FOL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| N1 | C8A | sing | 1.38Å | 1.35Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | NA2 | sing | 1.37Å | 1.27Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| NA2 | HN21 | sing | 0.97Å | 1.02Å | |
| NA2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.32Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.30Å | |
| C4 | C4A | sing | 1.48Å | 1.47Å | Aromatic |
| C4A | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C4A | C8A | doub | 1.41Å | 1.39Å | Aromatic |
| N5 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.53Å | |
| C7 | N8 | doub | 1.32Å | 1.32Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N8 | C8A | sing | 1.33Å | 1.32Å | Aromatic |
| C9 | N10 | sing | 1.46Å | 1.41Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| N10 | C14 | sing | 1.39Å | 1.39Å | |
| N10 | HN0 | sing | 0.97Å | 1.02Å | |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.47Å | |
| C12 | C13 | sing | 1.37Å | 1.40Å | 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 | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.36Å | 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 | 1.30Å | |
| N | CA | sing | 1.47Å | 1.43Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | CT | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.50Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.51Å | 1.47Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | OE1 | doub | 1.21Å | 1.29Å | |
| CD | OE2 | sing | 1.34Å | 1.30Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å | |
| CT | O1 | doub | 1.21Å | 1.24Å | |
| CT | O2 | sing | 1.34Å | 1.21Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 123.2° | 120.5° |
| C2 | N1 | HN1 | 107.3° | 119.8° |
| N1 | C2 | NA2 | 114.5° | 118.5° |
| N1 | C2 | N3 | 121.2° | 123.0° |
| C8A | N1 | HN1 | 107.4° | 119.7° |
| N1 | C8A | C4A | 118.1° | 118.5° |
| N1 | C8A | N8 | 119.3° | 121.8° |
| NA2 | C2 | N3 | 124.1° | 118.6° |
| C2 | NA2 | HN21 | 114.5° | 120.0° |
| C2 | NA2 | HN22 | 110.4° | 120.0° |
| C2 | N3 | C4 | 118.8° | 121.7° |
| HN21 | NA2 | HN22 | 110.3° | 119.9° |
| N3 | C4 | O4 | 122.8° | 120.8° |
| N3 | C4 | C4A | 122.3° | 118.4° |
| O4 | C4 | C4A | 114.9° | 120.8° |
| C4 | C4A | N5 | 120.9° | 121.9° |
| C4 | C4A | C8A | 116.1° | 118.0° |
| N5 | C4A | C8A | 123.0° | 120.1° |
| C4A | N5 | C6 | 114.0° | 119.6° |
| C4A | C8A | N8 | 122.5° | 119.7° |
| N5 | C6 | C7 | 121.7° | 120.4° |
| N5 | C6 | C9 | 119.0° | 119.8° |
| C7 | C6 | C9 | 119.3° | 119.8° |
| C6 | C7 | N8 | 124.5° | 120.5° |
| C6 | C7 | H7 | 120.6° | 119.8° |
| C6 | C9 | N10 | 113.9° | 109.5° |
| C6 | C9 | H91 | 110.6° | 109.5° |
| C6 | C9 | H92 | 110.6° | 109.5° |
| N8 | C7 | H7 | 114.8° | 119.7° |
| C7 | N8 | C8A | 114.1° | 119.6° |
| N10 | C9 | H91 | 110.6° | 109.4° |
