VNP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2G | PG | sing | 1.61Å | 1.61Å | |
| O2G | H2G | sing | 0.97Å | 0.95Å | |
| PG | O3G | doub | 1.48Å | 1.61Å | |
| PG | O1G | sing | 1.61Å | 1.48Å | |
| PG | N3B | sing | 1.68Å | 1.62Å | |
| O1G | H1G | sing | 0.97Å | 0.95Å | |
| N3B | PB | sing | 1.68Å | 1.62Å | |
| N3B | H3B | sing | 1.01Å | 1.00Å | |
| PB | O2B | doub | 1.48Å | 1.48Å | |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| PB | O1 | sing | 1.61Å | 1.61Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | doub | 1.34Å | 1.53Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.82Å | Aromatic |
| C10 | CM4 | sing | 1.51Å | 1.53Å | |
| C10 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| CM4 | HM41 | sing | 1.09Å | 1.10Å | |
| CM4 | HM42 | sing | 1.09Å | 1.10Å | |
| CM4 | HM43 | sing | 1.09Å | 1.10Å | |
| S1 | C9 | sing | 1.71Å | 1.75Å | Aromatic |
| C9 | N5 | doub | 1.29Å | 1.33Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N5 | C7A | sing | 1.46Å | 1.47Å | |
| C7A | C5A | sing | 1.51Å | 1.53Å | |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| C5A | C6A | doub | 1.38Å | 1.39Å | Aromatic |
| C5A | C4A | sing | 1.40Å | 1.39Å | Aromatic |
| C6A | N1A | sing | 1.33Å | 1.32Å | Aromatic |
| C6A | H6A | sing | 1.08Å | 1.08Å | |
| N1A | C2A | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | CM2 | sing | 1.51Å | 1.53Å | |
| C2A | N3A | sing | 1.32Å | 1.34Å | Aromatic |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| N3A | C4A | doub | 1.33Å | 1.34Å | Aromatic |
| C4A | N4A | sing | 1.39Å | 1.33Å | |
| N4A | H4A1 | sing | 0.97Å | 1.00Å | |
| N4A | H4A2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PG | O2G | H2G | 109.5° | 114.0° |
| O2G | PG | O3G | 105.8° | 109.5° |
| O2G | PG | O1G | 111.8° | 109.4° |
| O2G | PG | N3B | 107.8° | 109.5° |
| O3G | PG | O1G | 110.8° | 109.4° |
| O3G | PG | N3B | 108.4° | 109.5° |
| O1G | PG | N3B | 112.0° | 109.5° |
| PG | O1G | H1G | 109.5° | 114.0° |
| PG | N3B | PB | 114.2° | 111.0° |
| PG | N3B | H3B | 107.9° | 111.0° |
| PB | N3B | H3B | 107.9° | 111.0° |
| N3B | PB | O2B | 108.5° | 109.4° |
| N3B | PB | O1B | 108.0° | 109.5° |
| N3B | PB | O1 | 104.2° | 109.5° |
| O2B | PB | O1B | 117.7° | 109.4° |
| O2B | PB | O1 | 109.5° | 109.5° |
| O1B | PB | O1 | 108.2° | 109.5° |
| PB | O1B | H1B | 109.5° | 114.0° |
| PB | O1 | C7 | 124.1° | 123.0° |
| O1 | C7 | C12 | 106.3° | 109.5° |
| O1 | C7 | H71 | 110.5° | 109.5° |
| O1 | C7 | H72 | 111.2° | 109.5° |
| C12 | C7 | H71 | 110.5° | 109.5° |
| C12 | C7 | H72 | 111.3° | 109.4° |
| C7 | C12 | C11 | 117.0° | 109.5° |
| C7 | C12 | H121 | 107.0° | 109.5° |
| C7 | C12 | H122 | 105.3° | 109.4° |
