ELP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.39Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.47Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.36Å | |
| C2 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.51Å | |
| N1 | C6 | doub | 1.32Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.45Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C4 | C4A | sing | 1.47Å | 1.53Å | |
| C4 | C5 | doub | 1.40Å | 1.45Å | Aromatic |
| C4A | N2 | doub | 1.29Å | 1.26Å | |
| C4A | H4A | sing | 1.08Å | 1.10Å | |
| N2 | C | sing | 1.46Å | 1.43Å | |
| C | CA1 | sing | 1.53Å | 1.56Å | |
| C | CA2 | sing | 1.51Å | 1.44Å | |
| C | P2 | sing | 1.82Å | 1.74Å | |
| CA1 | HA11 | sing | 1.09Å | 1.12Å | |
| CA1 | HA12 | sing | 1.09Å | 1.11Å | |
| CA1 | HA13 | sing | 1.09Å | 1.12Å | |
| CA2 | CB2 | doub | 1.38Å | 1.44Å | Aromatic |
| CA2 | CB1 | sing | 1.38Å | 1.44Å | Aromatic |
| P2 | O6 | doub | 1.48Å | 1.53Å | |
| P2 | O7 | sing | 1.61Å | 1.51Å | |
| P2 | O8 | sing | 1.61Å | 1.48Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2A | H2A1 | sing | 1.09Å | 1.12Å | |
| C2A | H2A2 | sing | 1.09Å | 1.12Å | |
| C2A | H2A3 | sing | 1.09Å | 1.11Å | |
| C5 | C5A | sing | 1.51Å | 1.49Å | |
| C5A | O2 | sing | 1.43Å | 1.43Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.12Å | |
| O2 | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O3 | doub | 1.48Å | 1.46Å | |
| P1 | O4 | sing | 1.61Å | 1.44Å | |
| P1 | O5 | sing | 1.61Å | 1.45Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| CB2 | CG2 | sing | 1.38Å | 1.42Å | Aromatic |
| CB2 | HB2 | sing | 1.08Å | 1.10Å | |
| CG2 | CD | doub | 1.38Å | 1.46Å | Aromatic |
| CG2 | HG2 | sing | 1.08Å | 1.10Å | |
| CD | CG1 | sing | 1.38Å | 1.47Å | Aromatic |
| CD | HCD | sing | 1.08Å | 1.10Å | |
| CG1 | CB1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG1 | HG1 | sing | 1.08Å | 1.10Å | |
| CB1 | HB1 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 120.6° | 118.9° |
| C2 | C3 | O1 | 116.9° | 120.5° |
| C3 | C2 | N1 | 120.7° | 120.8° |
| C3 | C2 | C2A | 118.6° | 119.6° |
| C4 | C3 | O1 | 122.4° | 120.6° |
| C3 | C4 | C4A | 121.7° | 121.0° |
| C3 | C4 | C5 | 116.7° | 118.1° |
| C3 | O1 | HO1 | 116.9° | 106.8° |
| N1 | C2 | C2A | 120.7° | 119.6° |
| C2 | N1 | C6 | 120.3° | 122.2° |
| C2 | C2A | H2A1 | 109.0° | 109.4° |
| C2 | C2A | H2A2 | 118.6° | 109.5° |
| C2 | C2A | H2A3 | 108.9° | 109.5° |
| N1 | C6 | C5 | 121.7° | 121.0° |
| N1 | C6 | HC6 | 116.6° | 119.5° |
| C5 | C6 | HC6 | 121.6° | 119.5° |
| C6 | C5 | C4 | 119.9° | 119.1° |
| C6 | C5 | C5A | 120.1° | 120.4° |
| C4A | C4 | C5 | 121.6° | 120.9° |
| C4 | C4A | N2 | 120.2° | 120.0° |
| C4 | C4A | H4A | 129.7° | 120.1° |
| C4 | C5 | C5A | 119.9° | 120.5° |
