VG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.34Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | N4 | sing | 1.35Å | 1.35Å | |
| C4 | C4A | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C8A | sing | 1.35Å | 1.35Å | Aromatic |
| C8A | N8 | sing | 1.35Å | 1.35Å | Aromatic |
| C8A | C4A | doub | 1.40Å | 1.40Å | Aromatic |
| N8 | C7 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C5 | C5A | sing | 1.51Å | 1.51Å | |
| C5 | C4A | sing | 1.42Å | 1.42Å | Aromatic |
| C9 | N10 | sing | 1.45Å | 1.45Å | |
| N10 | C11 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | O2 | sing | 1.37Å | 1.37Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| O2 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.50Å | 1.50Å | |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | O5 | sing | 1.37Å | 1.37Å | |
| O5 | C51 | sing | 1.43Å | 1.43Å | |
| C51 | C52 | sing | 1.51Å | 1.51Å | |
| N2 | H21N | sing | 1.00Å | 1.00Å | |
| N2 | H22N | sing | 1.00Å | 1.00Å | |
| N4 | H41N | sing | 1.00Å | 1.00Å | |
| N4 | H42N | sing | 1.00Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H91C | sing | 1.10Å | 1.10Å | |
| C9 | H92C | sing | 1.10Å | 1.10Å | |
| C5A | H5A1 | sing | 1.10Å | 1.10Å | |
| C5A | H5A2 | sing | 1.10Å | 1.10Å | |
| C5A | H5A3 | sing | 1.10Å | 1.10Å | |
| N10 | H10 | sing | 1.00Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C22 | H223 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.10Å | 1.10Å | |
| C51 | H512 | sing | 1.10Å | 1.10Å | |
| C52 | H521 | sing | 1.10Å | 1.10Å | |
| C52 | H522 | sing | 1.10Å | 1.10Å | |
| C52 | H523 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C2 | N3 | 119.8° | 119.8° |
| N2 | C2 | N1 | 118.9° | 118.9° |
| C2 | N2 | H21N | 109.5° | 109.5° |
| C2 | N2 | H22N | 109.5° | 109.5° |
| N3 | C2 | N1 | 121.3° | 121.3° |
| C2 | N3 | C4 | 121.1° | 121.1° |
| C2 | N1 | C8A | 120.2° | 120.2° |
| N3 | C4 | N4 | 113.9° | 113.9° |
| N3 | C4 | C4A | 119.8° | 119.8° |
| N4 | C4 | C4A | 126.0° | 126.0° |
| C4 | N4 | H41N | 109.5° | 109.5° |
| C4 | N4 | H42N | 109.5° | 109.5° |
| C4 | C4A | C8A | 116.7° | 116.7° |
| C4 | C4A | C5 | 125.3° | 125.3° |
| N1 | C8A | N8 | 117.4° | 117.4° |
| N1 | C8A | C4A | 120.8° | 120.8° |
| N8 | C8A | C4A | 121.7° | 121.7° |
| C8A | N8 | C7 | 120.7° | 120.7° |
| C8A | C4A | C5 | 118.1° | 118.1° |
| N8 | C7 | C6 | 121.2° | 121.2° |
| N8 | C7 | H7 | 119.4° | 119.4° |
| C7 | C6 | C5 | 120.2° | 120.2° |
| C7 | C6 | C9 | 120.4° | 120.4° |
| C6 | C7 | H7 | 119.4° | 119.4° |
| C5 | C6 | C9 | 119.3° | 119.3° |
| C6 | C5 | C5A | 117.3° | 117.3° |
| C6 | C5 | C4A | 118.0° | 118.0° |
| C6 | C9 | N10 | 112.0° | 112.0° |
| C6 | C9 | H91C | 108.7° | 108.7° |
| C6 | C9 | H92C | 108.1° | 108.1° |
| C5A | C5 | C4A | 123.9° | 123.9° |
| C5 | C5A | H5A1 | 109.5° | 109.5° |