| H71 | C7 | H72 | 107.0° | 109.5° |
| C11 | C12 | H121 | 107.0° | 109.5° |
| C11 | C12 | H122 | 105.3° | 109.5° |
| C12 | C11 | C10 | 116.4° | 126.0° |
| C12 | C11 | S1 | 118.1° | 126.0° |
| H121 | C12 | H122 | 115.6° | 109.5° |
| C10 | C11 | S1 | 100.2° | 107.9° |
| C11 | C10 | CM4 | 122.7° | 122.8° |
| C11 | C10 | N5 | 114.3° | 114.5° |
| C11 | S1 | C9 | 92.7° | 90.3° |
| CM4 | C10 | N5 | 122.9° | 122.8° |
| C10 | CM4 | HM41 | 109.5° | 109.5° |
| C10 | CM4 | HM42 | 109.5° | 109.5° |
| C10 | CM4 | HM43 | 109.5° | 109.5° |
| C10 | N5 | C9 | 117.0° | 117.1° |
| C10 | N5 | C7A | 120.5° | 121.5° |
| HM41 | CM4 | HM42 | 109.4° | 109.5° |
| HM41 | CM4 | HM43 | 109.5° | 109.5° |
| HM42 | CM4 | HM43 | 109.5° | 109.4° |
| S1 | C9 | N5 | 109.4° | 110.2° |
| S1 | C9 | H9 | 125.3° | 124.9° |
| N5 | C9 | H9 | 125.3° | 124.9° |
| C9 | N5 | C7A | 122.4° | 121.4° |
| N5 | C7A | C5A | 113.8° | 109.5° |
| N5 | C7A | H7A1 | 108.0° | 109.5° |
| N5 | C7A | H7A2 | 107.1° | 109.5° |
| C5A | C7A | H7A1 | 108.1° | 109.5° |
| C5A | C7A | H7A2 | 107.1° | 109.4° |
| C7A | C5A | C6A | 116.3° | 120.9° |
| C7A | C5A | C4A | 126.7° | 120.8° |
| H7A1 | C7A | H7A2 | 112.9° | 109.5° |
| C6A | C5A | C4A | 116.9° | 118.4° |
| C5A | C6A | N1A | 121.1° | 119.2° |
| C5A | C6A | H6A | 119.4° | 120.4° |
| C5A | C4A | N3A | 120.0° | 118.9° |
| C5A | C4A | N4A | 121.0° | 120.6° |
| N1A | C6A | H6A | 119.5° | 120.4° |
| C6A | N1A | C2A | 120.9° | 121.0° |
| N1A | C2A | CM2 | 119.6° | 119.0° |
| N1A | C2A | N3A | 120.2° | 121.9° |
| CM2 | C2A | N3A | 120.2° | 119.1° |
| C2A | CM2 | HM21 | 109.5° | 109.5° |
| C2A | CM2 | HM22 | 109.4° | 109.4° |
| C2A | CM2 | HM23 | 109.5° | 109.5° |
| C2A | N3A | C4A | 120.9° | 120.7° |
| HM21 | CM2 | HM22 | 109.5° | 109.5° |
| HM21 | CM2 | HM23 | 109.4° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.5° |
| N3A | C4A | N4A | 119.0° | 120.5° |
| C4A | N4A | H4A1 | 109.5° | 120.0° |
| C4A | N4A | H4A2 | 109.5° | 120.0° |
| H4A1 | N4A | H4A2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2G | PG | O3G | O1G | 121.4° | 119.9° |
| O2G | PG | O3G | N3B | 115.4° | 120.0° |
| O2G | PG | O1G | N3B | 121.1° | 120.0° |
| O2G | PG | O1G | H1G | 12.1° | 60.0° |
| O2G | PG | N3B | PB | 81.0° | 60.0° |
| O2G | PG | N3B | H3B | 39.0° | 176.1° |
| H2G | O2G | PG | O3G | 64.5° | 180.0° |
| H2G | O2G | PG | O1G | 174.8° | 60.1° |
| H2G | O2G | PG | N3B | 51.3° | 59.9° |
| O3G | PG | O1G | N3B | 121.1° | 120.0° |
| O3G | PG | O1G | H1G | 105.6° | 60.0° |
| O3G | PG | N3B | PB | 33.1° | 60.0° |
| O3G | PG | N3B | H3B | 153.1° | 63.9° |
| O1G | PG | N3B | PB | 155.6° | 180.0° |
| O1G | PG | N3B | H3B | 84.4° | 56.1° |
| N3B | PG | O1G | H1G | 133.3° | 180.0° |
