BGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | doub | 1.36Å | 1.39Å | Aromatic |
| CA | O1 | sing | 1.35Å | 1.39Å | Aromatic |
| CA | C1 | sing | 1.47Å | 1.45Å | Aromatic |
| CB | CB' | sing | 1.40Å | 1.46Å | Aromatic |
| CB | HB | sing | 1.08Å | 1.10Å | |
| CB' | CA' | doub | 1.36Å | 1.37Å | Aromatic |
| CB' | HB' | sing | 1.08Å | 1.10Å | |
| CA' | O1 | sing | 1.35Å | 1.43Å | Aromatic |
| CA' | C1' | sing | 1.47Å | 1.42Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.37Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | N1 | sing | 1.33Å | 1.32Å | |
| C7 | N2 | doub | 1.33Å | 1.31Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C1' | C2' | doub | 1.40Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.37Å | 1.39Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | C4' | doub | 1.40Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.40Å | 1.42Å | Aromatic |
| C4' | C7' | sing | 1.48Å | 1.49Å | |
| C5' | C6' | doub | 1.37Å | 1.43Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C7' | N1' | sing | 1.33Å | 1.34Å | |
| C7' | N2' | doub | 1.33Å | 1.34Å | |
| N1' | H1'1 | sing | 0.97Å | 1.02Å | |
| N1' | H1'2 | sing | 0.97Å | 1.02Å | |
| N2' | H2'1 | sing | 0.97Å | 1.02Å | |
| N2' | H2'2 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | O1 | 108.2° | 108.4° |
| CB | CA | C1 | 133.7° | 125.8° |
| CA | CB | CB' | 109.6° | 107.0° |
| CA | CB | HB | 123.3° | 126.5° |
| O1 | CA | C1 | 118.1° | 125.8° |
| CA | O1 | CA' | 106.4° | 109.3° |
| CA | C1 | C2 | 122.0° | 120.1° |
| CA | C1 | C6 | 120.0° | 120.0° |
| CB' | CB | HB | 127.0° | 126.5° |
| CB | CB' | CA' | 104.1° | 107.0° |
| CB | CB' | HB' | 130.1° | 126.6° |
| CA' | CB' | HB' | 125.8° | 126.5° |
| CB' | CA' | O1 | 111.7° | 108.4° |
| CB' | CA' | C1' | 133.0° | 125.8° |
| O1 | CA' | C1' | 115.3° | 125.8° |
| CA' | C1' | C2' | 115.7° | 120.1° |
| CA' | C1' | C6' | 124.3° | 120.0° |
| C2 | C1 | C6 | 117.8° | 119.9° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C1 | C2 | H2 | 119.1° | 119.9° |
| C1 | C6 | C5 | 122.6° | 120.0° |
| C1 | C6 | H6 | 117.8° | 120.0° |
| C3 | C2 | H2 | 120.4° | 120.1° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C4 | C3 | H3 | 119.1° | 120.1° |
| C3 | C4 | C5 | 117.2° | 120.1° |
| C3 | C4 | C7 | 123.6° | 120.0° |
| C5 | C4 | C7 | 119.2° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C4 | C7 | N1 | 123.3° | 120.0° |
| C4 | C7 | N2 | 123.4° | 120.0° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 119.6° | 120.0° |
| N1 | C7 | N2 | 113.3° | 120.0° |
| C7 | N1 | HN11 | 123.3° | 120.0° |
| C7 | N1 | HN12 | 107.3° | 120.0° |
| C7 | N2 | HN21 | 113.3° | 119.9° |
| C7 | N2 | HN22 | 123.4° | 120.0° |
| HN11 | N1 | HN12 | 107.3° | 120.0° |
| HN21 | N2 | HN22 | 123.3° | 120.0° |
