DHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| N1 | C8A | sing | 1.36Å | 1.32Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | NA2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| NA2 | HN21 | sing | 0.97Å | 1.02Å | |
| NA2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.37Å | |
| C4 | C4A | sing | 1.42Å | 1.39Å | Aromatic |
| C4A | N5 | sing | 1.36Å | 1.32Å | |
| C4A | C8A | doub | 1.39Å | 1.39Å | Aromatic |
| N5 | C6 | doub | 1.29Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.45Å | |
| C6 | C9 | sing | 1.51Å | 1.48Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| N8 | C8A | sing | 1.37Å | 1.34Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C9 | N10 | sing | 1.46Å | 1.48Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| N10 | C14 | sing | 1.39Å | 1.37Å | |
| N10 | HN0 | sing | 0.97Å | 1.02Å | |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.43Å | |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | CT | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.51Å | 1.53Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CD | OE1 | doub | 1.21Å | 1.24Å | |
| CD | OE2 | sing | 1.34Å | 1.23Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å | |
| CT | O1 | doub | 1.21Å | 1.22Å | |
| CT | O2 | sing | 1.34Å | 1.23Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 121.5° | 119.9° |
| C2 | N1 | HN1 | 107.9° | 120.1° |
| N1 | C2 | NA2 | 120.7° | 119.2° |
| N1 | C2 | N3 | 120.5° | 121.7° |
| C8A | N1 | HN1 | 107.9° | 120.1° |
| N1 | C8A | C4A | 119.9° | 119.4° |
| N1 | C8A | N8 | 120.9° | 122.0° |
| NA2 | C2 | N3 | 118.4° | 119.1° |
| C2 | NA2 | HN21 | 120.7° | 120.0° |
| C2 | NA2 | HN22 | 108.2° | 119.9° |
| C2 | N3 | C4 | 120.4° | 121.5° |
| HN21 | NA2 | HN22 | 108.2° | 120.1° |
| N3 | C4 | O4 | 119.4° | 120.4° |
| N3 | C4 | C4A | 120.1° | 119.2° |
| O4 | C4 | C4A | 119.8° | 120.4° |
| C4 | C4A | N5 | 122.6° | 121.7° |
| C4 | C4A | C8A | 117.4° | 118.3° |
| N5 | C4A | C8A | 119.6° | 120.0° |
| C4A | N5 | C6 | 120.7° | 121.8° |
| C4A | C8A | N8 | 118.2° | 118.6° |
| N5 | C6 | C7 | 120.3° | 121.2° |
| N5 | C6 | C9 | 121.1° | 119.4° |
| C7 | C6 | C9 | 118.6° | 119.4° |
| C6 | C7 | N8 | 111.3° | 109.0° |
| C6 | C7 | H71 | 111.5° | 109.6° |
| C6 | C7 | H72 | 111.5° | 109.6° |
| C6 | C9 | N10 | 111.9° | 109.5° |
| C6 | C9 | H91 | 111.3° | 109.5° |
| C6 | C9 | H92 | 111.3° | 109.5° |
| N8 | C7 | H71 | 111.5° | 109.5° |
| N8 | C7 | H72 | 111.5° | 109.6° |
| C7 | N8 | C8A | 117.2° | 117.4° |
| C7 | N8 | HN8 | 109.5° | 121.3° |
| H71 | C7 | H72 | 98.9° | 109.6° |
| C8A | N8 | HN8 | 109.4° | 121.3° |
| N10 | C9 | H91 | 111.3° | 109.5° |
| N10 | C9 | H92 | 111.3° | 109.5° |
| C9 | N10 | C14 | 118.2° | 120.0° |
| C9 | N10 | HN0 | 109.1° | 120.0° |
| H91 | C9 | H92 | 99.1° | 109.5° |
| C14 | N10 | HN0 | 109.0° | 119.9° |
| N10 | C14 | C13 | 123.5° | 119.9° |
| N10 | C14 | C15 | 118.4° | 119.9° |
