0P2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | O2 | sing | 1.35Å | 1.38Å | |
| O2 | C2 | sing | 1.45Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| N | CA | sing | 1.47Å | 1.43Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| N1 | CA1 | sing | 1.47Å | 1.48Å | |
| N1 | HN2 | sing | 0.97Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.50Å | |
| CA1 | B | sing | 1.57Å | 1.71Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.58Å | |
| CB1 | CG2 | sing | 1.53Å | 1.51Å | |
| CB1 | HB | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.54Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| B | O11 | sing | 1.42Å | 1.36Å | |
| B | O21 | sing | 1.42Å | 1.50Å | |
| O11 | HO1 | sing | 0.97Å | 0.95Å | |
| O21 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C | N1 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 126.0° | 120.0° |
| O1 | C1 | N | 124.9° | 120.1° |
| C1 | O2 | C2 | 120.3° | 117.0° |
| O2 | C1 | N | 108.7° | 119.9° |
| O2 | C2 | C3 | 106.8° | 109.5° |
| O2 | C2 | H21 | 110.3° | 109.5° |
| O2 | C2 | H22 | 110.3° | 109.5° |
| C3 | C2 | H21 | 110.4° | 109.4° |
| C3 | C2 | H22 | 110.4° | 109.5° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | C8 | 119.3° | 120.0° |
| H21 | C2 | H22 | 108.6° | 109.5° |
| C4 | C3 | C8 | 120.1° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H41 | 120.2° | 120.0° |
| C3 | C8 | C7 | 119.9° | 120.0° |
| C3 | C8 | H81 | 120.0° | 120.0° |
| C5 | C4 | H41 | 120.1° | 119.9° |
| C4 | C5 | C6 | 120.9° | 120.0° |
| C4 | C5 | H51 | 119.6° | 120.1° |
| C6 | C5 | H51 | 119.6° | 119.9° |
| C5 | C6 | C7 | 119.0° | 120.0° |
| C5 | C6 | H61 | 120.5° | 120.0° |
| C7 | C6 | H61 | 120.5° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C6 | C7 | H71 | 119.8° | 120.0° |
| C8 | C7 | H71 | 119.8° | 120.0° |
| C7 | C8 | H81 | 120.0° | 120.0° |
| CA | N | H | 116.5° | 120.0° |
| N | CA | C | 110.6° | 109.4° |
| N | CA | CB | 108.8° | 109.4° |
| N | CA | HA | 109.1° | 109.5° |
| CA | N | C1 | 126.9° | 119.9° |
| H | N | C1 | 116.6° | 120.1° |
| C | CA | CB | 109.1° | 109.5° |
| C | CA | HA | 108.8° | 109.5° |
| CA | C | O | 120.6° | 120.0° |
| CA | C | N1 | 112.7° | 119.9° |
| CB | CA | HA | 110.5° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.4° |
| CA | CB | HB3 | 109.5° | 109.5° |
| O | C | N1 | 126.5° | 120.0° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| HB1 | CB | HB3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| CA1 | N1 | HN2 | 119.2° | 120.0° |
| N1 | CA1 | CB1 | 113.4° | 109.5° |
| N1 | CA1 | B | 114.4° | 109.5° |
| N1 | CA1 | HA1 | 103.0° | 109.4° |
