HHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.18Å | |
| O09 | C08 | doub | 1.22Å | 1.18Å | |
| N01 | C02 | sing | 1.35Å | 1.45Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C06 | C04 | sing | 1.53Å | 1.53Å | |
| C06 | N07 | sing | 1.47Å | 1.45Å | |
| C08 | N07 | sing | 1.35Å | 1.45Å | |
| C08 | C10 | sing | 1.48Å | 1.53Å | |
| C04 | N05 | sing | 1.47Å | 1.45Å | |
| C56 | C10 | doub | 1.40Å | 1.50Å | Aromatic |
| C56 | C55 | sing | 1.38Å | 1.53Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.49Å | Aromatic |
| C55 | N54 | doub | 1.32Å | 1.48Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.52Å | Aromatic |
| N54 | C12 | sing | 1.33Å | 1.48Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.52Å | |
| C13 | N | doub | 1.28Å | 1.54Å | |
| C13 | S14 | sing | 1.77Å | 1.54Å | |
| N | CA | sing | 1.45Å | 1.55Å | |
| S14 | C15 | sing | 1.82Å | 1.73Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.19Å | |
| CA | C15 | sing | 1.54Å | 1.69Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N05 | H5 | sing | 1.01Å | 1.00Å | |
| N05 | H051 | sing | 1.01Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 52.11Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | N01 | 120.0° | 120.0° |
| O03 | C02 | C04 | 120.1° | 119.9° |
| O09 | C08 | N07 | 121.5° | 120.0° |
| O09 | C08 | C10 | 121.6° | 120.0° |
| N01 | C02 | C04 | 119.9° | 120.0° |
| C02 | N01 | H011 | 120.0° | 120.0° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C02 | C04 | C06 | 111.8° | 109.5° |
| C02 | C04 | N05 | 110.1° | 109.5° |
| C02 | C04 | H3 | 107.5° | 109.4° |
| C04 | C06 | N07 | 109.0° | 109.5° |
| C06 | C04 | N05 | 111.4° | 109.5° |
| C06 | C04 | H3 | 107.4° | 109.4° |
| C04 | C06 | H061 | 109.6° | 109.5° |
| C04 | C06 | H062 | 109.6° | 109.4° |
| C06 | N07 | C08 | 121.4° | 120.0° |
| N07 | C06 | H061 | 109.6° | 109.5° |
| N07 | C06 | H062 | 109.6° | 109.5° |
| C06 | N07 | H071 | 119.3° | 120.0° |
| N07 | C08 | C10 | 116.9° | 120.0° |
| C08 | N07 | H071 | 119.3° | 120.0° |
| C08 | C10 | C56 | 123.4° | 120.8° |
| C08 | C10 | C11 | 116.8° | 120.9° |
| N05 | C04 | H3 | 108.4° | 109.5° |
| C04 | N05 | H5 | 109.5° | 111.0° |
| C04 | N05 | H051 | 109.5° | 111.0° |
| C10 | C56 | C55 | 119.2° | 119.2° |
| C56 | C10 | C11 | 119.7° | 118.3° |
| C10 | C56 | H561 | 120.4° | 120.4° |
| C56 | C55 | N54 | 120.5° | 121.0° |
| C56 | C55 | H551 | 119.7° | 119.5° |
| C55 | C56 | H561 | 120.4° | 120.4° |
| C10 | C11 | C12 | 120.5° | 118.9° |
| C10 | C11 | H111 | 119.8° | 120.6° |
| C55 | N54 | C12 | 120.1° | 122.0° |
| N54 | C55 | H551 | 119.8° | 119.5° |
| C11 | C12 | N54 | 119.9° | 120.7° |
| C11 | C12 | C13 | 116.6° | 119.7° |
| C12 | C11 | H111 | 119.8° | 120.5° |
| N54 | C12 | C13 | 123.4° | 119.6° |
| C12 | C13 | N | 118.4° | 125.0° |
| C12 | C13 | S14 | 123.6° | 125.0° |
| N | C13 | S14 | 107.9° | 110.0° |
| C13 | N | CA | 106.4° | 119.9° |