| N10 | C9 | H92 | 110.6° | 109.4° |
| C9 | N10 | C14 | 125.9° | 120.0° |
| C9 | N10 | HN0 | 106.4° | 119.9° |
| H91 | C9 | H92 | 99.7° | 109.5° |
| C14 | N10 | HN0 | 106.4° | 120.0° |
| N10 | C14 | C13 | 119.0° | 119.9° |
| N10 | C14 | C15 | 125.0° | 119.9° |
| C12 | C11 | C16 | 116.0° | 119.8° |
| C12 | C11 | C | 121.6° | 120.1° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C11 | C12 | H12 | 119.0° | 120.1° |
| C16 | C11 | C | 122.3° | 120.1° |
| C11 | C16 | C15 | 124.7° | 119.9° |
| C11 | C16 | H16 | 118.1° | 120.0° |
| C11 | C | O | 126.6° | 120.0° |
| C11 | C | N | 123.0° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C12 | C13 | C14 | 121.9° | 120.1° |
| C12 | C13 | H13 | 118.9° | 120.0° |
| C14 | C13 | H13 | 119.2° | 119.9° |
| C13 | C14 | C15 | 115.9° | 120.1° |
| C14 | C15 | C16 | 120.6° | 120.1° |
| C14 | C15 | H15 | 120.9° | 119.9° |
| C16 | C15 | H15 | 118.5° | 120.0° |
| C15 | C16 | H16 | 117.3° | 120.1° |
| O | C | N | 110.3° | 120.0° |
| C | N | CA | 128.1° | 120.0° |
| C | N | HN | 110.2° | 120.0° |
| CA | N | HN | 121.7° | 120.0° |
| N | CA | CB | 113.2° | 109.5° |
| N | CA | CT | 107.8° | 109.5° |
| N | CA | HA | 107.9° | 109.5° |
| CB | CA | CT | 108.8° | 109.5° |
| CB | CA | HA | 106.8° | 109.5° |
| CA | CB | CG | 110.1° | 109.5° |
| CA | CB | HB1 | 112.0° | 109.5° |
| CA | CB | HB2 | 112.0° | 109.5° |
| CT | CA | HA | 112.5° | 109.5° |
| CA | CT | O1 | 111.0° | 120.0° |
| CA | CT | O2 | 116.0° | 120.1° |
| CG | CB | HB1 | 111.9° | 109.4° |
| CG | CB | HB2 | 111.9° | 109.5° |
| CB | CG | CD | 106.0° | 109.5° |
| CB | CG | HG1 | 113.5° | 109.4° |
| CB | CG | HG2 | 113.6° | 109.5° |
| HB1 | CB | HB2 | 98.4° | 109.5° |
| CD | CG | HG1 | 113.5° | 109.4° |
| CD | CG | HG2 | 113.5° | 109.5° |
| CG | CD | OE1 | 133.5° | 120.0° |
| CG | CD | OE2 | 121.4° | 120.0° |
| HG1 | CG | HG2 | 97.0° | 109.5° |
| OE1 | CD | OE2 | 105.1° | 120.0° |
| CD | OE2 | HOE2 | 121.4° | 120.0° |
| O1 | CT | O2 | 132.8° | 120.0° |
| CT | O2 | HO2 | 116.0° | 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 | 176.1° | 179.7° |
| N1 | C2 | NA2 | HN21 | 180.0° | 179.7° |
| N1 | C2 | NA2 | HN22 | 54.8° | 0.5° |
| N1 | C2 | N3 | C4 | 5.9° | 0.3° |
| C2 | N1 | C8A | C4A | 2.2° | 0.5° |
| C2 | N1 | C8A | N8 | 175.5° | 179.7° |
| C8A | N1 | C2 | NA2 | 177.5° | 179.7° |
| C8A | N1 | C2 | N3 | 6.3° | 0.5° |
| N1 | C8A | C4A | C4 | 1.7° | 0.2° |
| N1 | C8A | C4A | N5 | 178.3° | 179.7° |
| N1 | C8A | C4A | N8 | 177.7° | 179.8° |
| N1 | C8A | N8 | C7 | 178.7° | 179.7° |
| HN1 | N1 | C2 | NA2 | 57.3° | 0.1° |
| HN1 | N1 | C2 | N3 | 118.9° | 179.6° |
| HN1 | N1 | C8A | C4A | 123.0° | 179.7° |
| HN1 | N1 | C8A | N8 | 59.2° | 0.1° |
| C2 | NA2 | HN21 | HN22 | 125.3° | 179.8° |
| NA2 | C2 | N3 | C4 | 178.3° | 180.0° |
