6A0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.22Å | |
| O1 | N1 | sing | 1.42Å | 1.36Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C6 | CA | sing | 1.53Å | 1.55Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | N1 | 119.5° | 120.0° |
| O2 | C1 | C2 | 119.8° | 120.1° |
| O1 | N1 | C1 | 114.2° | 120.0° |
| O1 | N1 | H16 | 122.9° | 120.0° |
| N1 | O1 | H17 | 109.5° | 114.0° |
| N1 | C1 | C2 | 115.2° | 120.0° |
| C1 | N1 | H16 | 122.9° | 120.0° |
| C1 | C2 | C3 | 113.1° | 109.4° |
| C1 | C2 | H14 | 108.5° | 109.4° |
| C1 | C2 | H15 | 108.6° | 109.5° |
| C3 | C4 | C5 | 112.6° | 109.5° |
| C4 | C3 | C2 | 111.4° | 109.4° |
| C3 | C4 | H10 | 108.7° | 109.5° |
| C3 | C4 | H11 | 108.7° | 109.5° |
| C4 | C3 | H12 | 109.0° | 109.4° |
| C4 | C3 | H13 | 109.0° | 109.5° |
| C4 | C5 | C6 | 109.1° | 109.5° |
| C4 | C5 | H8 | 109.6° | 109.5° |
| C4 | C5 | H9 | 109.6° | 109.5° |
| C5 | C4 | H10 | 108.7° | 109.4° |
| C5 | C4 | H11 | 108.7° | 109.5° |
| C2 | C3 | H12 | 109.0° | 109.5° |
| C2 | C3 | H13 | 109.0° | 109.5° |
| C3 | C2 | H14 | 108.6° | 109.5° |
| C3 | C2 | H15 | 108.5° | 109.5° |
| C5 | C6 | CA | 112.7° | 109.5° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| C5 | C6 | H7 | 108.7° | 109.5° |
| C6 | C5 | H8 | 109.6° | 109.5° |
| C6 | C5 | H9 | 109.5° | 109.5° |
| O | C | CA | 117.6° | 120.0° |
| O | C | OXT | 123.3° | 120.0° |
| C6 | CA | C | 111.9° | 109.5° |
| C6 | CA | N | 111.0° | 109.4° |
| C6 | CA | HA | 106.8° | 109.4° |
| CA | C6 | H6 | 108.7° | 109.4° |
| CA | C6 | H7 | 108.7° | 109.4° |
| C | CA | N | 112.5° | 109.5° |
| C | CA | HA | 106.7° | 109.5° |
| CA | C | OXT | 119.1° | 120.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 107.6° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C4 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | N1 | O1 | 0.1° | 0.1° |
| O2 | C1 | N1 | C2 | 153.5° | 179.9° |
| O2 | C1 | C2 | C3 | 109.1° | 0.1° |
| O2 | C1 | C2 | H14 | 11.5° | 120.0° |
| O2 | C1 | C2 | H15 | 130.4° | 120.0° |
| O2 | C1 | N1 | H16 | 179.9° | 180.0° |
| O1 | N1 | C1 | H16 | 180.0° | 179.9° |
| O1 | N1 | C1 | C2 | 153.6° | 180.0° |
| N1 | C1 | C2 | C3 | 97.5° | 180.0° |
| N1 | C1 | C2 | H14 | 142.0° | 60.0° |
| N1 | C1 | C2 | H15 | 23.0° | 59.9° |
| C1 | N1 | O1 | H17 | 0.0° | 180.0° |
| C1 | C2 | C3 | C4 | 114.0° | 180.0° |
| C1 | C2 | C3 | H14 | 120.5° | 119.9° |
| C1 | C2 | C3 | H15 | 120.6° | 120.0° |
| C1 | C2 | C3 | H12 | 6.4° | 60.1° |
| C1 | C2 | C3 | H13 | 125.8° | 60.0° |
| C1 | C2 | H14 | H15 | 118.4° | 120.0° |
| C2 | C1 | N1 | H16 | 26.4° | 0.1° |
| C3 | C4 | C5 | H10 | 120.5° | 120.0° |
| C3 | C4 | C5 | H11 | 120.5° | 120.0° |
| C4 | C3 | C2 | H12 | 120.3° | 119.9° |
| C4 | C3 | C2 | H13 | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 146.6° | 179.9° |
| C3 | C4 | C5 | H8 | 26.7° | 60.1° |
| C3 | C4 | C5 | H9 | 93.4° | 59.9° |