| PG | N3B | PB | H3B | 120.0° | 123.9° |
| PG | N3B | PB | O2B | 170.1° | 60.0° |
| PG | N3B | PB | O1B | 41.6° | 60.0° |
| PG | N3B | PB | O1 | 73.3° | 180.0° |
| N3B | PB | O2B | O1B | 122.8° | 120.0° |
| N3B | PB | O2B | O1 | 113.1° | 120.0° |
| N3B | PB | O1B | O1 | 112.2° | 120.0° |
| N3B | PB | O1B | H1B | 172.7° | 60.0° |
| N3B | PB | O1 | C7 | 60.9° | 70.0° |
| H3B | N3B | PB | O2B | 50.1° | 63.9° |
| H3B | N3B | PB | O1B | 78.4° | 176.1° |
| H3B | N3B | PB | O1 | 166.7° | 56.1° |
| O2B | PB | O1B | O1 | 124.7° | 120.0° |
| O2B | PB | O1B | H1B | 49.7° | 180.0° |
| O2B | PB | O1 | C7 | 54.9° | 50.0° |
| O1B | PB | O1 | C7 | 175.7° | 170.0° |
| O1 | PB | O1B | H1B | 75.0° | 60.0° |
| PB | O1 | C7 | C12 | 151.7° | 180.0° |
| PB | O1 | C7 | H71 | 31.7° | 60.0° |
| PB | O1 | C7 | H72 | 87.0° | 60.0° |
| O1 | C7 | C12 | H71 | 120.0° | 120.1° |
| O1 | C7 | C12 | H72 | 121.2° | 120.0° |
| O1 | C7 | H71 | H72 | 121.3° | 120.0° |
| O1 | C7 | C12 | C11 | 173.9° | 180.0° |
| O1 | C7 | C12 | H121 | 54.0° | 59.9° |
| O1 | C7 | C12 | H122 | 69.6° | 60.0° |
| C12 | C7 | H71 | H72 | 121.3° | 119.9° |
| C7 | C12 | C11 | H121 | 120.0° | 120.0° |
| C7 | C12 | C11 | H122 | 116.5° | 119.9° |
| C7 | C12 | H121 | H122 | 116.9° | 119.9° |
| C7 | C12 | C11 | C10 | 76.7° | 90.0° |
| C7 | C12 | C11 | S1 | 42.7° | 90.2° |
| H71 | C7 | C12 | C11 | 66.1° | 59.9° |
| H71 | C7 | C12 | H121 | 174.0° | 180.0° |
| H71 | C7 | C12 | H122 | 50.4° | 60.1° |
| H72 | C7 | C12 | C11 | 52.7° | 60.0° |
| H72 | C7 | C12 | H121 | 67.3° | 60.1° |
| H72 | C7 | C12 | H122 | 169.2° | 180.0° |
| C11 | C12 | H121 | H122 | 116.9° | 120.0° |
| C12 | C11 | C10 | S1 | 128.6° | 179.8° |
| C12 | C11 | C10 | CM4 | 30.1° | 0.0° |
| C12 | C11 | C10 | N5 | 148.9° | 180.0° |
| C12 | C11 | S1 | C9 | 149.6° | 180.0° |
| H121 | C12 | C11 | C10 | 43.3° | 30.0° |
| H121 | C12 | C11 | S1 | 162.7° | 149.7° |
| H122 | C12 | C11 | C10 | 166.8° | 150.0° |
| H122 | C12 | C11 | S1 | 73.8° | 29.7° |
| C11 | C10 | CM4 | N5 | 178.9° | 180.0° |
| C11 | C10 | CM4 | HM41 | 131.3° | 90.0° |
| C11 | C10 | CM4 | HM42 | 11.3° | 150.0° |
| C11 | C10 | CM4 | HM43 | 108.7° | 30.0° |
| C10 | C11 | S1 | C9 | 22.1° | 0.3° |
| C11 | C10 | N5 | C9 | 6.3° | 0.1° |
| C11 | C10 | N5 | C7A | 177.6° | 180.0° |
| S1 | C11 | C10 | CM4 | 158.7° | 179.7° |
| S1 | C11 | C10 | N5 | 20.2° | 0.3° |
| C11 | S1 | C9 | N5 | 21.3° | 0.2° |
| C11 | S1 | C9 | H9 | 158.7° | 179.9° |
| C10 | CM4 | HM41 | HM42 | 120.0° | 120.0° |
| C10 | CM4 | HM41 | HM43 | 120.0° | 120.0° |
| C10 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| CM4 | C10 | N5 | C9 | 172.7° | 179.9° |
| CM4 | C10 | N5 | C7A | 3.4° | 0.0° |
