W5P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C03 | C02 | sing | 1.53Å | 1.44Å | |
C03 | C04 | sing | 1.53Å | 1.43Å | |
C02 | F01 | sing | 1.40Å | 1.28Å | |
C02 | C07 | sing | 1.53Å | 1.53Å | |
C07 | N06 | sing | 1.47Å | 1.45Å | |
C04 | C05 | sing | 1.53Å | 1.50Å | |
C05 | N06 | sing | 1.47Å | 1.51Å | |
N06 | C08 | sing | 1.38Å | 1.41Å | |
C08 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
C08 | N09 | sing | 1.33Å | 1.32Å | Aromatic |
C15 | C16 | sing | 1.46Å | 1.39Å | Aromatic |
C15 | C14 | doub | 1.34Å | 1.32Å | Aromatic |
C16 | C12 | sing | 1.41Å | 1.34Å | Aromatic |
N09 | C10 | doub | 1.32Å | 1.26Å | Aromatic |
C14 | N13 | sing | 1.37Å | 1.33Å | Aromatic |
C12 | N13 | sing | 1.37Å | 1.31Å | Aromatic |
C12 | N11 | doub | 1.33Å | 1.31Å | Aromatic |
C10 | N11 | sing | 1.32Å | 1.25Å | Aromatic |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C03 | H032 | 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 | H051 | sing | 1.09Å | 1.10Å | |
C05 | H052 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
N13 | H131 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C03 | C04 | 115.3° | 109.2° |
C03 | C02 | F01 | 109.7° | 109.5° |
C03 | C02 | C07 | 124.6° | 109.2° |
C03 | C02 | H021 | 108.2° | 109.5° |
C02 | C03 | H032 | 108.0° | 109.5° |
C02 | C03 | H031 | 108.0° | 109.5° |
C03 | C04 | C05 | 108.4° | 109.3° |
C04 | C03 | H032 | 108.0° | 109.6° |
C04 | C03 | H031 | 108.0° | 109.6° |
C03 | C04 | H042 | 109.7° | 109.6° |
C03 | C04 | H041 | 109.7° | 109.5° |
F01 | C02 | C07 | 95.7° | 109.5° |
F01 | C02 | H021 | 110.6° | 109.5° |
C02 | C07 | N06 | 106.8° | 109.6° |
C07 | C02 | H021 | 107.2° | 109.6° |
C02 | C07 | H072 | 110.1° | 109.5° |
C02 | C07 | H071 | 110.1° | 109.5° |
C07 | N06 | C05 | 103.7° | 111.2° |
C07 | N06 | C08 | 130.4° | 111.0° |
N06 | C07 | H072 | 110.1° | 109.4° |
N06 | C07 | H071 | 110.1° | 109.4° |
C04 | C05 | N06 | 114.6° | 109.5° |
C05 | C04 | H042 | 109.7° | 109.5° |
C05 | C04 | H041 | 109.8° | 109.4° |
C04 | C05 | H051 | 108.2° | 109.5° |
C04 | C05 | H052 | 108.2° | 109.5° |
C05 | N06 | C08 | 125.6° | 111.0° |
N06 | C05 | H051 | 108.2° | 109.5° |
N06 | C05 | H052 | 108.2° | 109.4° |
N06 | C08 | C16 | 127.2° | 120.8° |
N06 | C08 | N09 | 115.3° | 120.9° |
C16 | C08 | N09 | 117.5° | 118.3° |
C08 | C16 | C15 | 136.5° | 135.1° |
C08 | C16 | C12 | 115.9° | 118.7° |
C08 | N09 | C10 | 121.7° | 121.0° |
C16 | C15 | C14 | 106.3° | 106.8° |
C15 | C16 | C12 | 107.5° | 106.2° |
C16 | C15 | H151 | 126.8° | 126.6° |
C15 | C14 | N13 | 108.5° | 109.8° |
C14 | C15 | H151 | 126.8° | 126.6° |
C15 | C14 | H141 | 125.8° | 125.1° |