| C12 | C11 | C16 | 120.9° | 119.9° |
| C12 | C11 | C | 118.2° | 120.1° |
| C11 | C12 | C13 | 118.7° | 119.9° |
| C11 | C12 | H12 | 120.8° | 120.1° |
| C16 | C11 | C | 120.7° | 120.1° |
| C11 | C16 | C15 | 119.9° | 119.9° |
| C11 | C16 | H16 | 120.4° | 120.0° |
| C11 | C | O | 122.5° | 120.0° |
| C11 | C | N | 117.1° | 120.0° |
| C13 | C12 | H12 | 120.5° | 120.0° |
| C12 | C13 | C14 | 122.0° | 120.1° |
| C12 | C13 | H13 | 117.8° | 120.0° |
| C14 | C13 | H13 | 120.2° | 119.9° |
| C13 | C14 | C15 | 118.1° | 120.2° |
| C14 | C15 | C16 | 120.4° | 120.1° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C15 | C16 | H16 | 119.8° | 120.1° |
| O | C | N | 120.4° | 120.0° |
| C | N | CA | 120.1° | 120.0° |
| C | N | HN | 115.1° | 120.0° |
| CA | N | HN | 124.8° | 120.0° |
| N | CA | CB | 109.2° | 109.5° |
| N | CA | CT | 111.7° | 109.5° |
| N | CA | HA | 108.9° | 109.5° |
| CB | CA | CT | 111.6° | 109.4° |
| CB | CA | HA | 109.0° | 109.5° |
| CA | CB | CG | 117.6° | 109.5° |
| CA | CB | HB1 | 109.2° | 109.5° |
| CA | CB | HB2 | 109.3° | 109.5° |
| CT | CA | HA | 106.3° | 109.4° |
| CA | CT | O1 | 116.7° | 120.0° |
| CA | CT | O2 | 120.9° | 120.0° |
| CG | CB | HB1 | 109.3° | 109.5° |
| CG | CB | HB2 | 109.3° | 109.4° |
| CB | CG | CD | 114.6° | 109.5° |
| CB | CG | HG1 | 110.3° | 109.5° |
| CB | CG | HG2 | 110.3° | 109.4° |
| HB1 | CB | HB2 | 100.9° | 109.5° |
| CD | CG | HG1 | 110.4° | 109.5° |
| CD | CG | HG2 | 110.4° | 109.5° |
| CG | CD | OE1 | 121.1° | 120.0° |
| CG | CD | OE2 | 118.6° | 120.0° |
| HG1 | CG | HG2 | 99.9° | 109.5° |
| OE1 | CD | OE2 | 120.2° | 120.0° |
| CD | OE2 | HOE2 | 118.6° | 120.0° |
| O1 | CT | O2 | 122.3° | 120.0° |
| CT | O2 | HO2 | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8A | HN1 | 125.3° | 179.5° |
| N1 | C2 | NA2 | N3 | 172.7° | 179.7° |
| N1 | C2 | NA2 | HN21 | 179.9° | 179.7° |
| N1 | C2 | NA2 | HN22 | 54.7° | 0.5° |
| N1 | C2 | N3 | C4 | 2.9° | 0.4° |
| C2 | N1 | C8A | C4A | 3.9° | 0.0° |
| C2 | N1 | C8A | N8 | 164.6° | 179.6° |
| C8A | N1 | C2 | NA2 | 172.7° | 179.8° |
| C8A | N1 | C2 | N3 | 0.2° | 0.4° |
| N1 | C8A | C4A | C4 | 4.4° | 0.5° |
| N1 | C8A | C4A | N5 | 176.9° | 179.6° |
| N1 | C8A | C4A | N8 | 168.8° | 179.6° |
| N1 | C8A | N8 | C7 | 155.5° | 152.1° |
| N1 | C8A | N8 | HN8 | 30.2° | 27.8° |
| HN1 | N1 | C2 | NA2 | 62.0° | 0.3° |
| HN1 | N1 | C2 | N3 | 125.5° | 180.0° |
| HN1 | N1 | C8A | C4A | 129.1° | 179.5° |
| HN1 | N1 | C8A | N8 | 39.3° | 0.9° |
| C2 | NA2 | HN21 | HN22 | 125.3° | 179.8° |
| NA2 | C2 | N3 | C4 | 169.8° | 179.9° |
| N3 | C2 | NA2 | HN21 | 7.4° | 0.1° |
| N3 | C2 | NA2 | HN22 | 118.0° | 179.7° |
| C2 | N3 | C4 | O4 | 172.8° | 179.8° |
| C2 | N3 | C4 | C4A | 2.3° | 0.1° |
| N3 | C4 | O4 | C4A | 170.6° | 179.9° |
| N3 | C4 | C4A | N5 | 173.7° | 179.7° |
| N3 | C4 | C4A | C8A | 1.3° | 0.6° |
| O4 | C4 | C4A | N5 | 3.2° | 0.3° |