| N2 | C4A | H4A | 110.1° | 120.0° |
| C4A | N2 | C | 128.0° | 120.0° |
| N2 | C | CA1 | 110.1° | 109.5° |
| N2 | C | CA2 | 91.4° | 109.5° |
| N2 | C | P2 | 113.5° | 109.5° |
| CA1 | C | CA2 | 116.0° | 109.5° |
| CA1 | C | P2 | 116.0° | 109.5° |
| C | CA1 | HA11 | 112.0° | 109.5° |
| C | CA1 | HA12 | 110.1° | 109.5° |
| C | CA1 | HA13 | 112.0° | 109.4° |
| CA2 | C | P2 | 107.4° | 109.5° |
| C | CA2 | CB2 | 118.2° | 120.0° |
| C | CA2 | CB1 | 119.0° | 120.0° |
| C | P2 | O6 | 108.2° | 109.5° |
| C | P2 | O7 | 112.9° | 109.5° |
| C | P2 | O8 | 110.8° | 109.5° |
| HA11 | CA1 | HA12 | 112.0° | 109.5° |
| HA11 | CA1 | HA13 | 98.5° | 109.5° |
| HA12 | CA1 | HA13 | 112.0° | 109.5° |
| CB2 | CA2 | CB1 | 122.8° | 120.0° |
| CA2 | CB2 | CG2 | 118.9° | 120.0° |
| CA2 | CB2 | HB2 | 120.9° | 120.0° |
| CA2 | CB1 | CG1 | 119.3° | 120.0° |
| CA2 | CB1 | HB1 | 122.0° | 120.0° |
| O6 | P2 | O7 | 108.1° | 109.4° |
| O6 | P2 | O8 | 110.4° | 109.5° |
| O7 | P2 | O8 | 106.4° | 109.5° |
| P2 | O7 | HO7 | 112.9° | 106.8° |
| P2 | O8 | HO8 | 110.8° | 106.8° |
| H2A1 | C2A | H2A2 | 108.9° | 109.4° |
| H2A1 | C2A | H2A3 | 101.1° | 109.5° |
| H2A2 | C2A | H2A3 | 108.9° | 109.6° |
| C5 | C5A | O2 | 112.1° | 109.5° |
| C5 | C5A | H5A1 | 111.2° | 109.5° |
| C5 | C5A | H5A2 | 111.3° | 109.5° |
| O2 | C5A | H5A1 | 111.3° | 109.4° |
| O2 | C5A | H5A2 | 111.2° | 109.5° |
| C5A | O2 | P1 | 107.4° | 106.8° |
| H5A1 | C5A | H5A2 | 99.1° | 109.4° |
| O2 | P1 | O3 | 106.6° | 109.5° |
| O2 | P1 | O4 | 113.4° | 109.5° |
| O2 | P1 | O5 | 107.2° | 109.5° |
| O3 | P1 | O4 | 108.1° | 109.5° |
| O3 | P1 | O5 | 105.1° | 109.5° |
| O4 | P1 | O5 | 115.8° | 109.4° |
| P1 | O4 | HO4 | 113.4° | 106.8° |
| P1 | O5 | HO5 | 107.2° | 106.9° |
| CG2 | CB2 | HB2 | 120.2° | 120.0° |
| CB2 | CG2 | CD | 118.9° | 120.0° |
| CB2 | CG2 | HG2 | 119.4° | 120.0° |
| CD | CG2 | HG2 | 121.7° | 120.0° |
| CG2 | CD | CG1 | 120.9° | 120.0° |
| CG2 | CD | HCD | 119.0° | 120.0° |
| CG1 | CD | HCD | 120.1° | 120.0° |
| CD | CG1 | CB1 | 119.2° | 120.0° |
| CD | CG1 | HG1 | 123.0° | 120.0° |
| CB1 | CG1 | HG1 | 117.7° | 120.0° |
| CG1 | CB1 | HB1 | 118.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | O1 | 178.3° | 179.4° |
| C3 | C2 | N1 | C2A | 179.8° | 179.7° |
| C3 | C2 | N1 | C6 | 1.8° | 0.3° |
| C2 | C3 | C4 | C4A | 177.8° | 179.7° |
| C2 | C3 | C4 | C5 | 1.0° | 0.6° |
| C2 | C3 | O1 | HO1 | 180.0° | 90.6° |
| C3 | C2 | C2A | H2A1 | 54.7° | 90.3° |
| C3 | C2 | C2A | H2A2 | 180.0° | 29.6° |
| C3 | C2 | C2A | H2A3 | 54.7° | 149.8° |
| C4 | C3 | C2 | N1 | 0.2° | 0.6° |
| C4 | C3 | C2 | C2A | 179.6° | 179.7° |
| C3 | C4 | C5 | C6 | 0.8° | 0.3° |
| C3 | C4 | C4A | C5 | 178.8° | 179.7° |
