WW0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | C03 | sing | 1.53Å | 1.53Å | |
C04 | C05 | sing | 1.53Å | 1.53Å | |
C03 | C02 | sing | 1.53Å | 1.53Å | |
C03 | N06 | sing | 1.47Å | 1.45Å | |
O08 | C07 | doub | 1.22Å | 1.19Å | |
C02 | C01 | sing | 1.53Å | 1.53Å | |
C07 | N06 | sing | 1.35Å | 1.47Å | |
C07 | C09 | sing | 1.48Å | 1.53Å | |
C10 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C09 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
C11 | N12 | doub | 1.32Å | 1.32Å | Aromatic |
C18 | N17 | sing | 1.35Å | 1.35Å | Aromatic |
C18 | C13 | doub | 1.41Å | 1.36Å | Aromatic |
N17 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
N12 | C13 | sing | 1.32Å | 1.35Å | Aromatic |
C13 | N14 | sing | 1.38Å | 1.35Å | Aromatic |
C15 | N14 | sing | 1.36Å | 1.32Å | Aromatic |
C15 | O16 | sing | 1.35Å | 1.38Å | |
C11 | H111 | sing | 1.08Å | 1.08Å | |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C02 | H022 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C04 | H042 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C05 | H052 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C05 | H053 | sing | 1.09Å | 1.10Å | |
N06 | H061 | sing | 0.97Å | 1.00Å | |
N14 | H141 | sing | 0.97Å | 1.00Å | |
O16 | H161 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C03 | C04 | C05 | 113.6° | 109.5° |
C04 | C03 | C02 | 114.5° | 109.5° |
C04 | C03 | N06 | 110.4° | 109.5° |
C04 | C03 | H031 | 107.9° | 109.5° |
C03 | C04 | H042 | 108.4° | 109.5° |
C03 | C04 | H041 | 108.4° | 109.5° |
C05 | C04 | H042 | 108.4° | 109.5° |
C05 | C04 | H041 | 108.4° | 109.5° |
C04 | C05 | H052 | 109.5° | 109.5° |
C04 | C05 | H051 | 109.5° | 109.4° |
C04 | C05 | H053 | 109.5° | 109.5° |
C02 | C03 | N06 | 107.1° | 109.5° |
C03 | C02 | C01 | 112.2° | 109.5° |
C03 | C02 | H021 | 108.8° | 109.4° |
C03 | C02 | H022 | 108.8° | 109.5° |
C02 | C03 | H031 | 107.9° | 109.5° |
C03 | N06 | C07 | 119.5° | 120.0° |
N06 | C03 | H031 | 108.9° | 109.5° |
C03 | N06 | H061 | 120.2° | 120.0° |
O08 | C07 | N06 | 120.3° | 120.0° |
O08 | C07 | C09 | 118.6° | 120.0° |
C02 | C01 | H011 | 109.5° | 109.5° |
C02 | C01 | H013 | 109.4° | 109.5° |
C02 | C01 | H012 | 109.5° | 109.5° |
C01 | C02 | H021 | 108.8° | 109.5° |
C01 | C02 | H022 | 108.8° | 109.5° |
N06 | C07 | C09 | 121.0° | 120.0° |
C07 | N06 | H061 | 120.3° | 120.0° |
C07 | C09 | C10 | 122.6° | 121.1° |
C07 | C09 | C18 | 120.8° | 121.1° |
C09 | C10 | C11 | 120.6° | 119.4° |
C10 | C09 | C18 | 116.5° | 117.9° |
C09 | C10 | H101 | 119.7° | 120.3° |
C10 | C11 | N12 | 120.6° | 121.5° |
C10 | C11 | H111 | 119.7° | 119.3° |
C11 | C10 | H101 | 119.7° | 120.3° |
C09 | C18 | N17 | 131.8° | 133.8° |
C09 | C18 | C13 | 120.2° | 118.8° |
C11 | N12 | C13 | 120.8° | 122.0° |
N12 | C11 | H111 | 119.7° | 119.2° |
