DZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | C8A | sing | 1.38Å | 1.46Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | NA2 | sing | 1.37Å | 1.36Å | |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| NA2 | HN21 | sing | 0.97Å | 1.02Å | |
| NA2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.52Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.37Å | |
| C4 | C4A | sing | 1.47Å | 1.42Å | Aromatic |
| C4A | C5 | sing | 1.39Å | 1.47Å | Aromatic |
| C4A | C8A | doub | 1.40Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.39Å | 1.48Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.63Å | |
| C7 | N8 | doub | 1.32Å | 1.20Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N8 | C8A | sing | 1.32Å | 1.40Å | Aromatic |
| C9 | N10 | sing | 1.47Å | 1.63Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| N10 | C14 | sing | 1.39Å | 1.41Å | |
| N10 | HN0 | sing | 0.97Å | 1.02Å | |
| C11 | C12 | doub | 1.40Å | 1.36Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.22Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.47Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.39Å | 1.52Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.29Å | |
| N | CA | sing | 1.47Å | 1.40Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.47Å | |
| CA | CT | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.59Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.51Å | 1.66Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | OE1 | doub | 1.21Å | 1.48Å | |
| CD | OE2 | sing | 1.34Å | 1.39Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å | |
| CT | O1 | doub | 1.21Å | 1.23Å | |
| CT | O2 | sing | 1.34Å | 1.29Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 122.1° | 120.5° |
| C2 | N1 | HN1 | 107.7° | 119.8° |
| N1 | C2 | NA2 | 128.9° | 118.5° |
| N1 | C2 | N3 | 115.5° | 123.1° |
| C8A | N1 | HN1 | 107.7° | 119.7° |
| N1 | C8A | C4A | 123.2° | 118.2° |
| N1 | C8A | N8 | 112.9° | 121.7° |
| NA2 | C2 | N3 | 115.6° | 118.4° |
| C2 | NA2 | HN21 | 128.9° | 120.0° |
| C2 | NA2 | HN22 | 105.4° | 120.0° |
| C2 | N3 | C4 | 126.5° | 121.5° |
| HN21 | NA2 | HN22 | 105.4° | 120.0° |
| N3 | C4 | O4 | 124.5° | 120.8° |
| N3 | C4 | C4A | 114.9° | 118.3° |
| O4 | C4 | C4A | 120.6° | 120.9° |
| C4 | C4A | C5 | 116.6° | 122.1° |
| C4 | C4A | C8A | 117.7° | 118.4° |
| C5 | C4A | C8A | 125.0° | 119.6° |
| C4A | C5 | C6 | 107.9° | 117.9° |
| C4A | C5 | H5 | 129.2° | 121.1° |
| C4A | C8A | N8 | 123.3° | 120.1° |
| C6 | C5 | H5 | 122.9° | 121.0° |
| C5 | C6 | C7 | 121.8° | 119.4° |
| C5 | C6 | C9 | 118.6° | 120.3° |
| C7 | C6 | C9 | 119.6° | 120.3° |
| C6 | C7 | N8 | 129.7° | 121.6° |
| C6 | C7 | H7 | 127.6° | 119.1° |
| C6 | C9 | N10 | 110.9° | 109.5° |
| C6 | C9 | H91 | 111.6° | 109.5° |
| C6 | C9 | H92 | 111.6° | 109.5° |
| N8 | C7 | H7 | 102.7° | 119.3° |
| C7 | N8 | C8A | 112.0° | 121.5° |