| C3 | C4 | C4A | N2 | 62.3° | 0.3° |
| C3 | C4 | C4A | H4A | 117.7° | 179.7° |
| C4 | C3 | O1 | HO1 | 1.7° | 90.0° |
| C3 | C4 | C5 | C5A | 174.4° | 179.7° |
| O1 | C3 | C2 | N1 | 178.6° | 180.0° |
| O1 | C3 | C2 | C2A | 1.2° | 0.3° |
| O1 | C3 | C4 | C4A | 3.9° | 0.3° |
| O1 | C3 | C4 | C5 | 177.3° | 180.0° |
| C2 | N1 | C6 | C5 | 2.0° | 0.1° |
| C2 | N1 | C6 | HC6 | 178.0° | 180.0° |
| N1 | C2 | C2A | H2A1 | 125.1° | 90.0° |
| N1 | C2 | C2A | H2A2 | 0.2° | 150.0° |
| N1 | C2 | C2A | H2A3 | 125.5° | 29.9° |
| C2A | C2 | N1 | C6 | 178.0° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 130.7° | 119.9° |
| C2 | C2A | H2A1 | H2A3 | 114.6° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 125.3° | 120.1° |
| N1 | C6 | C5 | HC6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.1° |
| N1 | C6 | C5 | C5A | 175.9° | 180.0° |
| C6 | C5 | C4 | C4A | 178.0° | 180.0° |
| C6 | C5 | C4 | C5A | 175.2° | 180.0° |
| C6 | C5 | C5A | O2 | 87.6° | 0.0° |
| C6 | C5 | C5A | H5A1 | 147.1° | 120.0° |
| C6 | C5 | C5A | H5A2 | 37.6° | 120.1° |
| HC6 | C6 | C5 | C4 | 179.3° | 180.0° |
| HC6 | C6 | C5 | C5A | 4.1° | 0.0° |
| C4 | C4A | N2 | H4A | 180.0° | 180.0° |
| C4 | C4A | N2 | C | 164.4° | 180.0° |
| C4A | C4 | C5 | C5A | 6.8° | 0.0° |
| C5 | C4 | C4A | N2 | 118.9° | 180.0° |
| C5 | C4 | C4A | H4A | 61.1° | 0.0° |
| C4 | C5 | C5A | O2 | 97.2° | 180.0° |
| C4 | C5 | C5A | H5A1 | 28.1° | 60.0° |
| C4 | C5 | C5A | H5A2 | 137.5° | 60.0° |
| C4A | N2 | C | CA1 | 52.5° | 60.0° |
| C4A | N2 | C | CA2 | 170.9° | 180.0° |
| C4A | N2 | C | P2 | 79.4° | 60.0° |
| H4A | C4A | N2 | C | 15.6° | 0.0° |
| N2 | C | CA1 | CA2 | 102.0° | 120.0° |
| N2 | C | CA1 | P2 | 130.6° | 120.0° |
| N2 | C | CA2 | P2 | 115.1° | 120.0° |
| N2 | C | CA1 | HA11 | 54.7° | 60.0° |
| N2 | C | CA1 | HA12 | 180.0° | 180.0° |
| N2 | C | CA1 | HA13 | 54.7° | 60.0° |
| N2 | C | CA2 | CB2 | 111.9° | 156.7° |
| N2 | C | CA2 | CB1 | 68.4° | 23.0° |
| N2 | C | P2 | O6 | 156.5° | 56.8° |
| N2 | C | P2 | O7 | 36.9° | 176.7° |
| N2 | C | P2 | O8 | 82.3° | 63.3° |
| CA1 | C | CA2 | P2 | 131.6° | 120.0° |
| C | CA1 | HA11 | HA12 | 124.2° | 120.0° |
| C | CA1 | HA11 | HA13 | 117.9° | 120.0° |
| C | CA1 | HA12 | HA13 | 125.2° | 120.0° |
| CA1 | C | CA2 | CB2 | 1.4° | 36.7° |
| CA1 | C | CA2 | CB1 | 178.4° | 143.0° |
| CA1 | C | P2 | O6 | 74.5° | 63.2° |
| CA1 | C | P2 | O7 | 165.9° | 56.8° |
| CA1 | C | P2 | O8 | 46.7° | 176.8° |
| CA2 | C | CA1 | HA11 | 47.2° | 60.0° |
| CA2 | C | CA1 | HA12 | 78.1° | 60.0° |
| CA2 | C | CA1 | HA13 | 156.7° | 180.0° |
| C | CA2 | CB2 | CB1 | 179.7° | 179.7° |
| CA2 | C | P2 | O6 | 57.1° | 176.8° |
| CA2 | C | P2 | O7 | 62.4° | 63.2° |
| CA2 | C | P2 | O8 | 178.3° | 56.8° |
| C | CA2 | CB2 | CG2 | 179.0° | 180.0° |