| N5 | C10 | CM4 | HM41 | 47.6° | 90.0° |
| N5 | C10 | CM4 | HM42 | 167.6° | 30.0° |
| N5 | C10 | CM4 | HM43 | 72.4° | 150.0° |
| C10 | N5 | C9 | S1 | 12.4° | 0.1° |
| C10 | N5 | C9 | C7A | 176.0° | 179.9° |
| C10 | N5 | C9 | H9 | 167.6° | 179.8° |
| C10 | N5 | C7A | C5A | 156.1° | 85.0° |
| C10 | N5 | C7A | H7A1 | 83.9° | 155.0° |
| C10 | N5 | C7A | H7A2 | 38.0° | 35.0° |
| HM41 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| S1 | C9 | N5 | H9 | 180.0° | 179.7° |
| S1 | C9 | N5 | C7A | 163.6° | 179.8° |
| C9 | N5 | C7A | C5A | 28.1° | 94.9° |
| C9 | N5 | C7A | H7A1 | 91.9° | 25.1° |
| C9 | N5 | C7A | H7A2 | 146.2° | 145.1° |
| H9 | C9 | N5 | C7A | 16.5° | 0.1° |
| N5 | C7A | C5A | H7A1 | 120.0° | 120.1° |
| N5 | C7A | C5A | H7A2 | 118.1° | 120.0° |
| N5 | C7A | H7A1 | H7A2 | 118.2° | 120.0° |
| N5 | C7A | C5A | C6A | 118.9° | 95.0° |
| N5 | C7A | C5A | C4A | 65.7° | 84.7° |
| C5A | C7A | H7A1 | H7A2 | 118.2° | 119.9° |
| C7A | C5A | C6A | C4A | 175.9° | 179.7° |
| C7A | C5A | C6A | N1A | 175.4° | 179.9° |
| C7A | C5A | C6A | H6A | 4.6° | 0.1° |
| C7A | C5A | C4A | N3A | 175.0° | 179.8° |
| C7A | C5A | C4A | N4A | 4.8° | 0.1° |
| H7A1 | C7A | C5A | C6A | 1.1° | 145.0° |
| H7A1 | C7A | C5A | C4A | 174.3° | 35.4° |
| H7A2 | C7A | C5A | C6A | 123.0° | 25.0° |
| H7A2 | C7A | C5A | C4A | 52.4° | 155.3° |
| C5A | C6A | N1A | H6A | 180.0° | 180.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.0° |
| C6A | C5A | C4A | N3A | 0.4° | 0.5° |
| C6A | C5A | C4A | N4A | 179.8° | 179.8° |
| C4A | C5A | C6A | N1A | 0.5° | 0.3° |
| C4A | C5A | C6A | H6A | 179.5° | 179.7° |
| C5A | C4A | N3A | C2A | 0.0° | 0.5° |
| C5A | C4A | N3A | N4A | 179.7° | 179.7° |
| C5A | C4A | N4A | H4A1 | 95.8° | 0.0° |
| C5A | C4A | N4A | H4A2 | 24.2° | 180.0° |
| C6A | N1A | C2A | CM2 | 178.4° | 180.0° |
| C6A | N1A | C2A | N3A | 0.3° | 0.0° |
| H6A | C6A | N1A | C2A | 179.9° | 180.0° |
| N1A | C2A | CM2 | N3A | 178.7° | 180.0° |
| N1A | C2A | CM2 | HM21 | 25.1° | 90.1° |
| N1A | C2A | CM2 | HM22 | 145.2° | 150.0° |
| N1A | C2A | CM2 | HM23 | 94.8° | 30.0° |
| N1A | C2A | N3A | C4A | 0.4° | 0.2° |
| C2A | CM2 | HM21 | HM22 | 120.0° | 119.9° |
| C2A | CM2 | HM21 | HM23 | 120.0° | 120.1° |
| C2A | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| CM2 | C2A | N3A | C4A | 178.3° | 179.8° |
| N3A | C2A | CM2 | HM21 | 153.6° | 89.9° |
| N3A | C2A | CM2 | HM22 | 33.5° | 30.0° |
| N3A | C2A | CM2 | HM23 | 86.5° | 150.0° |
| C2A | N3A | C4A | N4A | 179.8° | 179.8° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| N3A | C4A | N4A | H4A1 | 83.9° | 179.8° |
| N3A | C4A | N4A | H4A2 | 156.0° | 0.3° |
| C4A | N4A | H4A1 | H4A2 | 120.0° | 179.9° |