| N10 | C9 | H91 | 111.7° | 109.4° |
| N10 | C9 | H92 | 111.6° | 109.5° |
| C9 | N10 | C14 | 124.5° | 120.0° |
| C9 | N10 | HN0 | 106.9° | 119.9° |
| H91 | C9 | H92 | 98.8° | 109.5° |
| C14 | N10 | HN0 | 106.9° | 120.0° |
| N10 | C14 | C13 | 113.3° | 119.9° |
| N10 | C14 | C15 | 125.8° | 119.9° |
| C12 | C11 | C16 | 122.3° | 119.9° |
| C12 | C11 | C | 118.8° | 120.1° |
| C11 | C12 | C13 | 122.8° | 119.9° |
| C11 | C12 | H12 | 116.7° | 120.0° |
| C16 | C11 | C | 118.9° | 120.1° |
| C11 | C16 | C15 | 126.9° | 119.9° |
| C11 | C16 | H16 | 109.7° | 120.1° |
| C11 | C | O | 118.0° | 120.0° |
| C11 | C | N | 122.4° | 120.0° |
| C13 | C12 | H12 | 120.5° | 120.1° |
| C12 | C13 | C14 | 111.6° | 120.1° |
| C12 | C13 | H13 | 120.9° | 119.9° |
| C14 | C13 | H13 | 127.5° | 120.0° |
| C13 | C14 | C15 | 120.9° | 120.2° |
| C14 | C15 | C16 | 115.6° | 120.1° |
| C14 | C15 | H15 | 123.2° | 120.0° |
| C16 | C15 | H15 | 121.2° | 119.9° |
| C15 | C16 | H16 | 123.5° | 120.1° |
| O | C | N | 119.0° | 120.0° |
| C | N | CA | 122.5° | 120.0° |
| C | N | HN | 114.4° | 120.0° |
| CA | N | HN | 123.1° | 120.0° |
| N | CA | CB | 99.1° | 109.5° |
| N | CA | CT | 105.6° | 109.5° |
| N | CA | HA | 119.1° | 109.5° |
| CB | CA | CT | 112.2° | 109.5° |
| CB | CA | HA | 113.1° | 109.5° |
| CA | CB | CG | 116.5° | 109.5° |
| CA | CB | HB1 | 109.7° | 109.4° |
| CA | CB | HB2 | 109.7° | 109.4° |
| CT | CA | HA | 107.5° | 109.5° |
| CA | CT | O1 | 120.1° | 120.0° |
| CA | CT | O2 | 119.3° | 120.0° |
| CG | CB | HB1 | 109.6° | 109.5° |
| CG | CB | HB2 | 109.6° | 109.5° |
| CB | CG | CD | 98.6° | 109.5° |
| CB | CG | HG1 | 116.4° | 109.5° |
| CB | CG | HG2 | 116.4° | 109.5° |
| HB1 | CB | HB2 | 100.5° | 109.4° |
| CD | CG | HG1 | 116.4° | 109.4° |
| CD | CG | HG2 | 116.4° | 109.4° |
| CG | CD | OE1 | 114.7° | 120.0° |
| CG | CD | OE2 | 120.2° | 120.1° |
| HG1 | CG | HG2 | 94.0° | 109.4° |
| OE1 | CD | OE2 | 125.1° | 119.9° |
| CD | OE2 | HOE2 | 120.1° | 120.0° |
| O1 | CT | O2 | 120.6° | 120.0° |
| CT | O2 | HO2 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8A | HN1 | 125.2° | 179.8° |
| N1 | C2 | NA2 | N3 | 179.1° | 179.9° |
| N1 | C2 | NA2 | HN21 | 180.0° | 179.7° |
| N1 | C2 | NA2 | HN22 | 54.8° | 0.4° |
| N1 | C2 | N3 | C4 | 0.9° | 0.2° |
| C2 | N1 | C8A | C4A | 4.1° | 0.4° |
| C2 | N1 | C8A | N8 | 175.0° | 179.8° |
| C8A | N1 | C2 | NA2 | 178.6° | 179.7° |
| C8A | N1 | C2 | N3 | 0.5° | 0.4° |
| N1 | C8A | C4A | C4 | 5.8° | 0.2° |
| N1 | C8A | C4A | C5 | 164.5° | 179.7° |
| N1 | C8A | C4A | N8 | 169.9° | 179.8° |
| N1 | C8A | N8 | C7 | 167.7° | 179.7° |
| HN1 | N1 | C2 | NA2 | 53.4° | 0.1° |
| HN1 | N1 | C2 | N3 | 125.7° | 179.7° |
| HN1 | N1 | C8A | C4A | 129.3° | 179.7° |
| HN1 | N1 | C8A | N8 | 59.8° | 0.1° |
| C2 | NA2 | HN21 | HN22 | 125.3° | 179.9° |
| NA2 | C2 | N3 | C4 | 179.8° | 179.9° |