| CA1 | N1 | C | 121.6° | 120.0° |
| HN2 | N1 | C | 119.2° | 120.1° |
| CB1 | CA1 | B | 109.4° | 109.5° |
| CB1 | CA1 | HA1 | 108.7° | 109.5° |
| CA1 | CB1 | CG1 | 115.2° | 109.4° |
| CA1 | CB1 | CG2 | 107.4° | 109.5° |
| CA1 | CB1 | HB | 107.9° | 109.5° |
| B | CA1 | HA1 | 107.6° | 109.5° |
| CA1 | B | O11 | 120.1° | 120.0° |
| CA1 | B | O21 | 114.1° | 120.0° |
| CG1 | CB1 | CG2 | 112.0° | 109.4° |
| CG1 | CB1 | HB | 102.9° | 109.5° |
| CB1 | CG1 | CD1 | 113.5° | 109.5° |
| CB1 | CG1 | HG11 | 108.2° | 109.4° |
| CB1 | CG1 | HG12 | 108.2° | 109.5° |
| CG2 | CB1 | HB | 111.3° | 109.5° |
| CB1 | CG2 | HG21 | 109.5° | 109.5° |
| CB1 | CG2 | HG22 | 109.5° | 109.5° |
| CB1 | CG2 | HG23 | 109.5° | 109.4° |
| CD1 | CG1 | HG11 | 108.2° | 109.5° |
| CD1 | CG1 | HG12 | 108.2° | 109.5° |
| CG1 | CD1 | HD11 | 109.5° | 109.5° |
| CG1 | CD1 | HD12 | 109.5° | 109.5° |
| CG1 | CD1 | HD13 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 110.7° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.4° | 109.4° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
| HD11 | CD1 | HD13 | 109.5° | 109.4° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| O11 | B | O21 | 124.4° | 120.1° |
| B | O11 | HO1 | 109.5° | 114.0° |
| B | O21 | HO2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N | 173.2° | 179.7° |
| O1 | C1 | O2 | C2 | 4.3° | 0.0° |
| O1 | C1 | N | CA | 1.4° | 0.0° |
| O1 | C1 | N | H | 178.6° | 180.0° |
| C1 | O2 | C2 | C3 | 119.4° | 180.0° |
| C1 | O2 | C2 | H21 | 0.6° | 60.0° |
| C1 | O2 | C2 | H22 | 120.6° | 60.0° |
| O2 | C1 | N | CA | 174.7° | 179.7° |
| O2 | C1 | N | H | 5.3° | 0.3° |
| O2 | C2 | C3 | H21 | 120.0° | 120.0° |
| O2 | C2 | C3 | H22 | 120.0° | 120.1° |
| O2 | C2 | H21 | H22 | 121.0° | 120.1° |
| O2 | C2 | C3 | C4 | 118.3° | 90.0° |
| O2 | C2 | C3 | C8 | 55.0° | 90.3° |
| C2 | O2 | C1 | N | 168.9° | 179.7° |
| C3 | C2 | H21 | H22 | 121.1° | 119.9° |
| C2 | C3 | C4 | C8 | 173.2° | 179.7° |
| C2 | C3 | C4 | C5 | 172.3° | 180.0° |
| C2 | C3 | C4 | H41 | 7.7° | 0.0° |
| C2 | C3 | C8 | C7 | 171.2° | 179.8° |
| C2 | C3 | C8 | H81 | 8.8° | 0.0° |
| H21 | C2 | C3 | C4 | 1.7° | 30.0° |
| H21 | C2 | C3 | C8 | 174.9° | 149.7° |
| H22 | C2 | C3 | C4 | 121.7° | 149.9° |
| H22 | C2 | C3 | C8 | 65.1° | 29.8° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.9° | 0.1° |
| C3 | C4 | C5 | H51 | 178.1° | 179.9° |
| C4 | C3 | C8 | C7 | 2.1° | 0.5° |
| C4 | C3 | C8 | H81 | 177.9° | 179.8° |
| C8 | C3 | C4 | C5 | 0.9° | 0.3° |
| C8 | C3 | C4 | H41 | 179.0° | 179.7° |
| C3 | C8 | C7 | C6 | 0.4° | 0.4° |
| C3 | C8 | C7 | H81 | 180.0° | 179.7° |