| C3 | C4 | H10 | H11 | 118.6° | 120.1° |
| C4 | C3 | H12 | H13 | 119.1° | 120.0° |
| C4 | C3 | C2 | H14 | 6.6° | 60.1° |
| C4 | C3 | C2 | H15 | 125.5° | 60.0° |
| C5 | C4 | C3 | C2 | 141.4° | 180.0° |
| C4 | C5 | C6 | H8 | 120.0° | 120.0° |
| C4 | C5 | C6 | H9 | 120.0° | 120.0° |
| C4 | C5 | C6 | CA | 169.8° | 180.0° |
| C4 | C5 | C6 | H6 | 49.3° | 60.0° |
| C4 | C5 | C6 | H7 | 69.8° | 60.0° |
| C4 | C5 | H8 | H9 | 120.2° | 120.0° |
| C5 | C4 | H10 | H11 | 118.6° | 120.0° |
| C5 | C4 | C3 | H12 | 98.3° | 60.0° |
| C5 | C4 | C3 | H13 | 21.1° | 59.9° |
| C2 | C3 | C4 | H10 | 98.2° | 60.1° |
| C2 | C3 | C4 | H11 | 20.9° | 60.0° |
| C2 | C3 | H12 | H13 | 119.1° | 120.1° |
| C3 | C2 | H14 | H15 | 118.3° | 120.1° |
| C5 | C6 | CA | H6 | 120.5° | 120.0° |
| C5 | C6 | CA | H7 | 120.5° | 120.0° |
| C5 | C6 | CA | C | 153.0° | 175.0° |
| C5 | C6 | CA | N | 80.4° | 65.0° |
| C5 | C6 | CA | HA | 36.6° | 55.0° |
| C5 | C6 | H6 | H7 | 118.5° | 120.0° |
| C6 | C5 | H8 | H9 | 120.1° | 120.0° |
| C6 | C5 | C4 | H10 | 92.9° | 60.0° |
| C6 | C5 | C4 | H11 | 26.2° | 60.0° |
| O | C | CA | C6 | 139.9° | 100.0° |
| O | C | CA | OXT | 179.0° | 180.0° |
| O | C | CA | N | 94.4° | 20.0° |
| O | C | CA | HA | 23.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C6 | CA | C | N | 125.8° | 120.0° |
| C6 | CA | C | HA | 116.5° | 120.0° |
| C6 | CA | N | HA | 116.5° | 120.0° |
| C6 | CA | N | H | 180.0° | 60.1° |
| C6 | CA | N | H2 | 60.0° | 63.9° |
| CA | C6 | H6 | H7 | 118.5° | 120.0° |
| CA | C6 | C5 | H8 | 70.3° | 60.0° |
| CA | C6 | C5 | H9 | 49.8° | 60.0° |
| C6 | CA | C | OXT | 41.1° | 80.0° |
| C | CA | N | HA | 117.2° | 120.0° |
| C | CA | N | H | 53.7° | 60.0° |
| C | CA | N | H2 | 66.3° | 176.0° |
| C | CA | C6 | H6 | 32.5° | 65.0° |
| C | CA | C6 | H7 | 86.6° | 55.0° |
| CA | C | OXT | HXT | 178.9° | 180.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C6 | H6 | 159.0° | 55.0° |
| N | CA | C6 | H7 | 40.0° | 175.0° |
| N | CA | C | OXT | 84.6° | 160.0° |
| H | N | CA | HA | 63.5° | 180.0° |
| H2 | N | CA | HA | 176.5° | 56.0° |
| HA | CA | C6 | H6 | 84.0° | 175.0° |
| HA | CA | C6 | H7 | 157.0° | 65.0° |
| HA | CA | C | OXT | 157.7° | 40.0° |
| H6 | C6 | C5 | H8 | 169.3° | 180.0° |
| H6 | C6 | C5 | H9 | 70.7° | 60.0° |
| H7 | C6 | C5 | H8 | 50.2° | 60.0° |
| H7 | C6 | C5 | H9 | 170.3° | 180.0° |
| H8 | C5 | C4 | H10 | 147.2° | 180.0° |
| H8 | C5 | C4 | H11 | 93.8° | 60.0° |
| H9 | C5 | C4 | H10 | 27.0° | 60.0° |
| H9 | C5 | C4 | H11 | 146.1° | 180.0° |
| H10 | C4 | C3 | H12 | 22.1° | 180.0° |
| H10 | C4 | C3 | H13 | 141.6° | 60.0° |
| H11 | C4 | C3 | H12 | 141.2° | 60.0° |
| H11 | C4 | C3 | H13 | 99.4° | 180.0° |
| H12 | C3 | C2 | H14 | 126.9° | 180.0° |
| H12 | C3 | C2 | H15 | 114.2° | 59.9° |
| H13 | C3 | C2 | H14 | 113.7° | 59.9° |
| H13 | C3 | C2 | H15 | 5.2° | 180.0° |
| H16 | N1 | O1 | H17 | 179.9° | 0.1° |