C16 | C12 | N13 | 107.4° | 107.2° |
C16 | C12 | N11 | 121.8° | 118.5° |
N09 | C10 | N11 | 123.4° | 122.7° |
N09 | C10 | H101 | 118.3° | 118.6° |
C14 | N13 | C12 | 110.2° | 110.0° |
N13 | C14 | H141 | 125.7° | 125.1° |
C14 | N13 | H131 | 124.9° | 125.0° |
N13 | C12 | N11 | 130.5° | 134.2° |
C12 | N13 | H131 | 124.9° | 125.0° |
C12 | N11 | C10 | 119.0° | 120.7° |
N11 | C10 | H101 | 118.3° | 118.6° |
H032 | C03 | H031 | 109.4° | 109.6° |
H042 | C04 | H041 | 109.5° | 109.5° |
H051 | C05 | H052 | 109.5° | 109.5° |
H072 | C07 | H071 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C03 | C04 | H032 | 120.9° | 119.9° |
C02 | C03 | C04 | H031 | 120.9° | 119.9° |
C03 | C02 | F01 | C07 | 129.9° | 119.7° |
C03 | C02 | F01 | H021 | 119.3° | 120.1° |
C03 | C02 | C07 | H021 | 127.6° | 120.0° |
C03 | C02 | C07 | N06 | 39.8° | 59.2° |
C02 | C03 | C04 | C05 | 32.4° | 57.7° |
C02 | C03 | H032 | H031 | 117.4° | 120.1° |
C02 | C03 | C04 | H042 | 87.4° | 62.3° |
C02 | C03 | C04 | H041 | 152.2° | 177.6° |
C03 | C02 | C07 | H072 | 79.8° | 60.9° |
C03 | C02 | C07 | H071 | 159.3° | 179.1° |
C04 | C03 | C02 | F01 | 85.3° | 62.2° |
C04 | C03 | C02 | C07 | 26.8° | 57.7° |
C03 | C04 | C05 | H042 | 119.8° | 120.0° |
C03 | C04 | C05 | H041 | 119.8° | 119.9° |
C03 | C04 | C05 | N06 | 59.1° | 59.2° |
C04 | C03 | C02 | H021 | 154.0° | 177.7° |
C04 | C03 | H032 | H031 | 117.3° | 120.3° |
C03 | C04 | H042 | H041 | 120.5° | 120.1° |
C03 | C04 | C05 | H051 | 179.8° | 179.2° |
C03 | C04 | C05 | H052 | 61.7° | 60.8° |
F01 | C02 | C07 | H021 | 113.7° | 120.1° |
F01 | C02 | C07 | N06 | 78.9° | 60.7° |
F01 | C02 | C03 | H032 | 35.6° | 57.7° |
F01 | C02 | C03 | H031 | 153.9° | 177.8° |
F01 | C02 | C07 | H072 | 161.5° | 179.2° |
F01 | C02 | C07 | H071 | 40.6° | 59.2° |
C02 | C07 | N06 | H072 | 119.6° | 120.1° |
C02 | C07 | N06 | H071 | 119.6° | 120.0° |
C02 | C07 | N06 | C05 | 55.7° | 61.7° |
C02 | C07 | N06 | C08 | 130.0° | 174.2° |
C07 | C02 | C03 | H032 | 147.6° | 177.6° |
C07 | C02 | C03 | H031 | 94.1° | 62.3° |
C02 | C07 | H072 | H071 | 121.2° | 120.0° |
C07 | N06 | C05 | C04 | 73.5° | 61.7° |
C07 | N06 | C05 | C08 | 174.7° | 124.1° |
C07 | N06 | C08 | C16 | 26.1° | 55.8° |
C07 | N06 | C08 | N09 | 154.5° | 124.4° |
N06 | C07 | C02 | H021 | 167.4° | 179.2° |
C07 | N06 | C05 | H051 | 165.7° | 178.2° |
C07 | N06 | C05 | H052 | 47.2° | 58.3° |
N06 | C07 | H072 | H071 | 121.3° | 119.9° |
C04 | C05 | N06 | H051 | 120.8° | 120.0° |
C04 | C05 | N06 | H052 | 120.7° | 120.0° |
C04 | C05 | N06 | C08 | 111.8° | 174.2° |
C05 | C04 | C03 | H032 | 153.2° | 177.6° |
C05 | C04 | C03 | H031 | 88.5° | 62.2° |
C05 | C04 | H042 | H041 | 120.5° | 120.0° |