N17 | C18 | C13 | 108.0° | 107.4° |
C18 | N17 | C15 | 107.3° | 109.6° |
C18 | C13 | N12 | 121.4° | 120.5° |
C18 | C13 | N14 | 106.8° | 105.8° |
N17 | C15 | N14 | 109.7° | 109.9° |
N17 | C15 | O16 | 125.1° | 125.0° |
N12 | C13 | N14 | 131.9° | 133.7° |
C13 | N14 | C15 | 108.2° | 107.2° |
C13 | N14 | H141 | 125.9° | 126.3° |
N14 | C15 | O16 | 125.2° | 125.1° |
C15 | N14 | H141 | 125.9° | 126.5° |
C15 | O16 | H161 | 109.5° | 113.9° |
H011 | C01 | H013 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.5° | 109.4° |
H013 | C01 | H012 | 109.5° | 109.5° |
H021 | C02 | H022 | 109.5° | 109.5° |
H042 | C04 | H041 | 109.5° | 109.4° |
H052 | C05 | H051 | 109.5° | 109.5° |
H052 | C05 | H053 | 109.5° | 109.4° |
H051 | C05 | H053 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C03 | C04 | C05 | H042 | 120.6° | 120.0° |
C03 | C04 | C05 | H041 | 120.6° | 120.0° |
C04 | C03 | C02 | N06 | 122.7° | 120.0° |
C04 | C03 | C02 | H031 | 120.1° | 120.0° |
C04 | C03 | N06 | H031 | 118.3° | 120.0° |
C04 | C03 | C02 | C01 | 177.6° | 175.0° |
C04 | C03 | N06 | C07 | 95.5° | 85.0° |
C04 | C03 | C02 | H021 | 57.2° | 55.0° |
C04 | C03 | C02 | H022 | 62.0° | 65.0° |
C03 | C04 | H042 | H041 | 118.1° | 120.0° |
C03 | C04 | C05 | H052 | 180.0° | 60.0° |
C03 | C04 | C05 | H051 | 60.0° | 60.0° |
C03 | C04 | C05 | H053 | 60.0° | 180.0° |
C04 | C03 | N06 | H061 | 84.5° | 95.0° |
C05 | C04 | C03 | C02 | 43.3° | 175.0° |
C05 | C04 | C03 | N06 | 77.6° | 65.0° |
C05 | C04 | C03 | H031 | 163.4° | 55.0° |
C05 | C04 | H042 | H041 | 118.1° | 120.0° |
C04 | C05 | H052 | H051 | 120.0° | 120.0° |
C04 | C05 | H052 | H053 | 120.0° | 120.0° |
C04 | C05 | H051 | H053 | 120.0° | 120.0° |
C02 | C03 | N06 | H031 | 116.5° | 120.0° |
C03 | C02 | C01 | H021 | 120.4° | 120.0° |
C03 | C02 | C01 | H022 | 120.4° | 120.0° |
C02 | C03 | N06 | C07 | 139.3° | 155.0° |
C03 | C02 | C01 | H011 | 180.0° | 60.0° |
C03 | C02 | C01 | H013 | 60.0° | 60.0° |
C03 | C02 | C01 | H012 | 60.0° | 180.0° |
C03 | C02 | H021 | H022 | 118.8° | 120.0° |
C02 | C03 | C04 | H042 | 77.3° | 54.9° |
C02 | C03 | C04 | H041 | 163.9° | 65.0° |
C02 | C03 | N06 | H061 | 40.7° | 25.0° |
C03 | N06 | C07 | O08 | 1.6° | 0.0° |
N06 | C03 | C02 | C01 | 59.7° | 65.0° |
C03 | N06 | C07 | H061 | 180.0° | 180.0° |
C03 | N06 | C07 | C09 | 177.9° | 180.0° |
N06 | C03 | C02 | H021 | 179.9° | 175.0° |
N06 | C03 | C02 | H022 | 60.7° | 55.0° |
N06 | C03 | C04 | H042 | 161.8° | 174.9° |
N06 | C03 | C04 | H041 | 43.0° | 55.0° |
O08 | C07 | N06 | C09 | 176.2° | 180.0° |
O08 | C07 | C09 | C10 | 10.0° | 180.0° |
O08 | C07 | C09 | C18 | 172.5° | 0.0° |
O08 | C07 | N06 | H061 | 178.4° | 180.0° |
C02 | C01 | H011 | H013 | 120.0° | 120.0° |
C02 | C01 | H011 | H012 | 120.0° | 120.0° |
C02 | C01 | H013 | H012 | 120.0° | 120.0° |