| N3 | C2 | NA2 | HN21 | 3.9° | 0.0° |
| N3 | C2 | NA2 | HN22 | 129.2° | 179.8° |
| C2 | N3 | C4 | O4 | 177.0° | 180.0° |
| C2 | N3 | C4 | C4A | 1.8° | 0.1° |
| N3 | C4 | O4 | C4A | 178.9° | 179.9° |
| N3 | C4 | C4A | N5 | 178.0° | 180.0° |
| N3 | C4 | C4A | C8A | 2.0° | 0.1° |
| O4 | C4 | C4A | N5 | 0.9° | 0.1° |
| O4 | C4 | C4A | C8A | 179.1° | 180.0° |
| C4 | C4A | N5 | C8A | 180.0° | 179.9° |
| C4 | C4A | N5 | C6 | 177.7° | 179.9° |
| C4 | C4A | C8A | N8 | 179.4° | 180.0° |
| C4A | N5 | C6 | C7 | 2.0° | 0.0° |
| C4A | N5 | C6 | C9 | 178.1° | 180.0° |
| N5 | C4A | C8A | N8 | 0.6° | 0.1° |
| C8A | C4A | N5 | C6 | 2.3° | 0.0° |
| C4A | C8A | N8 | C7 | 3.7° | 0.1° |
| N5 | C6 | C7 | C9 | 179.9° | 180.0° |
| N5 | C6 | C7 | N8 | 1.3° | 0.0° |
| N5 | C6 | C7 | H7 | 178.7° | 180.0° |
| N5 | C6 | C9 | N10 | 14.6° | 0.0° |
| N5 | C6 | C9 | H91 | 139.8° | 120.0° |
| N5 | C6 | C9 | H92 | 110.7° | 120.0° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | C8A | 4.1° | 0.1° |
| C7 | C6 | C9 | N10 | 165.4° | 180.0° |
| C7 | C6 | C9 | H91 | 40.1° | 60.0° |
| C7 | C6 | C9 | H92 | 69.4° | 60.0° |
| C9 | C6 | C7 | N8 | 178.6° | 180.0° |
| C9 | C6 | C7 | H7 | 1.4° | 0.0° |
| C6 | C9 | N10 | H91 | 125.3° | 120.0° |
| C6 | C9 | N10 | H92 | 125.3° | 120.0° |
| C6 | C9 | H91 | H92 | 116.5° | 120.0° |
| C6 | C9 | N10 | C14 | 62.6° | 180.0° |
| C6 | C9 | N10 | HN0 | 62.6° | 0.0° |
| H7 | C7 | N8 | C8A | 175.9° | 179.9° |
| N10 | C9 | H91 | H92 | 116.4° | 120.0° |
| C9 | N10 | C14 | HN0 | 125.3° | 180.0° |
| C9 | N10 | C14 | C13 | 175.8° | 180.0° |
| C9 | N10 | C14 | C15 | 5.8° | 0.2° |
| H91 | C9 | N10 | C14 | 62.6° | 60.0° |
| H91 | C9 | N10 | HN0 | 172.1° | 120.0° |
| H92 | C9 | N10 | C14 | 172.1° | 60.0° |
| H92 | C9 | N10 | HN0 | 62.7° | 120.0° |
| N10 | C14 | C13 | C12 | 175.9° | 180.0° |
| N10 | C14 | C13 | C15 | 178.5° | 179.7° |
| N10 | C14 | C13 | H13 | 4.1° | 0.1° |
| N10 | C14 | C15 | C16 | 178.1° | 179.7° |
| N10 | C14 | C15 | H15 | 1.9° | 0.2° |
| HN0 | N10 | C14 | C13 | 58.9° | 0.1° |
| HN0 | N10 | C14 | C15 | 119.5° | 179.8° |
| C12 | C11 | C16 | C | 177.2° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.5° | 0.1° |
| C11 | C12 | C13 | H13 | 178.6° | 180.0° |
| C12 | C11 | C16 | C15 | 4.5° | 0.3° |
| C12 | C11 | C16 | H16 | 175.5° | 180.0° |
| C12 | C11 | C | O | 1.6° | 0.0° |
| C12 | C11 | C | N | 175.0° | 180.0° |
| C16 | C11 | C12 | C13 | 2.0° | 0.1° |
| C16 | C11 | C12 | H12 | 178.0° | 179.9° |
| C11 | C16 | C15 | C14 | 3.4° | 0.6° |
| C11 | C16 | C15 | H16 | 179.9° | 179.7° |
| C11 | C16 | C15 | H15 | 176.6° | 179.9° |
| C16 | C11 | C | O | 178.7° | 179.9° |
| C16 | C11 | C | N | 2.1° | 0.1° |
| C | C11 | C12 | C13 | 179.3° | 180.0° |
| C | C11 | C12 | H12 | 0.8° | 0.0° |
| C | C11 | C16 | C15 | 178.2° | 179.7° |