| O4 | C4 | C4A | C8A | 169.2° | 179.4° |
| C4 | C4A | N5 | C8A | 172.2° | 179.1° |
| C4 | C4A | N5 | C6 | 168.0° | 167.1° |
| C4 | C4A | C8A | N8 | 164.4° | 179.1° |
| C4A | N5 | C6 | C7 | 18.7° | 1.6° |
| C4A | N5 | C6 | C9 | 160.3° | 178.4° |
| N5 | C4A | C8A | N8 | 8.2° | 0.0° |
| C8A | C4A | N5 | C6 | 19.9° | 13.8° |
| C4A | C8A | N8 | C7 | 35.9° | 28.3° |
| C4A | C8A | N8 | HN8 | 161.2° | 151.8° |
| N5 | C6 | C7 | C9 | 179.0° | 180.0° |
| N5 | C6 | C7 | N8 | 8.1° | 27.2° |
| N5 | C6 | C7 | H71 | 133.3° | 147.0° |
| N5 | C6 | C7 | H72 | 117.1° | 92.8° |
| N5 | C6 | C9 | N10 | 18.0° | 0.0° |
| N5 | C6 | C9 | H91 | 143.2° | 120.0° |
| N5 | C6 | C9 | H92 | 107.3° | 120.0° |
| C6 | C7 | N8 | H71 | 125.2° | 119.8° |
| C6 | C7 | N8 | H72 | 125.2° | 119.9° |
| C6 | C7 | H71 | H72 | 117.5° | 120.3° |
| C6 | C7 | N8 | C8A | 34.8° | 39.7° |
| C6 | C7 | N8 | HN8 | 160.0° | 140.4° |
| C7 | C6 | C9 | N10 | 161.1° | 180.0° |
| C7 | C6 | C9 | H91 | 35.8° | 60.0° |
| C7 | C6 | C9 | H92 | 73.7° | 60.0° |
| C9 | C6 | C7 | N8 | 172.9° | 152.9° |
| C9 | C6 | C7 | H71 | 47.7° | 33.1° |
| C9 | C6 | C7 | H72 | 61.9° | 87.2° |
| C6 | C9 | N10 | H91 | 125.3° | 120.0° |
| C6 | C9 | N10 | H92 | 125.2° | 120.0° |
| C6 | C9 | H91 | H92 | 117.2° | 120.0° |
| C6 | C9 | N10 | C14 | 66.7° | 180.0° |
| C6 | C9 | N10 | HN0 | 58.6° | 0.0° |
| N8 | C7 | H71 | H72 | 117.4° | 120.3° |
| C7 | N8 | C8A | HN8 | 125.3° | 179.9° |
| H71 | C7 | N8 | C8A | 160.0° | 159.5° |
| H71 | C7 | N8 | HN8 | 74.7° | 20.6° |
| H72 | C7 | N8 | C8A | 90.5° | 80.3° |
| H72 | C7 | N8 | HN8 | 34.8° | 99.7° |
| N10 | C9 | H91 | H92 | 117.2° | 120.0° |
| C9 | N10 | C14 | HN0 | 125.3° | 180.0° |
| C9 | N10 | C14 | C13 | 7.6° | 180.0° |
| C9 | N10 | C14 | C15 | 171.1° | 0.3° |
| H91 | C9 | N10 | C14 | 58.6° | 60.0° |
| H91 | C9 | N10 | HN0 | 176.1° | 120.0° |
| H92 | C9 | N10 | C14 | 168.1° | 60.0° |
| H92 | C9 | N10 | HN0 | 66.6° | 120.0° |
| N10 | C14 | C13 | C12 | 178.8° | 180.0° |
| N10 | C14 | C13 | C15 | 178.6° | 179.7° |
| N10 | C14 | C13 | H13 | 1.1° | 0.0° |
| N10 | C14 | C15 | C16 | 179.1° | 179.8° |
| N10 | C14 | C15 | H15 | 0.8° | 0.3° |
| HN0 | N10 | C14 | C13 | 132.9° | 0.0° |
| HN0 | N10 | C14 | C15 | 45.8° | 179.7° |
| C12 | C11 | C16 | C | 175.5° | 180.0° |
| C11 | C12 | C13 | H12 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C11 | C12 | C13 | H13 | 179.3° | 180.0° |
| C12 | C11 | C16 | C15 | 1.1° | 0.2° |
| C12 | C11 | C16 | H16 | 178.9° | 179.9° |
| C12 | C11 | C | O | 14.7° | 0.0° |
| C12 | C11 | C | N | 166.1° | 180.0° |
| C16 | C11 | C12 | C13 | 1.3° | 0.1° |
| C16 | C11 | C12 | H12 | 178.6° | 180.0° |
| C11 | C16 | C15 | C14 | 0.2° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| C11 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C11 | C | O | 169.8° | 180.0° |
| C16 | C11 | C | N | 9.5° | 0.0° |
| C | C11 | C12 | C13 | 174.2° | 180.0° |
