6 | N5 | 178.4° | 179.7° |
| N4 | C14 | C15 | H18 | 1.7° | 0.8° |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C14 | C15 | C16 | C | 175.9° | 177.6° |
| C14 | C15 | C16 | N5 | 0.2° | 1.2° |
| C15 | C14 | N6 | N5 | 0.6° | 0.6° |
| C15 | C14 | N4 | H17 | 174.0° | 170.0° |
| C15 | C16 | C | N5 | 176.0° | 178.7° |
| C15 | C16 | N5 | N6 | 0.1° | 0.9° |
| C16 | C15 | C14 | N6 | 0.5° | 1.2° |
| C15 | C16 | N5 | H | 179.8° | 179.2° |
| C | C16 | N5 | N6 | 177.5° | 178.1° |
| C | C16 | C15 | H18 | 4.1° | 2.4° |
| C | C16 | N5 | H | 2.5° | 1.9° |
| C16 | C | N | H1 | 173.4° | 174.2° |
| C16 | N5 | N6 | H | 180.0° | 180.0° |
| C16 | N5 | N6 | C14 | 0.5° | 0.1° |
| N5 | C16 | C15 | H18 | 179.7° | 178.7° |
| N6 | C14 | C15 | H18 | 179.4° | 178.8° |
| N6 | C14 | N4 | H17 | 7.2° | 10.5° |
| C14 | N6 | N5 | H | 179.5° | 179.9° |
| H14 | C10 | C11 | H15 | 0.4° | 0.0° |
| H14 | C10 | C9 | H13 | 0.4° | 0.4° |
| H10 | C5 | C4 | H9 | 174.8° | 63.8° |
| H10 | C5 | C4 | H8 | 56.0° | 176.1° |
| H10 | C5 | N1 | H12 | 102.7° | 90.0° |
| H11 | C5 | C4 | H9 | 66.1° | 176.1° |
| H11 | C5 | C4 | H8 | 175.2° | 56.0° |
| H11 | C5 | N1 | H12 | 16.4° | 149.9° |
| H3 | C1 | C2 | H5 | 174.0° | 18.8° |
| H3 | C1 | C2 | H4 | 67.4° | 138.6° |
| H3 | C1 | N | H1 | 47.0° | 149.4° |
| H2 | C1 | C2 | H5 | 54.9° | 139.8° |
| H2 | C1 | C2 | H4 | 173.5° | 100.4° |
| H2 | C1 | N | H1 | 166.1° | 89.6° |
| H5 | C2 | C3 | H7 | 72.0° | 73.0° |
| H5 | C2 | C3 | H6 | 169.6° | 166.8° |
| H4 | C2 | C3 | H7 | 46.6° | 46.8° |
| H4 | C2 | C3 | H6 | 71.7° | 73.4° |
| H7 | C3 | C4 | H9 | 70.7° | 47.0° |
| H7 | C3 | C4 | H8 | 170.6° | 73.2° |
| H6 | C3 | C4 | H9 | 47.7° | 73.2° |
| H6 | C3 | C4 | H8 | 71.1° | 166.7° |
| H15 | C11 | C12 | H16 | 0.0° | 0.7° |