| C5 | C5A | H5A2 | 109.5° | 109.5° |
| C5 | C5A | H5A3 | 109.5° | 109.5° |
| C9 | N10 | C11 | 125.6° | 125.6° |
| N10 | C9 | H91C | 108.7° | 108.7° |
| N10 | C9 | H92C | 108.1° | 108.1° |
| C9 | N10 | H10 | 104.4° | 104.4° |
| N10 | C11 | C12 | 117.5° | 117.5° |
| N10 | C11 | C16 | 123.1° | 123.1° |
| C11 | N10 | H10 | 104.4° | 104.4° |
| C12 | C11 | C16 | 119.4° | 119.4° |
| C11 | C12 | O2 | 119.4° | 119.4° |
| C11 | C12 | C13 | 121.1° | 121.1° |
| C11 | C16 | C15 | 119.9° | 119.9° |
| C11 | C16 | H16 | 120.1° | 120.1° |
| O2 | C12 | C13 | 119.4° | 119.4° |
| C12 | O2 | C21 | 120.4° | 120.4° |
| C12 | C13 | C14 | 119.6° | 119.6° |
| C12 | C13 | H13 | 120.2° | 120.2° |
| O2 | C21 | C22 | 112.2° | 112.2° |
| O2 | C21 | H211 | 108.6° | 108.6° |
| O2 | C21 | H212 | 108.0° | 107.9° |
| C22 | C21 | H211 | 108.6° | 108.6° |
| C22 | C21 | H212 | 108.0° | 108.0° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C13 | C14 | C15 | 119.9° | 119.9° |
| C14 | C13 | H13 | 120.2° | 120.2° |
| C13 | C14 | H14 | 120.1° | 120.1° |
| C14 | C15 | C16 | 120.2° | 120.2° |
| C14 | C15 | O5 | 119.0° | 119.0° |
| C15 | C14 | H14 | 120.1° | 120.1° |
| C16 | C15 | O5 | 120.8° | 120.8° |
| C15 | C16 | H16 | 120.1° | 120.1° |
| C15 | O5 | C51 | 122.4° | 122.4° |
| O5 | C51 | C52 | 109.3° | 109.3° |
| O5 | C51 | H511 | 109.5° | 109.5° |
| O5 | C51 | H512 | 109.6° | 109.6° |
| C52 | C51 | H511 | 109.5° | 109.6° |
| C52 | C51 | H512 | 109.6° | 109.6° |
| C51 | C52 | H521 | 109.5° | 109.5° |
| C51 | C52 | H522 | 109.5° | 109.5° |
| C51 | C52 | H523 | 109.4° | 109.4° |
| H21N | N2 | H22N | 109.5° | 109.5° |
| H41N | N4 | H42N | 109.5° | 109.4° |
| H91C | C9 | H92C | 111.4° | 111.4° |
| H5A1 | C5A | H5A2 | 109.5° | 109.5° |
| H5A1 | C5A | H5A3 | 109.4° | 109.4° |
| H5A2 | C5A | H5A3 | 109.5° | 109.5° |
| H211 | C21 | H212 | 111.6° | 111.7° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H511 | C51 | H512 | 109.3° | 109.3° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H521 | C52 | H523 | 109.4° | 109.4° |
| H522 | C52 | H523 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N3 | N1 | 179.3° | 179.3° |
| N2 | C2 | N3 | C4 | 177.9° | 177.9° |
| N2 | C2 | N1 | C8A | 178.9° | 178.9° |
| C2 | N2 | H21N | H22N | 120.0° | 120.0° |
| C2 | N3 | C4 | N4 | 176.7° | 176.7° |
| C2 | N3 | C4 | C4A | 2.3° | 2.3° |
| N3 | C2 | N1 | C8A | 1.8° | 1.8° |
| N3 | C2 | N2 | H21N | 172.4° | 172.4° |
| N3 | C2 | N2 | H22N | 67.5° | 67.5° |
| N1 | C2 | N3 | C4 | 2.8° | 2.8° |
| C2 | N1 | C8A | N8 | 178.9° | 178.9° |
| C2 | N1 | C8A | C4A | 0.3° | 0.3° |
| N1 | C2 | N2 | H21N | 8.2° | 8.2° |
| N1 | C2 | N2 | H22N | 111.8° | 111.8° |
| N3 | C4 | N4 | C4A | 174.1° | 174.1° |
| N3 | C4 | C4A | C8A | 0.8° | 0.8° |
| N3 | C4 | C4A | C5 | 179.8° | 179.8° |
| N3 | C4 | N4 | H41N | 0.3° | 0.4° |