| C2' | C1' | C6' | 119.9° | 120.0° |
| C1' | C2' | C3' | 121.4° | 120.0° |
| C1' | C2' | H2' | 119.8° | 120.0° |
| C1' | C6' | C5' | 118.8° | 120.0° |
| C1' | C6' | H6' | 119.7° | 120.0° |
| C3' | C2' | H2' | 118.8° | 120.0° |
| C2' | C3' | C4' | 120.4° | 120.0° |
| C2' | C3' | H3' | 119.5° | 119.9° |
| C4' | C3' | H3' | 120.2° | 120.0° |
| C3' | C4' | C5' | 118.8° | 120.0° |
| C3' | C4' | C7' | 117.1° | 120.0° |
| C5' | C4' | C7' | 124.0° | 120.0° |
| C4' | C5' | C6' | 120.7° | 120.0° |
| C4' | C5' | H5' | 119.5° | 120.0° |
| C4' | C7' | N1' | 120.4° | 120.0° |
| C4' | C7' | N2' | 121.5° | 120.0° |
| C6' | C5' | H5' | 119.8° | 120.0° |
| C5' | C6' | H6' | 121.5° | 120.0° |
| N1' | C7' | N2' | 118.0° | 120.0° |
| C7' | N1' | H1'1 | 120.4° | 120.0° |
| C7' | N1' | H1'2 | 108.3° | 120.0° |
| C7' | N2' | H2'1 | 118.0° | 120.0° |
| C7' | N2' | H2'2 | 121.6° | 120.0° |
| H1'1 | N1' | H1'2 | 108.3° | 120.0° |
| H2'1 | N2' | H2'2 | 120.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | O1 | C1 | 179.9° | 179.8° |
| CA | CB | CB' | HB | 180.0° | 179.6° |
| CA | CB | CB' | CA' | 0.2° | 0.4° |
| CA | CB | CB' | HB' | 179.7° | 179.9° |
| CB | CA | O1 | CA' | 0.4° | 0.2° |
| CB | CA | C1 | C2 | 168.5° | 140.3° |
| CB | CA | C1 | C6 | 8.0° | 39.7° |
| O1 | CA | CB | CB' | 0.1° | 0.4° |
| O1 | CA | CB | HB | 179.9° | 180.0° |
| CA | O1 | CA' | CB' | 0.5° | 0.1° |
| CA | O1 | CA' | C1' | 178.1° | 180.0° |
| O1 | CA | C1 | C2 | 11.4° | 40.0° |
| O1 | CA | C1 | C6 | 172.1° | 140.0° |
| C1 | CA | CB | CB' | 180.0° | 179.8° |
| C1 | CA | CB | HB | 0.0° | 0.2° |
| C1 | CA | O1 | CA' | 179.7° | 180.0° |
| CA | C1 | C2 | C6 | 176.6° | 180.0° |
| CA | C1 | C2 | C3 | 176.0° | 180.0° |
| CA | C1 | C2 | H2 | 4.0° | 0.0° |
| CA | C1 | C6 | C5 | 176.2° | 179.8° |
| CA | C1 | C6 | H6 | 3.7° | 0.0° |
| CB | CB' | CA' | HB' | 180.0° | 179.7° |
| CB | CB' | CA' | O1 | 0.4° | 0.3° |
| CB | CB' | CA' | C1' | 177.9° | 179.8° |
| HB | CB | CB' | CA' | 179.8° | 179.9° |
| HB | CB | CB' | HB' | 0.2° | 0.2° |
| CB' | CA' | O1 | C1' | 178.6° | 179.9° |
| CB' | CA' | C1' | C2' | 168.9° | 140.0° |
| CB' | CA' | C1' | C6' | 7.9° | 39.7° |
| HB' | CB' | CA' | O1 | 179.5° | 180.0° |
| HB' | CB' | CA' | C1' | 2.2° | 0.0° |
| O1 | CA' | C1' | C2' | 9.3° | 40.0° |
| O1 | CA' | C1' | C6' | 173.9° | 140.3° |
| CA' | C1' | C2' | C6' | 176.9° | 179.7° |
| CA' | C1' | C2' | C3' | 176.2° | 180.0° |
| CA' | C1' | C2' | H2' | 3.8° | 0.1° |
| CA' | C1' | C6' | C5' | 176.1° | 179.8° |
| CA' | C1' | C6' | H6' | 4.0° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.2° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.0° |
| C6 | C1 | C2 | H2 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.2° |