| C3 | C8 | C7 | H71 | 179.6° | 179.7° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 3.6° | 0.0° |
| C4 | C5 | C6 | H61 | 176.5° | 180.0° |
| H41 | C4 | C5 | C6 | 178.1° | 180.0° |
| H41 | C4 | C5 | H51 | 1.9° | 0.0° |
| C5 | C6 | C7 | H61 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 2.4° | 0.2° |
| C5 | C6 | C7 | H71 | 177.6° | 179.9° |
| H51 | C5 | C6 | C7 | 176.4° | 180.0° |
| H51 | C5 | C6 | H61 | 3.6° | 0.1° |
| C6 | C7 | C8 | H71 | 180.0° | 179.9° |
| C6 | C7 | C8 | H81 | 179.6° | 179.8° |
| H61 | C6 | C7 | C8 | 177.6° | 179.9° |
| H61 | C6 | C7 | H71 | 2.4° | 0.0° |
| H71 | C7 | C8 | H81 | 0.4° | 0.0° |
| CA | N | H | C1 | 180.0° | 180.0° |
| N | CA | C | CB | 119.6° | 119.9° |
| N | CA | C | HA | 119.7° | 120.0° |
| N | CA | CB | HA | 119.7° | 120.0° |
| N | CA | C | O | 40.3° | 0.0° |
| N | CA | CB | HB1 | 180.0° | 60.0° |
| N | CA | CB | HB2 | 60.0° | 180.0° |
| N | CA | CB | HB3 | 60.0° | 60.1° |
| N | CA | C | N1 | 135.1° | 180.0° |
| H | N | CA | C | 116.3° | 25.0° |
| H | N | CA | CB | 3.5° | 95.0° |
| H | N | CA | HA | 124.1° | 145.0° |
| C | CA | CB | HA | 119.6° | 120.1° |
| CA | C | O | N1 | 174.7° | 180.0° |
| C | CA | CB | HB1 | 59.3° | 59.9° |
| C | CA | CB | HB2 | 179.3° | 60.1° |
| C | CA | CB | HB3 | 60.7° | 180.0° |
| CA | C | N1 | CA1 | 179.1° | 180.0° |
| CA | C | N1 | HN2 | 0.9° | 0.0° |
| C | CA | N | C1 | 63.7° | 155.0° |
| CB | CA | C | O | 79.3° | 119.9° |
| CA | CB | HB1 | HB2 | 120.0° | 119.9° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.0° | 119.9° |
| CB | CA | N | C1 | 176.5° | 85.0° |
| CB | CA | C | N1 | 105.3° | 60.0° |
| HA | CA | C | O | 160.0° | 120.0° |
| HA | CA | CB | HB1 | 60.3° | 180.0° |
| HA | CA | CB | HB2 | 59.7° | 60.0° |
| HA | CA | CB | HB3 | 179.7° | 59.9° |
| HA | CA | N | C1 | 55.9° | 35.0° |
| HA | CA | C | N1 | 15.3° | 60.0° |
| O | C | N1 | CA1 | 4.1° | 0.0° |
| O | C | N1 | HN2 | 175.9° | 180.0° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.1° |
| CA1 | N1 | HN2 | C | 180.0° | 180.0° |
| N1 | CA1 | CB1 | B | 129.0° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 113.9° | 120.0° |
| N1 | CA1 | B | HA1 | 113.7° | 120.0° |
| N1 | CA1 | CB1 | CG1 | 53.7° | 180.0° |
| N1 | CA1 | CB1 | CG2 | 71.9° | 60.0° |
| N1 | CA1 | CB1 | HB | 168.0° | 60.0° |
| N1 | CA1 | B | O11 | 104.9° | 150.0° |
| N1 | CA1 | B | O21 | 88.2° | 30.0° |
| HN2 | N1 | CA1 | CB1 | 62.0° | 45.0° |
| HN2 | N1 | CA1 | B | 64.4° | 75.0° |
| HN2 | N1 | CA1 | HA1 | 179.2° | 165.0° |
| CB1 | CA1 | B | HA1 | 117.8° | 120.0° |
| CA1 | CB1 | CG1 | CG2 | 123.2° | 120.0° |