C04 | C05 | H051 | H052 | 117.6° | 120.0° |
C05 | N06 | C08 | C16 | 160.7° | 180.0° |
C05 | N06 | C08 | N09 | 18.7° | 0.2° |
N06 | C05 | C04 | H042 | 60.7° | 60.8° |
N06 | C05 | C04 | H041 | 178.9° | 179.1° |
N06 | C05 | H051 | H052 | 117.7° | 120.0° |
C05 | N06 | C07 | H072 | 63.9° | 58.3° |
C05 | N06 | C07 | H071 | 175.2° | 178.2° |
N06 | C08 | C16 | N09 | 179.4° | 179.8° |
N06 | C08 | C16 | C15 | 3.9° | 0.2° |
N06 | C08 | C16 | C12 | 174.0° | 180.0° |
N06 | C08 | N09 | C10 | 173.5° | 179.8° |
C08 | N06 | C05 | H051 | 9.0° | 54.1° |
C08 | N06 | C05 | H052 | 127.4° | 65.8° |
C08 | N06 | C07 | H072 | 110.4° | 65.7° |
C08 | N06 | C07 | H071 | 10.5° | 54.2° |
C08 | C16 | C15 | C12 | 178.0° | 179.8° |
C08 | C16 | C15 | C14 | 179.7° | 179.3° |
C16 | C08 | N09 | C10 | 5.9° | 0.0° |
C08 | C16 | C12 | N13 | 179.2° | 179.8° |
C08 | C16 | C12 | N11 | 5.4° | 0.5° |
C08 | C16 | C15 | H151 | 0.3° | 0.0° |
N09 | C08 | C16 | C15 | 176.7° | 180.0° |
N09 | C08 | C16 | C12 | 5.3° | 0.2° |
C08 | N09 | C10 | N11 | 6.4° | 0.0° |
C08 | N09 | C10 | H101 | 173.6° | 179.7° |
C16 | C15 | C14 | H151 | 180.0° | 179.4° |
C16 | C15 | C14 | N13 | 3.0° | 0.7° |
C15 | C16 | C12 | N13 | 0.7° | 0.0° |
C15 | C16 | C12 | N11 | 176.1° | 179.7° |
C16 | C15 | C14 | H141 | 176.9° | 180.0° |
C14 | C15 | C16 | C12 | 2.3° | 0.4° |
C15 | C14 | N13 | H141 | 180.0° | 179.3° |
C15 | C14 | N13 | C12 | 2.8° | 0.8° |
C15 | C14 | N13 | H131 | 177.3° | 179.2° |
C16 | C12 | N13 | C14 | 1.2° | 0.5° |
C16 | C12 | N13 | N11 | 174.9° | 179.6° |
C16 | C12 | N11 | C10 | 5.6° | 0.5° |
C12 | C16 | C15 | H151 | 177.7° | 179.8° |
C16 | C12 | N13 | H131 | 178.8° | 179.5° |
N09 | C10 | N11 | C12 | 6.0° | 0.2° |
N09 | C10 | N11 | H101 | 180.0° | 179.8° |
C14 | N13 | C12 | H131 | 180.0° | 180.0° |
C14 | N13 | C12 | N11 | 173.7° | 179.9° |
N13 | C14 | C15 | H151 | 177.0° | 179.9° |
N13 | C12 | N11 | C10 | 179.9° | 180.0° |
C12 | N13 | C14 | H141 | 177.2° | 180.0° |
C12 | N11 | C10 | H101 | 174.0° | 180.0° |
N11 | C12 | N13 | H131 | 6.3° | 0.1° |
H151 | C15 | C14 | H141 | 3.0° | 0.6° |
H021 | C02 | C03 | H032 | 85.1° | 62.4° |
H021 | C02 | C03 | H031 | 33.1° | 57.7° |
H021 | C02 | C07 | H072 | 47.8° | 59.1° |
H021 | C02 | C07 | H071 | 73.0° | 60.9° |
H032 | C03 | C04 | H042 | 33.4° | 57.6° |
H032 | C03 | C04 | H041 | 86.9° | 62.6° |
H031 | C03 | C04 | H042 | 151.7° | 177.8° |
H031 | C03 | C04 | H041 | 31.3° | 57.6° |
H042 | C04 | C05 | H051 | 60.0° | 59.2° |
H042 | C04 | C05 | H052 | 178.5° | 179.2° |
H041 | C04 | C05 | H051 | 60.4° | 60.9° |
H041 | C04 | C05 | H052 | 58.1° | 59.1° |
H141 | C14 | N13 | H131 | 2.8° | 0.0° |