| N3 | C4 | N4 | H42N | 120.4° | 120.4° |
| N4 | C4 | C4A | C8A | 174.5° | 174.5° |
| N4 | C4 | C4A | C5 | 6.4° | 6.4° |
| C4 | N4 | H41N | H42N | 120.0° | 120.0° |
| C4 | C4A | C8A | N1 | 0.2° | 0.2° |
| C4 | C4A | C8A | N8 | 178.3° | 178.3° |
| C4 | C4A | C8A | C5 | 179.1° | 179.1° |
| C4 | C4A | C5 | C6 | 178.5° | 178.5° |
| C4 | C4A | C5 | C5A | 12.1° | 12.1° |
| C4A | C4 | N4 | H41N | 173.7° | 173.7° |
| C4A | C4 | N4 | H42N | 53.7° | 53.7° |
| N1 | C8A | N8 | C4A | 178.6° | 178.6° |
| N1 | C8A | N8 | C7 | 179.6° | 179.6° |
| N1 | C8A | C4A | C5 | 178.9° | 178.9° |
| C8A | N8 | C7 | C6 | 1.1° | 1.1° |
| N8 | C8A | C4A | C5 | 2.5° | 2.5° |
| C8A | N8 | C7 | H7 | 178.9° | 178.9° |
| C4A | C8A | N8 | C7 | 1.9° | 1.9° |
| C8A | C4A | C5 | C6 | 2.4° | 2.4° |
| C8A | C4A | C5 | C5A | 167.0° | 167.0° |
| N8 | C7 | C6 | H7 | 180.0° | 180.0° |
| N8 | C7 | C6 | C5 | 1.0° | 1.0° |
| N8 | C7 | C6 | C9 | 179.7° | 179.7° |
| C7 | C6 | C5 | C9 | 179.3° | 179.3° |
| C7 | C6 | C5 | C5A | 168.4° | 168.4° |
| C7 | C6 | C5 | C4A | 1.7° | 1.7° |
| C7 | C6 | C9 | N10 | 9.9° | 9.9° |
| C7 | C6 | C9 | H91C | 110.1° | 110.1° |
| C7 | C6 | C9 | H92C | 128.8° | 128.8° |
| C6 | C5 | C5A | C4A | 169.5° | 169.5° |
| C5 | C6 | C9 | N10 | 170.9° | 170.9° |
| C5 | C6 | C7 | H7 | 179.0° | 179.0° |
| C5 | C6 | C9 | H91C | 69.1° | 69.1° |
| C5 | C6 | C9 | H92C | 51.9° | 51.9° |
| C6 | C5 | C5A | H5A1 | 178.7° | 178.7° |
| C6 | C5 | C5A | H5A2 | 58.7° | 58.7° |
| C6 | C5 | C5A | H5A3 | 61.3° | 61.3° |
| C9 | C6 | C5 | C5A | 10.8° | 10.8° |
| C9 | C6 | C5 | C4A | 179.0° | 179.0° |
| C6 | C9 | N10 | H91C | 120.0° | 120.0° |
| C6 | C9 | N10 | H92C | 118.9° | 119.0° |
| C6 | C9 | N10 | C11 | 92.6° | 92.6° |
| C9 | C6 | C7 | H7 | 0.3° | 0.3° |
| C6 | C9 | H91C | H92C | 119.0° | 119.0° |
| C6 | C9 | N10 | H10 | 147.4° | 147.4° |
| C5 | C5A | H5A1 | H5A2 | 120.0° | 120.0° |
| C5 | C5A | H5A1 | H5A3 | 120.0° | 120.0° |
| C5 | C5A | H5A2 | H5A3 | 120.0° | 120.0° |
| C4A | C5 | C5A | H5A1 | 11.8° | 11.8° |
| C4A | C5 | C5A | H5A2 | 131.8° | 131.8° |
| C4A | C5 | C5A | H5A3 | 108.2° | 108.2° |
| C9 | N10 | C11 | H10 | 120.0° | 120.0° |
| C9 | N10 | C11 | C12 | 177.4° | 177.4° |
| C9 | N10 | C11 | C16 | 4.2° | 4.2° |
| N10 | C9 | H91C | H92C | 118.9° | 119.0° |
| N10 | C11 | C12 | C16 | 178.5° | 178.5° |
| N10 | C11 | C12 | O2 | 1.1° | 1.1° |
| N10 | C11 | C12 | C13 | 179.0° | 179.0° |
| N10 | C11 | C16 | C15 | 179.4° | 179.4° |
| C11 | N10 | C9 | H91C | 27.4° | 27.4° |
| C11 | N10 | C9 | H92C | 148.4° | 148.4° |
| N10 | C11 | C16 | H16 | 0.6° | 0.6° |
| C11 | C12 | O2 | C13 | 179.9° | 179.9° |
| C11 | C12 | O2 | C21 | 71.9° | 71.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C16 | C15 | 1.0° | 1.0° |
| C12 | C11 | N10 | H10 | 57.4° | 57.4° |