| C | CA2 | CB2 | HB2 | 1.0° | 0.0° |
| C | CA2 | CB1 | CG1 | 179.1° | 179.8° |
| C | CA2 | CB1 | HB1 | 0.9° | 0.2° |
| P2 | C | CA1 | HA11 | 174.7° | 180.0° |
| P2 | C | CA1 | HA12 | 49.4° | 60.0° |
| P2 | C | CA1 | HA13 | 75.8° | 60.0° |
| P2 | C | CA2 | CB2 | 133.0° | 83.3° |
| P2 | C | CA2 | CB1 | 46.8° | 97.0° |
| C | P2 | O6 | O7 | 122.6° | 120.0° |
| C | P2 | O6 | O8 | 121.4° | 120.0° |
| C | P2 | O7 | O8 | 121.7° | 120.0° |
| C | P2 | O7 | HO7 | 180.0° | 180.0° |
| C | P2 | O8 | HO8 | 180.0° | 60.0° |
| HA11 | CA1 | HA12 | HA13 | 109.5° | 120.0° |
| CA2 | CB2 | CG2 | HB2 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD | 0.4° | 0.0° |
| CA2 | CB2 | CG2 | HG2 | 179.7° | 180.0° |
| CB2 | CA2 | CB1 | CG1 | 0.6° | 0.5° |
| CB2 | CA2 | CB1 | HB1 | 179.4° | 180.0° |
| CB1 | CA2 | CB2 | CG2 | 0.8° | 0.3° |
| CB1 | CA2 | CB2 | HB2 | 179.2° | 179.7° |
| CA2 | CB1 | CG1 | CD | 0.1° | 0.4° |
| CA2 | CB1 | CG1 | HB1 | 180.0° | 179.6° |
| CA2 | CB1 | CG1 | HG1 | 179.9° | 179.7° |
| O6 | P2 | O7 | O8 | 118.6° | 120.0° |
| O6 | P2 | O7 | HO7 | 60.3° | 60.0° |
| O6 | P2 | O8 | HO8 | 60.1° | 180.0° |
| O7 | P2 | O8 | HO8 | 57.0° | 60.0° |
| O8 | P2 | O7 | HO7 | 58.3° | 60.0° |
| H2A1 | C2A | H2A2 | H2A3 | 109.4° | 120.0° |
| C5 | C5A | O2 | H5A1 | 125.3° | 120.0° |
| C5 | C5A | O2 | H5A2 | 125.3° | 120.1° |
| C5 | C5A | H5A1 | H5A2 | 117.1° | 120.0° |
| C5 | C5A | O2 | P1 | 172.4° | 180.0° |
| O2 | C5A | H5A1 | H5A2 | 117.1° | 119.9° |
| C5A | O2 | P1 | O3 | 163.2° | 60.0° |
| C5A | O2 | P1 | O4 | 78.0° | 180.0° |
| C5A | O2 | P1 | O5 | 51.1° | 60.0° |
| H5A1 | C5A | O2 | P1 | 47.2° | 60.0° |
| H5A2 | C5A | O2 | P1 | 62.3° | 59.9° |
| O2 | P1 | O3 | O4 | 122.3° | 120.0° |
| O2 | P1 | O3 | O5 | 113.6° | 120.0° |
| O2 | P1 | O4 | O5 | 124.6° | 120.0° |
| O2 | P1 | O4 | HO4 | 180.0° | 180.0° |
| O2 | P1 | O5 | HO5 | 180.0° | 60.0° |
| O3 | P1 | O4 | O5 | 117.5° | 120.0° |
| O3 | P1 | O4 | HO4 | 62.0° | 59.9° |
| O3 | P1 | O5 | HO5 | 66.8° | 180.0° |
| O4 | P1 | O5 | HO5 | 52.3° | 60.0° |
| O5 | P1 | O4 | HO4 | 55.4° | 60.0° |
| CB2 | CG2 | CD | HG2 | 180.0° | 180.0° |
| CB2 | CG2 | CD | CG1 | 0.1° | 0.1° |
| CB2 | CG2 | CD | HCD | 179.9° | 180.0° |
| HB2 | CB2 | CG2 | CD | 179.6° | 180.0° |
| HB2 | CB2 | CG2 | HG2 | 0.3° | 0.0° |
| CG2 | CD | CG1 | HCD | 180.0° | 179.9° |
| CG2 | CD | CG1 | CB1 | 0.2° | 0.1° |
| CG2 | CD | CG1 | HG1 | 179.8° | 179.9° |
| HG2 | CG2 | CD | CG1 | 179.9° | 179.9° |
| HG2 | CG2 | CD | HCD | 0.1° | 0.0° |
| CD | CG1 | CB1 | HG1 | 180.0° | 180.0° |
| CD | CG1 | CB1 | HB1 | 179.9° | 179.9° |
| HCD | CD | CG1 | CB1 | 179.8° | 179.9° |
| HCD | CD | CG1 | HG1 | 0.2° | 0.1° |
| HG1 | CG1 | CB1 | HB1 | 0.1° | 0.1° |