| N3 | C2 | NA2 | HN21 | 0.8° | 0.2° |
| N3 | C2 | NA2 | HN22 | 126.1° | 179.8° |
| C2 | N3 | C4 | O4 | 179.4° | 180.0° |
| C2 | N3 | C4 | C4A | 0.9° | 0.0° |
| N3 | C4 | O4 | C4A | 178.5° | 180.0° |
| N3 | C4 | C4A | C5 | 167.0° | 179.9° |
| N3 | C4 | C4A | C8A | 4.1° | 0.0° |
| O4 | C4 | C4A | C5 | 11.6° | 0.0° |
| O4 | C4 | C4A | C8A | 177.2° | 180.0° |
| C4 | C4A | C5 | C8A | 170.4° | 180.0° |
| C4 | C4A | C5 | C6 | 174.8° | 180.0° |
| C4 | C4A | C5 | H5 | 5.2° | 0.1° |
| C4 | C4A | C8A | N8 | 175.8° | 180.0° |
| C4A | C5 | C6 | H5 | 180.0° | 180.0° |
| C4A | C5 | C6 | C7 | 1.8° | 0.0° |
| C4A | C5 | C6 | C9 | 179.5° | 180.0° |
| C5 | C4A | C8A | N8 | 5.5° | 0.1° |
| C8A | C4A | C5 | C6 | 4.4° | 0.0° |
| C8A | C4A | C5 | H5 | 175.6° | 180.0° |
| C4A | C8A | N8 | C7 | 3.1° | 0.0° |
| C5 | C6 | C7 | C9 | 178.7° | 179.9° |
| C5 | C6 | C7 | N8 | 0.2° | 0.1° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| C5 | C6 | C9 | N10 | 16.3° | 90.0° |
| C5 | C6 | C9 | H91 | 141.5° | 150.0° |
| C5 | C6 | C9 | H92 | 108.9° | 30.0° |
| H5 | C5 | C6 | C7 | 178.2° | 179.9° |
| H5 | C5 | C6 | C9 | 0.5° | 0.0° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | C8A | 0.6° | 0.0° |
| C7 | C6 | C9 | N10 | 162.4° | 90.0° |
| C7 | C6 | C9 | H91 | 37.2° | 29.9° |
| C7 | C6 | C9 | H92 | 72.4° | 150.0° |
| C9 | C6 | C7 | N8 | 178.8° | 180.0° |
| C9 | C6 | C7 | H7 | 1.2° | 0.1° |
| C6 | C9 | N10 | H91 | 125.2° | 120.0° |
| C6 | C9 | N10 | H92 | 125.2° | 120.0° |
| C6 | C9 | H91 | H92 | 117.6° | 120.1° |
| C6 | C9 | N10 | C14 | 61.1° | 180.0° |
| C6 | C9 | N10 | HN0 | 64.2° | 0.0° |
| H7 | C7 | N8 | C8A | 179.4° | 180.0° |
| N10 | C9 | H91 | H92 | 117.6° | 120.0° |
| C9 | N10 | C14 | HN0 | 125.2° | 180.0° |
| C9 | N10 | C14 | C13 | 175.9° | 180.0° |
| C9 | N10 | C14 | C15 | 4.5° | 0.3° |
| H91 | C9 | N10 | C14 | 64.1° | 60.0° |
| H91 | C9 | N10 | HN0 | 170.6° | 120.0° |
| H92 | C9 | N10 | C14 | 173.7° | 60.0° |
| H92 | C9 | N10 | HN0 | 61.0° | 120.0° |
| N10 | C14 | C13 | C12 | 179.1° | 180.0° |
| N10 | C14 | C13 | C15 | 179.6° | 179.8° |
| N10 | C14 | C13 | H13 | 0.9° | 0.0° |
| N10 | C14 | C15 | C16 | 179.5° | 179.7° |
| N10 | C14 | C15 | H15 | 0.5° | 0.3° |
| HN0 | N10 | C14 | C13 | 50.7° | 0.0° |
| HN0 | N10 | C14 | C15 | 129.8° | 179.7° |
| C12 | C11 | C16 | C | 178.4° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.2° | 0.1° |
| C11 | C12 | C13 | H13 | 178.8° | 179.9° |
| C12 | C11 | C16 | C15 | 1.0° | 0.2° |
| C12 | C11 | C16 | H16 | 179.0° | 180.0° |
| C12 | C11 | C | O | 18.4° | 0.0° |
| C12 | C11 | C | N | 170.6° | 180.0° |
| C16 | C11 | C12 | C13 | 1.6° | 0.1° |
| C16 | C11 | C12 | H12 | 178.4° | 180.0° |
| C11 | C16 | C15 | C14 | 0.3° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C11 | C16 | C15 | H15 | 179.7° | 179.9° |
| C16 | C11 | C | O | 160.1° | 180.0° |