| C | C11 | C16 | H16 | 1.7° | 0.1° |
| C11 | C | O | N | 177.0° | 180.0° |
| C11 | C | N | CA | 174.5° | 180.0° |
| C11 | C | N | HN | 5.5° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.6° | 0.3° |
| H12 | C12 | C13 | C14 | 178.5° | 179.9° |
| H12 | C12 | C13 | H13 | 1.5° | 0.1° |
| C13 | C14 | C15 | C16 | 0.3° | 0.6° |
| C13 | C14 | C15 | H15 | 179.7° | 179.9° |
| H13 | C13 | C14 | C15 | 177.4° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | H16 | 176.6° | 179.8° |
| H15 | C15 | C16 | H16 | 3.4° | 0.3° |
| O | C | N | CA | 2.6° | 0.0° |
| O | C | N | HN | 177.4° | 179.9° |
| C | N | CA | HN | 180.0° | 179.9° |
| C | N | CA | CB | 77.5° | 150.0° |
| C | N | CA | CT | 162.1° | 90.0° |
| C | N | CA | HA | 40.5° | 30.0° |
| N | CA | CB | CT | 119.7° | 120.0° |
| N | CA | CB | HA | 118.6° | 120.0° |
| N | CA | CT | HA | 118.8° | 120.0° |
| N | CA | CB | CG | 75.7° | 59.9° |
| N | CA | CB | HB1 | 49.5° | 60.0° |
| N | CA | CB | HB2 | 159.0° | 180.0° |
| N | CA | CT | O1 | 154.7° | 150.0° |
| N | CA | CT | O2 | 30.2° | 30.0° |
| HN | N | CA | CB | 102.4° | 30.1° |
| HN | N | CA | CT | 17.9° | 89.9° |
| HN | N | CA | HA | 139.6° | 150.1° |
| CB | CA | CT | HA | 118.1° | 120.0° |
| CA | CB | CG | HB1 | 125.3° | 119.9° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | HB1 | HB2 | 117.9° | 120.1° |
| CA | CB | CG | CD | 165.3° | 180.0° |
| CA | CB | CG | HG1 | 40.1° | 60.1° |
| CA | CB | CG | HG2 | 69.4° | 60.0° |
| CB | CA | CT | O1 | 82.2° | 90.0° |
| CB | CA | CT | O2 | 92.9° | 90.0° |
| CT | CA | CB | CG | 164.5° | 179.9° |
| CT | CA | CB | HB1 | 70.2° | 60.0° |
| CT | CA | CB | HB2 | 39.3° | 60.0° |
| CA | CT | O1 | O2 | 174.0° | 180.0° |
| CA | CT | O2 | HO2 | 179.9° | 180.0° |
| HA | CA | CB | CG | 42.9° | 60.1° |
| HA | CA | CB | HB1 | 168.2° | 180.0° |
| HA | CA | CB | HB2 | 82.3° | 60.0° |
| HA | CA | CT | O1 | 35.9° | 30.0° |
| HA | CA | CT | O2 | 149.0° | 150.0° |
| CG | CB | HB1 | HB2 | 117.8° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 119.9° |
| CB | CG | CD | HG2 | 125.3° | 120.1° |
| CB | CG | HG1 | HG2 | 119.5° | 120.1° |
| CB | CG | CD | OE1 | 7.7° | 0.1° |
| CB | CG | CD | OE2 | 174.2° | 179.9° |
| HB1 | CB | CG | CD | 69.4° | 60.1° |
| HB1 | CB | CG | HG1 | 165.4° | 180.0° |
| HB1 | CB | CG | HG2 | 55.9° | 59.9° |
| HB2 | CB | CG | CD | 40.1° | 59.9° |
| HB2 | CB | CG | HG1 | 85.2° | 60.0° |
| HB2 | CB | CG | HG2 | 165.3° | 179.9° |
| CD | CG | HG1 | HG2 | 119.4° | 120.0° |
| CG | CD | OE1 | OE2 | 178.3° | 180.0° |
| CG | CD | OE2 | HOE2 | 180.0° | 180.0° |
| HG1 | CG | CD | OE1 | 117.6° | 120.0° |
| HG1 | CG | CD | OE2 | 60.5° | 60.0° |
| HG2 | CG | CD | OE1 | 133.0° | 120.0° |
| HG2 | CG | CD | OE2 | 48.9° | 60.0° |
| OE1 | CD | OE2 | HOE2 | 1.4° | 0.0° |
| O1 | CT | O2 | HO2 | 6.2° | 0.0° |