| CA1 | CB1 | CG1 | HB | 117.1° | 120.0° |
| CA1 | CB1 | CG2 | HB | 117.9° | 120.1° |
| CA1 | CB1 | CG1 | CD1 | 151.6° | 175.0° |
| CA1 | CB1 | CG1 | HG11 | 88.4° | 65.0° |
| CA1 | CB1 | CG1 | HG12 | 31.6° | 55.0° |
| CA1 | CB1 | CG2 | HG21 | 180.0° | 59.9° |
| CA1 | CB1 | CG2 | HG22 | 60.0° | 180.0° |
| CA1 | CB1 | CG2 | HG23 | 60.0° | 60.0° |
| CB1 | CA1 | B | O11 | 126.6° | 90.0° |
| CB1 | CA1 | B | O21 | 40.2° | 90.0° |
| CB1 | CA1 | N1 | C | 118.0° | 135.0° |
| B | CA1 | CB1 | CG1 | 75.3° | 60.0° |
| B | CA1 | CB1 | CG2 | 159.1° | 60.0° |
| B | CA1 | CB1 | HB | 39.0° | 180.0° |
| CA1 | B | O11 | O21 | 165.4° | 180.0° |
| CA1 | B | O11 | HO1 | 180.0° | 0.0° |
| CA1 | B | O21 | HO2 | 180.0° | 0.0° |
| B | CA1 | N1 | C | 115.6° | 105.0° |
| HA1 | CA1 | CB1 | CG1 | 167.6° | 60.0° |
| HA1 | CA1 | CB1 | CG2 | 42.0° | 180.0° |
| HA1 | CA1 | CB1 | HB | 78.1° | 60.0° |
| HA1 | CA1 | B | O11 | 8.8° | 30.1° |
| HA1 | CA1 | B | O21 | 158.1° | 150.0° |
| HA1 | CA1 | N1 | C | 0.8° | 15.0° |
| CG1 | CB1 | CG2 | HB | 114.6° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 120.0° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 120.0° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 118.4° | 120.0° |
| CG1 | CB1 | CG2 | HG21 | 52.6° | 60.1° |
| CG1 | CB1 | CG2 | HG22 | 172.6° | 60.0° |
| CG1 | CB1 | CG2 | HG23 | 67.4° | 180.0° |
| CB1 | CG1 | CD1 | HD11 | 180.0° | 60.0° |
| CB1 | CG1 | CD1 | HD12 | 60.0° | 60.0° |
| CB1 | CG1 | CD1 | HD13 | 60.0° | 180.0° |
| CG2 | CB1 | CG1 | CD1 | 85.2° | 65.0° |
| CG2 | CB1 | CG1 | HG11 | 34.8° | 55.0° |
| CG2 | CB1 | CG1 | HG12 | 154.8° | 175.0° |
| CB1 | CG2 | HG21 | HG22 | 120.0° | 120.1° |
| CB1 | CG2 | HG21 | HG23 | 120.0° | 119.9° |
| CB1 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HB | CB1 | CG1 | CD1 | 34.4° | 55.0° |
| HB | CB1 | CG1 | HG11 | 154.5° | 175.0° |
| HB | CB1 | CG1 | HG12 | 85.6° | 65.0° |
| HB | CB1 | CG2 | HG21 | 62.1° | 180.0° |
| HB | CB1 | CG2 | HG22 | 57.9° | 59.9° |
| HB | CB1 | CG2 | HG23 | 177.9° | 60.0° |
| CD1 | CG1 | HG11 | HG12 | 118.4° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG1 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HG11 | CG1 | CD1 | HD11 | 60.0° | 180.0° |
| HG11 | CG1 | CD1 | HD12 | 180.0° | 59.9° |
| HG11 | CG1 | CD1 | HD13 | 60.0° | 60.1° |
| HG12 | CG1 | CD1 | HD11 | 60.0° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 60.0° | 180.0° |
| HG12 | CG1 | CD1 | HD13 | 180.0° | 60.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| O11 | B | O21 | HO2 | 13.8° | 180.0° |
| O21 | B | O11 | HO1 | 14.6° | 180.0° |