| C2 | C3 | C4 | C7 | 177.4° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | C5 | C7 | 178.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.8° | 0.5° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C3 | C4 | C7 | N1 | 23.7° | 30.0° |
| C3 | C4 | C7 | N2 | 157.3° | 149.9° |
| H3 | C3 | C4 | C5 | 179.5° | 179.8° |
| H3 | C3 | C4 | C7 | 2.6° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C4 | C7 | N1 | 154.2° | 149.8° |
| C5 | C4 | C7 | N2 | 24.8° | 30.3° |
| C7 | C4 | C5 | C6 | 177.3° | 179.8° |
| C7 | C4 | C5 | H5 | 2.7° | 0.3° |
| C4 | C7 | N1 | N2 | 179.1° | 179.9° |
| C4 | C7 | N1 | HN11 | 179.9° | 0.1° |
| C4 | C7 | N1 | HN12 | 54.7° | 180.0° |
| C4 | C7 | N2 | HN21 | 0.9° | 179.9° |
| C4 | C7 | N2 | HN22 | 179.9° | 0.2° |
| H5 | C5 | C6 | H6 | 0.3° | 0.3° |
| C7 | N1 | HN11 | HN12 | 125.2° | 179.9° |
| N1 | C7 | N2 | HN21 | 179.9° | 0.1° |
| N1 | C7 | N2 | HN22 | 0.9° | 179.7° |
| N2 | C7 | N1 | HN11 | 0.9° | 180.0° |
| N2 | C7 | N1 | HN12 | 124.3° | 0.1° |
| C7 | N2 | HN21 | HN22 | 179.2° | 179.8° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 0.3° | 0.0° |
| C1' | C2' | C3' | H3' | 179.8° | 180.0° |
| C2' | C1' | C6' | C5' | 0.6° | 0.5° |
| C2' | C1' | C6' | H6' | 179.4° | 180.0° |
| C6' | C1' | C2' | C3' | 0.8° | 0.3° |
| C6' | C1' | C2' | H2' | 179.2° | 179.8° |
| C1' | C6' | C5' | C4' | 0.0° | 0.5° |
| C1' | C6' | C5' | H6' | 179.9° | 179.5° |
| C1' | C6' | C5' | H5' | 179.9° | 179.8° |
| C2' | C3' | C4' | H3' | 179.9° | 180.0° |
| C2' | C3' | C4' | C5' | 0.4° | 0.0° |
| C2' | C3' | C4' | C7' | 177.9° | 180.0° |
| H2' | C2' | C3' | C4' | 179.7° | 179.9° |
| H2' | C2' | C3' | H3' | 0.2° | 0.1° |
| C3' | C4' | C5' | C7' | 178.2° | 180.0° |
| C3' | C4' | C5' | C6' | 0.5° | 0.3° |
| C3' | C4' | C5' | H5' | 179.5° | 180.0° |
| C3' | C4' | C7' | N1' | 19.4° | 150.0° |
| C3' | C4' | C7' | N2' | 162.0° | 30.0° |
| H3' | C3' | C4' | C5' | 179.6° | 180.0° |
| H3' | C3' | C4' | C7' | 2.1° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.7° |
| C4' | C5' | C6' | H6' | 180.0° | 180.0° |
| C5' | C4' | C7' | N1' | 158.9° | 30.0° |
| C5' | C4' | C7' | N2' | 19.8° | 150.0° |
| C7' | C4' | C5' | C6' | 177.7° | 179.7° |
| C7' | C4' | C5' | H5' | 2.4° | 0.1° |
| C4' | C7' | N1' | N2' | 178.7° | 180.0° |
| C4' | C7' | N1' | H1'1 | 180.0° | 0.0° |
| C4' | C7' | N1' | H1'2 | 54.7° | 180.0° |
| C4' | C7' | N2' | H2'1 | 1.4° | 180.0° |
| C4' | C7' | N2' | H2'2 | 180.0° | 0.0° |
| H5' | C5' | C6' | H6' | 0.0° | 0.3° |
| C7' | N1' | H1'1 | H1'2 | 125.2° | 179.9° |
| N1' | C7' | N2' | H2'1 | 179.9° | 0.0° |
| N1' | C7' | N2' | H2'2 | 1.4° | 180.0° |
| N2' | C7' | N1' | H1'1 | 1.4° | 180.0° |
| N2' | C7' | N1' | H1'2 | 123.9° | 0.0° |
| C7' | N2' | H2'1 | H2'2 | 178.6° | 179.9° |