| C13 | S14 | C15 | 102.0° | 95.7° |
| N | CA | C | 117.7° | 109.1° |
| N | CA | C15 | 97.2° | 111.2° |
| N | CA | HA | 107.1° | 109.1° |
| S14 | C15 | CA | 103.2° | 103.3° |
| S14 | C15 | H151 | 111.0° | 110.7° |
| S14 | C15 | H152 | 111.0° | 110.9° |
| CA | C | O | 121.7° | 120.0° |
| C | CA | C15 | 120.6° | 109.2° |
| C | CA | HA | 107.4° | 109.1° |
| CA | C | OXT | 133.5° | 120.0° |
| O | C | OXT | 104.2° | 120.0° |
| CA | C15 | H151 | 111.0° | 110.7° |
| CA | C15 | H152 | 111.0° | 110.6° |
| C15 | CA | HA | 105.6° | 109.2° |
| H151 | C15 | H152 | 109.5° | 110.5° |
| H061 | C06 | H062 | 109.5° | 109.4° |
| H011 | N01 | H012 | 120.0° | 120.0° |
| H5 | N05 | H051 | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | N01 | C04 | 179.8° | 180.0° |
| O03 | C02 | C04 | C06 | 32.4° | 100.0° |
| O03 | C02 | C04 | N05 | 92.1° | 20.0° |
| O03 | C02 | C04 | H3 | 150.0° | 140.0° |
| O03 | C02 | N01 | H011 | 0.0° | 179.9° |
| O03 | C02 | N01 | H012 | 180.0° | 0.0° |
| O09 | C08 | N07 | C06 | 0.2° | 0.0° |
| O09 | C08 | N07 | C10 | 179.5° | 180.0° |
| O09 | C08 | C10 | C56 | 32.7° | 179.7° |
| O09 | C08 | C10 | C11 | 147.5° | 0.0° |
| O09 | C08 | N07 | H071 | 179.8° | 180.0° |
| N01 | C02 | C04 | C06 | 147.4° | 80.0° |
| N01 | C02 | C04 | N05 | 88.2° | 160.0° |
| N01 | C02 | C04 | H3 | 29.7° | 40.0° |
| C02 | N01 | H011 | H012 | 180.0° | 179.9° |
| C02 | C04 | C06 | N05 | 123.7° | 120.1° |
| C02 | C04 | C06 | H3 | 117.7° | 119.9° |
| C02 | C04 | C06 | N07 | 126.1° | 175.0° |
| C02 | C04 | N05 | H3 | 117.3° | 120.0° |
| C02 | C04 | C06 | H061 | 113.9° | 64.9° |
| C02 | C04 | C06 | H062 | 6.2° | 55.0° |
| C04 | C02 | N01 | H011 | 179.8° | 0.0° |
| C04 | C02 | N01 | H012 | 0.2° | 180.0° |
| C02 | C04 | N05 | H5 | 180.0° | 60.0° |
| C02 | C04 | N05 | H051 | 60.0° | 63.9° |
| C04 | C06 | N07 | H061 | 119.9° | 120.1° |
| C04 | C06 | N07 | H062 | 119.9° | 120.0° |
| C04 | C06 | N07 | C08 | 137.1° | 180.0° |
| C06 | C04 | N05 | H3 | 118.0° | 120.0° |
| C04 | C06 | H061 | H062 | 120.2° | 120.0° |
| C06 | C04 | N05 | H5 | 55.4° | 60.0° |
| C06 | C04 | N05 | H051 | 64.6° | 176.1° |
| C04 | C06 | N07 | H071 | 42.9° | 0.0° |
| C06 | N07 | C08 | H071 | 180.0° | 180.0° |
| C06 | N07 | C08 | C10 | 179.8° | 180.0° |
| N07 | C06 | C04 | N05 | 2.4° | 55.0° |
| N07 | C06 | C04 | H3 | 116.2° | 65.0° |
| N07 | C06 | H061 | H062 | 120.2° | 120.0° |
| N07 | C08 | C10 | C56 | 147.7° | 0.3° |
| N07 | C08 | C10 | C11 | 32.0° | 180.0° |
| C08 | N07 | C06 | H061 | 103.0° | 60.0° |
| C08 | N07 | C06 | H062 | 17.2° | 60.0° |
| C08 | C10 | C56 | C11 | 179.7° | 179.8° |
| C08 | C10 | C56 | C55 | 179.8° | 179.8° |
| C08 | C10 | C11 | C12 | 179.7° | 180.0° |
| C08 | C10 | C11 | H111 | 0.3° | 0.0° |
| C08 | C10 | C56 | H561 | 0.2° | 0.3° |
| C10 | C08 | N07 | H071 | 0.2° | 0.0° |
| N05 | C04 | C06 | H061 | 122.4° | 175.0° |
