QF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | doub | 1.39Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.36Å | 1.37Å | Aromatic |
| C01 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C03 | C04 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C04 | C09 | sing | 1.42Å | 1.30Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.26Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.36Å | 1.36Å | Aromatic |
| C08 | C07 | doub | 1.36Å | 1.52Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.50Å | Aromatic |
| C06 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | CA | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.2° | 121.0° |
| C02 | C01 | C10 | 119.6° | 121.0° |
| C01 | C02 | H1 | 119.9° | 119.5° |
| C02 | C01 | H16 | 120.2° | 119.5° |
| C02 | C03 | C04 | 120.2° | 119.7° |
| C03 | C02 | H1 | 119.9° | 119.5° |
| C02 | C03 | H9 | 119.9° | 120.2° |
| C01 | C10 | C09 | 119.5° | 119.7° |
| C01 | C10 | H6 | 120.3° | 120.2° |
| C10 | C01 | H16 | 120.2° | 119.5° |
| C03 | C04 | C09 | 119.1° | 119.3° |
| C03 | C04 | C05 | 119.5° | 121.3° |
| C04 | C03 | H9 | 119.9° | 120.1° |
| C10 | C09 | C04 | 121.4° | 119.4° |
| C10 | C09 | C08 | 116.7° | 121.3° |
| C09 | C10 | H6 | 120.2° | 120.2° |
| C09 | C04 | C05 | 121.4° | 119.4° |
| C04 | C09 | C08 | 121.9° | 119.4° |
| C04 | C05 | C06 | 129.7° | 119.6° |
| C04 | C05 | H3 | 115.2° | 120.2° |
| C09 | C08 | C07 | 118.6° | 119.6° |
| C09 | C08 | H5 | 120.7° | 120.2° |
| C05 | C06 | C07 | 113.9° | 121.0° |
| C05 | C06 | C11 | 123.3° | 119.5° |
| C06 | C05 | H3 | 115.2° | 120.2° |
| C08 | C07 | C06 | 114.5° | 121.0° |
| C08 | C07 | H4 | 122.8° | 119.5° |
| C07 | C08 | H5 | 120.7° | 120.2° |
| C07 | C06 | C11 | 122.8° | 119.5° |
| C06 | C07 | H4 | 122.8° | 119.5° |
| C06 | C11 | CA | 112.8° | 109.5° |
| C06 | C11 | H7 | 108.6° | 109.5° |
| C06 | C11 | H8 | 108.7° | 109.4° |
| C11 | CA | N | 109.4° | 109.5° |
| C11 | CA | CB | 106.8° | 109.4° |
| CA | C11 | H7 | 108.6° | 109.5° |
| CA | C11 | H8 | 108.6° | 109.4° |
| C11 | CA | HA | 109.7° | 109.5° |
| N | CA | CB | 110.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.8° | 109.5° |
| CA | CB | C | 113.1° | 109.5° |
| CA | CB | H12 | 108.6° | 109.4° |
| CA | CB | H13 | 108.5° | 109.5° |
| CB | CA | HA | 109.6° | 109.4° |
| CB | C | O | 121.2° | 120.0° |
| C | CB | H12 | 108.5° | 109.5° |
| C | CB | H13 | 108.6° | 109.5° |
| CB | C | OXT | 115.5° | 120.0° |
| O | C | OXT | 123.3° | 120.0° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 110.9° |
| H12 | CB | H13 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H1 | 180.0° | 179.8° |
| C02 | C01 | C10 | H16 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C10 | C09 | 0.1° | 0.0° |
| C01 | C02 | C03 | H9 | 180.0° | 180.0° |
| C02 | C01 | C10 | H6 | 179.9° | 180.0° |
| C03 | C02 | C01 | C10 | 0.0° | 0.0° |
| C02 | C03 | C04 | H9 | 180.0° | 180.0° |
| C02 | C03 | C04 | C09 | 0.0° | 0.0° |
| C02 | C03 | C04 | C05 | 180.0° | 180.0° |
| C03 | C02 | C01 | H16 | 180.0° | 180.0° |
| C01 | C10 | C09 | H6 | 180.0° | 180.0° |
| C01 | C10 | C09 | C04 | 0.1° | 0.0° |
| C01 | C10 | C09 | C08 | 179.9° | 179.9° |
| C10 | C01 | C02 | H1 | 180.0° | 179.7° |
| C03 | C04 | C09 | C10 | 0.0° | 0.0° |
| C03 | C04 | C09 | C05 | 180.0° | 180.0° |
| C03 | C04 | C09 | C08 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 179.8° | 180.0° |
| C04 | C03 | C02 | H1 | 180.0° | 179.7° |