C01 | C02 | H021 | H022 | 118.7° | 120.0° |
C01 | C02 | C03 | H031 | 57.5° | 55.0° |
N06 | C07 | C09 | C10 | 166.3° | 0.0° |
N06 | C07 | C09 | C18 | 11.2° | 180.0° |
C07 | N06 | C03 | H031 | 22.8° | 35.0° |
C07 | C09 | C10 | C18 | 177.6° | 180.0° |
C07 | C09 | C10 | C11 | 178.6° | 179.9° |
C07 | C09 | C18 | N17 | 1.7° | 0.1° |
C07 | C09 | C18 | C13 | 178.7° | 179.7° |
C07 | C09 | C10 | H101 | 1.4° | 0.0° |
C09 | C07 | N06 | H061 | 2.1° | 0.0° |
C09 | C10 | C11 | H101 | 180.0° | 180.0° |
C09 | C10 | C11 | N12 | 1.1° | 0.1° |
C10 | C09 | C18 | N17 | 179.4° | 180.0° |
C10 | C09 | C18 | C13 | 1.0° | 0.3° |
C09 | C10 | C11 | H111 | 178.9° | 179.9° |
C11 | C10 | C09 | C18 | 1.0° | 0.1° |
C10 | C11 | N12 | H111 | 180.0° | 179.8° |
C10 | C11 | N12 | C13 | 1.2° | 0.2° |
C09 | C18 | N17 | C13 | 179.7° | 179.7° |
C09 | C18 | N17 | C15 | 179.1° | 179.7° |
C09 | C18 | C13 | N12 | 1.1° | 0.3° |
C09 | C18 | C13 | N14 | 179.9° | 179.7° |
C18 | C09 | C10 | H101 | 179.0° | 179.9° |
C11 | N12 | C13 | C18 | 1.2° | 0.1° |
C11 | N12 | C13 | N14 | 179.9° | 180.0° |
N12 | C11 | C10 | H101 | 178.9° | 179.8° |
N17 | C18 | C13 | N12 | 179.2° | 180.0° |
N17 | C18 | C13 | N14 | 0.2° | 0.0° |
C18 | N17 | C15 | N14 | 1.2° | 0.1° |
C18 | N17 | C15 | O16 | 180.0° | 179.9° |
C13 | C18 | N17 | C15 | 0.6° | 0.0° |
C18 | C13 | N12 | N14 | 178.7° | 179.9° |
C18 | C13 | N14 | C15 | 0.9° | 0.0° |
C18 | C13 | N14 | H141 | 179.1° | 179.9° |
N17 | C15 | N14 | C13 | 1.3° | 0.1° |
N17 | C15 | N14 | O16 | 178.8° | 179.9° |
N17 | C15 | N14 | H141 | 178.7° | 180.0° |
N17 | C15 | O16 | H161 | 0.0° | 90.1° |
N12 | C13 | N14 | C15 | 179.7° | 179.9° |
C13 | N12 | C11 | H111 | 178.8° | 179.9° |
N12 | C13 | N14 | H141 | 0.3° | 0.0° |
C13 | N14 | C15 | H141 | 180.0° | 179.9° |
C13 | N14 | C15 | O16 | 179.9° | 179.9° |
N14 | C15 | O16 | H161 | 178.6° | 90.0° |
O16 | C15 | N14 | H141 | 0.1° | 0.2° |
H111 | C11 | C10 | H101 | 1.1° | 0.1° |
H011 | C01 | H013 | H012 | 120.0° | 120.0° |
H011 | C01 | C02 | H021 | 59.6° | 60.0° |
H011 | C01 | C02 | H022 | 59.6° | 180.0° |
H013 | C01 | C02 | H021 | 179.6° | 180.0° |
H013 | C01 | C02 | H022 | 60.4° | 60.0° |
H012 | C01 | C02 | H021 | 60.4° | 60.0° |
H012 | C01 | C02 | H022 | 179.6° | 60.0° |
H021 | C02 | C03 | H031 | 63.0° | 65.0° |
H022 | C02 | C03 | H031 | 177.9° | 175.0° |
H031 | C03 | C04 | H042 | 42.9° | 65.1° |
H031 | C03 | C04 | H041 | 76.0° | 175.0° |
H031 | C03 | N06 | H061 | 157.2° | 145.0° |
H042 | C04 | C05 | H052 | 59.4° | 179.9° |
H042 | C04 | C05 | H051 | 179.4° | 60.0° |
H042 | C04 | C05 | H053 | 60.6° | 60.0° |
H041 | C04 | C05 | H052 | 59.4° | 60.0° |
H041 | C04 | C05 | H051 | 60.6° | 180.0° |
H041 | C04 | C05 | H053 | 179.4° | 60.0° |
H052 | C05 | H051 | H053 | 120.0° | 120.0° |