| N05 | C04 | C06 | H062 | 117.5° | 65.0° |
| C04 | N05 | H5 | H051 | 120.0° | 123.9° |
| C10 | C56 | C55 | H561 | 180.0° | 180.0° |
| C10 | C56 | C55 | N54 | 0.1° | 0.6° |
| C56 | C10 | C11 | C12 | 0.0° | 0.2° |
| C56 | C10 | C11 | H111 | 180.0° | 179.7° |
| C10 | C56 | C55 | H551 | 179.9° | 179.7° |
| C55 | C56 | C10 | C11 | 0.1° | 0.0° |
| C56 | C55 | N54 | H551 | 180.0° | 179.1° |
| C56 | C55 | N54 | C12 | 0.1° | 0.9° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | N54 | 0.1° | 0.1° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C11 | C10 | C56 | H561 | 179.9° | 180.0° |
| C55 | N54 | C12 | C11 | 0.1° | 0.7° |
| C55 | N54 | C12 | C13 | 179.8° | 179.4° |
| N54 | C55 | C56 | H561 | 179.8° | 179.4° |
| C11 | C12 | N54 | C13 | 179.9° | 179.9° |
| C11 | C12 | C13 | N | 23.7° | 0.0° |
| C11 | C12 | C13 | S14 | 164.9° | 179.7° |
| N54 | C12 | C13 | N | 156.2° | 179.9° |
| N54 | C12 | C13 | S14 | 15.0° | 0.4° |
| N54 | C12 | C11 | H111 | 179.9° | 179.9° |
| C12 | N54 | C55 | H551 | 179.9° | 180.0° |
| C12 | C13 | N | S14 | 146.8° | 179.7° |
| C12 | C13 | N | CA | 170.0° | 179.7° |
| C12 | C13 | S14 | C15 | 160.5° | 179.7° |
| C13 | C12 | C11 | H111 | 0.2° | 0.0° |
| N | C13 | S14 | C15 | 15.9° | 0.0° |
| C13 | N | CA | C | 82.1° | 120.5° |
| C13 | N | CA | C15 | 48.1° | 0.0° |
| C13 | N | CA | HA | 156.9° | 120.4° |
| S14 | C13 | N | CA | 43.3° | 0.0° |
| C13 | S14 | C15 | CA | 13.0° | 0.0° |
| C13 | S14 | C15 | H151 | 106.0° | 118.5° |
| C13 | S14 | C15 | H152 | 132.0° | 118.5° |
| N | CA | C15 | S14 | 36.1° | 0.0° |
| N | CA | C | C15 | 118.3° | 121.7° |
| N | CA | C | HA | 120.8° | 119.1° |
| N | CA | C | O | 169.1° | 21.7° |
| N | CA | C15 | HA | 110.0° | 120.4° |
| N | CA | C15 | H151 | 82.9° | 118.5° |
| N | CA | C15 | H152 | 155.0° | 118.7° |
| N | CA | C | OXT | 21.2° | 158.3° |
| S14 | C15 | CA | C | 92.1° | 120.5° |
| S14 | C15 | CA | H151 | 119.0° | 118.5° |
| S14 | C15 | CA | H152 | 119.0° | 118.7° |
| S14 | C15 | H151 | H152 | 122.9° | 123.2° |
| S14 | C15 | CA | HA | 146.1° | 120.3° |
| CA | C | O | OXT | 172.3° | 180.0° |
| C | CA | C15 | HA | 121.8° | 119.2° |
| C | CA | C15 | H151 | 148.8° | 2.0° |
| C | CA | C15 | H152 | 26.8° | 120.9° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | C15 | 50.8° | 100.0° |
| O | C | CA | HA | 70.0° | 140.8° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CA | C15 | H151 | H152 | 122.9° | 122.9° |
| C15 | CA | C | OXT | 139.5° | 80.0° |
| H151 | C15 | CA | HA | 27.1° | 121.2° |
| H152 | C15 | CA | HA | 94.9° | 1.7° |
| H3 | C04 | C06 | H061 | 3.8° | 55.0° |
| H3 | C04 | C06 | H062 | 123.9° | 175.0° |
| H3 | C04 | N05 | H5 | 62.6° | 180.0° |
| H3 | C04 | N05 | H051 | 177.4° | 56.1° |
| H061 | C06 | N07 | H071 | 77.0° | 120.0° |
| H062 | C06 | N07 | H071 | 162.9° | 120.0° |
| HA | CA | C | OXT | 99.6° | 39.2° |
| H551 | C55 | C56 | H561 | 0.2° | 0.3° |