| C16 | C11 | C | N | 10.9° | 0.0° |
| C | C11 | C12 | C13 | 180.0° | 180.0° |
| C | C11 | C12 | H12 | 0.0° | 0.0° |
| C | C11 | C16 | C15 | 179.5° | 179.7° |
| C | C11 | C16 | H16 | 0.6° | 0.1° |
| C11 | C | O | N | 171.3° | 180.0° |
| C11 | C | N | CA | 174.5° | 180.0° |
| C11 | C | N | HN | 5.6° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.2° |
| H12 | C12 | C13 | C14 | 178.8° | 180.0° |
| H12 | C12 | C13 | H13 | 1.2° | 0.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.5° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 179.5° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.4° |
| C14 | C15 | C16 | H16 | 179.8° | 179.7° |
| H15 | C15 | C16 | H16 | 0.2° | 0.3° |
| O | C | N | CA | 3.5° | 0.0° |
| O | C | N | HN | 176.5° | 179.9° |
| C | N | CA | HN | 180.0° | 179.9° |
| C | N | CA | CB | 93.2° | 150.0° |
| C | N | CA | CT | 150.5° | 90.0° |
| C | N | CA | HA | 29.8° | 30.0° |
| N | CA | CB | CT | 111.1° | 120.0° |
| N | CA | CB | HA | 127.1° | 120.0° |
| N | CA | CT | HA | 128.1° | 120.0° |
| N | CA | CB | CG | 156.4° | 60.0° |
| N | CA | CB | HB1 | 31.1° | 60.0° |
| N | CA | CB | HB2 | 78.3° | 179.9° |
| N | CA | CT | O1 | 24.7° | 150.0° |
| N | CA | CT | O2 | 155.6° | 30.0° |
| HN | N | CA | CB | 86.7° | 29.9° |
| HN | N | CA | CT | 29.5° | 90.1° |
| HN | N | CA | HA | 150.3° | 150.0° |
| CB | CA | CT | HA | 125.0° | 120.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 115.4° | 119.9° |
| CA | CB | CG | CD | 106.0° | 180.0° |
| CA | CB | CG | HG1 | 19.2° | 60.0° |
| CA | CB | CG | HG2 | 128.7° | 60.0° |
| CB | CA | CT | O1 | 82.2° | 90.0° |
| CB | CA | CT | O2 | 97.5° | 90.0° |
| CT | CA | CB | CG | 92.5° | 180.0° |
| CT | CA | CB | HB1 | 142.2° | 59.9° |
| CT | CA | CB | HB2 | 32.8° | 60.0° |
| CA | CT | O1 | O2 | 179.7° | 179.9° |
| CA | CT | O2 | HO2 | 179.9° | 180.0° |
| HA | CA | CB | CG | 29.3° | 60.0° |
| HA | CA | CB | HB1 | 96.0° | 180.0° |
| HA | CA | CB | HB2 | 154.6° | 60.0° |
| HA | CA | CT | O1 | 152.8° | 30.0° |
| HA | CA | CT | O2 | 27.5° | 149.9° |
| CG | CB | HB1 | HB2 | 115.4° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.1° |
| CB | CG | HG1 | HG2 | 122.2° | 120.1° |
| CB | CG | CD | OE1 | 178.4° | 0.0° |
| CB | CG | CD | OE2 | 2.2° | 180.0° |
| HB1 | CB | CG | CD | 128.7° | 60.0° |
| HB1 | CB | CG | HG1 | 106.1° | 180.0° |
| HB1 | CB | CG | HG2 | 3.4° | 60.0° |
| HB2 | CB | CG | CD | 19.2° | 60.0° |
| HB2 | CB | CG | HG1 | 144.5° | 60.0° |
| HB2 | CB | CG | HG2 | 106.0° | NaN° |
| CD | CG | HG1 | HG2 | 122.2° | 119.9° |
| CG | CD | OE1 | OE2 | 179.4° | 179.9° |
| CG | CD | OE2 | HOE2 | 180.0° | 179.9° |
| HG1 | CG | CD | OE1 | 56.4° | 120.0° |
| HG1 | CG | CD | OE2 | 123.0° | 59.9° |
| HG2 | CG | CD | OE1 | 53.1° | 120.1° |
| HG2 | CG | CD | OE2 | 127.5° | 60.0° |
| OE1 | CD | OE2 | HOE2 | 0.7° | 0.1° |
| O1 | CT | O2 | HO2 | 0.3° | 0.1° |