| C03 | C04 | C05 | H3 | 0.2° | 0.0° |
| C10 | C09 | C04 | C08 | 180.0° | 179.9° |
| C10 | C09 | C04 | C05 | 180.0° | NaN° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C10 | C09 | C08 | H5 | 0.1° | 0.0° |
| C09 | C10 | C01 | H16 | 180.0° | 180.0° |
| C09 | C04 | C05 | C06 | 0.2° | 0.0° |
| C04 | C09 | C08 | C07 | 0.1° | 0.1° |
| C09 | C04 | C03 | H9 | 180.0° | 180.0° |
| C09 | C04 | C05 | H3 | 179.8° | 180.0° |
| C04 | C09 | C08 | H5 | 179.9° | 179.9° |
| C04 | C09 | C10 | H6 | 179.9° | 180.0° |
| C05 | C04 | C09 | C08 | 0.0° | 0.1° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.1° |
| C04 | C05 | C06 | C11 | 179.6° | 180.0° |
| C05 | C04 | C03 | H9 | 0.0° | 0.0° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.1° |
| C09 | C08 | C07 | H4 | 179.9° | 179.9° |
| C08 | C09 | C10 | H6 | 0.1° | 0.1° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C05 | C06 | C07 | C11 | 179.3° | 180.0° |
| C05 | C06 | C11 | CA | 102.5° | 90.0° |
| C05 | C06 | C07 | H4 | 179.7° | 180.0° |
| C05 | C06 | C11 | H7 | 137.0° | 150.0° |
| C05 | C06 | C11 | H8 | 18.0° | 30.0° |
| C08 | C07 | C06 | H4 | 180.0° | 180.0° |
| C08 | C07 | C06 | C11 | 179.5° | 180.0° |
| C07 | C06 | C11 | CA | 78.3° | 90.1° |
| C07 | C06 | C05 | H3 | 179.7° | 179.9° |
| C06 | C07 | C08 | H5 | 179.9° | 179.9° |
| C07 | C06 | C11 | H7 | 42.2° | 30.0° |
| C07 | C06 | C11 | H8 | 161.2° | 150.0° |
| C06 | C11 | CA | H7 | 120.5° | 120.1° |
| C06 | C11 | CA | H8 | 120.5° | 119.9° |
| C06 | C11 | CA | N | 48.3° | 65.0° |
| C06 | C11 | CA | CB | 167.9° | 175.0° |
| C11 | C06 | C05 | H3 | 0.4° | 0.0° |
| C11 | C06 | C07 | H4 | 0.4° | 0.0° |
| C06 | C11 | H7 | H8 | 118.5° | 120.0° |
| C06 | C11 | CA | HA | 73.4° | 55.1° |
| C11 | CA | N | CB | 117.3° | 120.0° |
| C11 | CA | N | HA | 121.0° | 120.0° |
| C11 | CA | CB | HA | 118.8° | 119.9° |
| C11 | CA | CB | C | 146.6° | 175.0° |
| CA | C11 | H7 | H8 | 118.5° | 120.0° |
| C11 | CA | N | H | 180.0° | 176.1° |
| C11 | CA | N | H2 | 60.0° | 60.0° |
| C11 | CA | CB | H12 | 26.1° | 65.0° |
| C11 | CA | CB | H13 | 92.9° | 54.9° |
| N | CA | CB | HA | 122.3° | 120.0° |
| N | CA | CB | C | 94.6° | 65.0° |
| N | CA | C11 | H7 | 168.8° | 175.0° |
| N | CA | C11 | H8 | 72.2° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H12 | 144.9° | 55.0° |
| N | CA | CB | H13 | 26.0° | 175.0° |
| CA | CB | C | H12 | 120.5° | 120.0° |
| CA | CB | C | H13 | 120.5° | 120.1° |
| CA | CB | C | O | 60.7° | 0.0° |
| CB | CA | C11 | H7 | 71.7° | 54.9° |
| CB | CA | C11 | H8 | 47.4° | 65.1° |
| CB | CA | N | H | 62.7° | 63.9° |
| CB | CA | N | H2 | 57.3° | 60.0° |
| CA | CB | H12 | H13 | 118.3° | 120.0° |
| CA | CB | C | OXT | 119.6° | 180.0° |
| CB | C | O | OXT | 179.7° | 180.0° |
| C | CB | H12 | H13 | 118.4° | 120.0° |
| C | CB | CA | HA | 27.8° | 55.0° |
| CB | C | OXT | HXT | 179.7° | 180.0° |
| O | C | CB | H12 | 59.8° | 120.0° |
| O | C | CB | H13 | 178.8° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H1 | C02 | C03 | H9 | 0.0° | 0.3° |
| H1 | C02 | C01 | H16 | 0.0° | 0.3° |
| H4 | C07 | C08 | H5 | 0.1° | 0.1° |
| H6 | C10 | C01 | H16 | 0.1° | 0.0° |
| H7 | C11 | CA | HA | 47.1° | 65.0° |
| H8 | C11 | CA | HA | 166.1° | 175.0° |
| H | N | CA | HA | 59.0° | 56.1° |
| H2 | N | CA | HA | 179.0° | 180.0° |
| H12 | CB | CA | HA | 92.8° | 175.0° |
| H12 | CB | C | OXT | 119.9° | 60.0° |
| H13 | CB | CA | HA | 148.3° | 65.0° |
| H13 | CB | C | OXT | 1.0° | 59.9° |