| C12 | C11 | C16 | H16 | 178.9° | 178.9° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C16 | C11 | C12 | O2 | 179.5° | 179.5° |
| C16 | C11 | C12 | C13 | 0.5° | 0.5° |
| C11 | C16 | C15 | C14 | 0.9° | 0.9° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | O5 | 179.2° | 179.2° |
| C16 | C11 | N10 | H10 | 124.2° | 124.2° |
| C12 | O2 | C21 | C22 | 141.4° | 141.4° |
| O2 | C12 | C13 | C14 | 179.8° | 179.8° |
| O2 | C12 | C13 | H13 | 0.2° | 0.2° |
| C12 | O2 | C21 | H211 | 98.6° | 98.6° |
| C12 | O2 | C21 | H212 | 22.5° | 22.5° |
| C13 | C12 | O2 | C21 | 108.0° | 108.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C12 | C13 | C14 | H14 | 179.7° | 179.7° |
| O2 | C21 | C22 | H211 | 120.0° | 120.0° |
| O2 | C21 | C22 | H212 | 118.9° | 118.8° |
| O2 | C21 | H211 | H212 | 118.9° | 118.9° |
| O2 | C21 | C22 | H221 | 7.5° | 7.5° |
| O2 | C21 | C22 | H222 | 127.5° | 127.5° |
| O2 | C21 | C22 | H223 | 112.5° | 112.5° |
| C22 | C21 | H211 | H212 | 118.9° | 118.9° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.2° |
| C13 | C14 | C15 | O5 | 179.9° | 179.9° |
| C14 | C15 | C16 | O5 | 179.9° | 179.9° |
| C14 | C15 | O5 | C51 | 138.1° | 138.1° |
| C14 | C15 | C16 | H16 | 179.1° | 179.1° |
| C15 | C14 | C13 | H13 | 179.7° | 179.7° |
| C16 | C15 | O5 | C51 | 41.8° | 41.8° |
| C16 | C15 | C14 | H14 | 179.8° | 179.8° |
| C15 | O5 | C51 | C52 | 101.4° | 101.4° |
| O5 | C15 | C16 | H16 | 0.8° | 0.8° |
| O5 | C15 | C14 | H14 | 0.1° | 0.1° |
| C15 | O5 | C51 | H511 | 18.6° | 18.6° |
| C15 | O5 | C51 | H512 | 138.5° | 138.5° |
| O5 | C51 | C52 | H511 | 120.0° | 120.0° |
| O5 | C51 | C52 | H512 | 120.1° | 120.1° |
| O5 | C51 | H511 | H512 | 120.1° | 120.1° |
| O5 | C51 | C52 | H521 | 22.9° | 22.9° |
| O5 | C51 | C52 | H522 | 97.1° | 97.1° |
| O5 | C51 | C52 | H523 | 142.8° | 142.8° |
| C52 | C51 | H511 | H512 | 120.0° | 120.1° |
| C51 | C52 | H521 | H522 | 120.0° | 120.0° |
| C51 | C52 | H521 | H523 | 120.0° | 120.0° |
| C51 | C52 | H522 | H523 | 120.0° | 120.0° |
| H91C | C9 | N10 | H10 | 92.6° | 92.6° |
| H92C | C9 | N10 | H10 | 28.5° | 28.4° |
| H5A1 | C5A | H5A2 | H5A3 | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.3° |
| H211 | C21 | C22 | H221 | 112.4° | 112.5° |
| H211 | C21 | C22 | H222 | 7.6° | 7.6° |
| H211 | C21 | C22 | H223 | 127.5° | 127.5° |
| H212 | C21 | C22 | H221 | 126.4° | 126.3° |
| H212 | C21 | C22 | H222 | 113.6° | 113.7° |
| H212 | C21 | C22 | H223 | 6.3° | 6.3° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H511 | C51 | C52 | H521 | 142.9° | 142.9° |
| H511 | C51 | C52 | H522 | 22.9° | 22.9° |
| H511 | C51 | C52 | H523 | 97.2° | 97.2° |
| H512 | C51 | C52 | H521 | 97.2° | 97.2° |
| H512 | C51 | C52 | H522 | 142.8° | 142.8° |
| H512 | C51 | C52 | H523 | 22.7° | 22.7° |
| H521 | C52 | H522 | H523 | 120.0° | 120.0° |