| C | C11 | C12 | H12 | 5.8° | 0.0° |
| C | C11 | C16 | C15 | 174.4° | 179.8° |
| C | C11 | C16 | H16 | 5.7° | 0.1° |
| C11 | C | O | N | 179.2° | 179.9° |
| C11 | C | N | CA | 177.3° | 180.0° |
| C11 | C | N | HN | 2.6° | 0.1° |
| C12 | C13 | C14 | H13 | 179.9° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| H12 | C12 | C13 | C14 | 179.2° | 180.0° |
| H12 | C12 | C13 | H13 | 0.7° | 0.1° |
| C13 | C14 | C15 | C16 | 0.4° | 0.5° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| H13 | C13 | C14 | C15 | 179.8° | 179.7° |
| C14 | C15 | C16 | H15 | 179.9° | 179.5° |
| C14 | C15 | C16 | H16 | 179.8° | 179.6° |
| H15 | C15 | C16 | H16 | 0.2° | 0.2° |
| O | C | N | CA | 2.0° | 0.1° |
| O | C | N | HN | 178.1° | 180.0° |
| C | N | CA | HN | 179.9° | 179.9° |
| C | N | CA | CB | 86.9° | 150.1° |
| C | N | CA | CT | 149.2° | 90.0° |
| C | N | CA | HA | 32.0° | 30.0° |
| N | CA | CB | CT | 124.0° | 120.0° |
| N | CA | CB | HA | 118.8° | 120.1° |
| N | CA | CT | HA | 118.6° | 120.0° |
| N | CA | CB | CG | 44.6° | 60.0° |
| N | CA | CB | HB1 | 169.8° | 60.0° |
| N | CA | CB | HB2 | 80.7° | 180.0° |
| N | CA | CT | O1 | 162.2° | 150.0° |
| N | CA | CT | O2 | 14.1° | 30.0° |
| HN | N | CA | CB | 93.2° | 30.0° |
| HN | N | CA | CT | 30.8° | 90.0° |
| HN | N | CA | HA | 147.9° | 150.1° |
| CB | CA | CT | HA | 118.8° | 119.9° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 115.0° | 120.0° |
| CA | CB | CG | CD | 164.4° | 180.0° |
| CA | CB | CG | HG1 | 39.1° | 60.0° |
| CA | CB | CG | HG2 | 70.3° | 60.0° |
| CB | CA | CT | O1 | 75.2° | 90.0° |
| CB | CA | CT | O2 | 108.5° | 90.0° |
| CT | CA | CB | CG | 79.4° | 180.0° |
| CT | CA | CB | HB1 | 45.8° | 60.0° |
| CT | CA | CB | HB2 | 155.3° | 60.0° |
| CA | CT | O1 | O2 | 176.2° | 180.0° |
| CA | CT | O2 | HO2 | 179.9° | 180.0° |
| HA | CA | CB | CG | 163.4° | 60.1° |
| HA | CA | CB | HB1 | 71.3° | 179.9° |
| HA | CA | CB | HB2 | 38.2° | 59.9° |
| HA | CA | CT | O1 | 43.6° | 30.0° |
| HA | CA | CT | O2 | 132.7° | 150.1° |
| CG | CB | HB1 | HB2 | 115.1° | 120.0° |
| CB | CG | CD | HG1 | 125.2° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 119.9° |
| CB | CG | HG1 | HG2 | 116.1° | 119.9° |
| CB | CG | CD | OE1 | 74.1° | 0.1° |
| CB | CG | CD | OE2 | 108.1° | 180.0° |
| HB1 | CB | CG | CD | 70.4° | 60.0° |
| HB1 | CB | CG | HG1 | 164.3° | 180.0° |
| HB1 | CB | CG | HG2 | 54.9° | 60.0° |
| HB2 | CB | CG | CD | 39.1° | 60.0° |
| HB2 | CB | CG | HG1 | 86.1° | 60.0° |
| HB2 | CB | CG | HG2 | 164.4° | 180.0° |
| CD | CG | HG1 | HG2 | 116.2° | 120.0° |
| CG | CD | OE1 | OE2 | 177.8° | 180.0° |
| CG | CD | OE2 | HOE2 | 180.0° | 180.0° |
| HG1 | CG | CD | OE1 | 51.2° | 120.0° |
| HG1 | CG | CD | OE2 | 126.7° | 60.0° |
| HG2 | CG | CD | OE1 | 160.7° | 120.0° |
| HG2 | CG | CD | OE2 | 17.2° | 60.0° |
| OE1 | CD | OE2 | HOE2 | 2.1° | 0.0° |
| O1 | CT | O2 | HO2 | 3.8° | 0.1° |
