W5G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | C05 | sing | 1.53Å | 1.46Å | |
C04 | C03 | sing | 1.53Å | 1.48Å | |
C05 | C06 | sing | 1.53Å | 1.55Å | |
C01 | C03 | sing | 1.53Å | 1.55Å | |
C01 | C02 | sing | 1.53Å | 1.51Å | |
C03 | C08 | sing | 1.53Å | 1.53Å | |
C03 | C02 | sing | 1.53Å | 1.55Å | |
C06 | N07 | sing | 1.47Å | 1.55Å | |
C08 | N07 | sing | 1.47Å | 1.50Å | |
N07 | C09 | sing | 1.38Å | 1.46Å | |
C09 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
C09 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
C16 | C17 | sing | 1.46Å | 1.40Å | Aromatic |
C16 | C15 | doub | 1.34Å | 1.37Å | Aromatic |
C17 | C13 | sing | 1.41Å | 1.35Å | Aromatic |
N10 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
C15 | N14 | sing | 1.37Å | 1.33Å | Aromatic |
C13 | N14 | sing | 1.37Å | 1.37Å | Aromatic |
C13 | N12 | doub | 1.33Å | 1.35Å | Aromatic |
C11 | N12 | sing | 1.32Å | 1.32Å | Aromatic |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C01 | H011 | 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 | |
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 | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C08 | H082 | sing | 1.09Å | 1.10Å | |
C08 | H081 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.08Å | 1.08Å | |
C16 | H161 | sing | 1.08Å | 1.08Å | |
N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | C04 | C03 | 119.1° | 108.5° |
C04 | C05 | C06 | 116.9° | 109.2° |
C05 | C04 | H042 | 107.0° | 109.6° |
C05 | C04 | H041 | 107.0° | 109.7° |
C04 | C05 | H052 | 107.6° | 109.5° |
C04 | C05 | H051 | 107.6° | 109.5° |
C04 | C03 | C01 | 116.2° | 117.8° |
C04 | C03 | C08 | 112.3° | 114.8° |
C04 | C03 | C02 | 120.8° | 117.8° |
C03 | C04 | H042 | 107.0° | 109.6° |
C03 | C04 | H041 | 107.0° | 109.7° |
C05 | C06 | N07 | 118.0° | 109.9° |
C06 | C05 | H052 | 107.6° | 109.5° |
C06 | C05 | H051 | 107.6° | 109.5° |
C05 | C06 | H061 | 107.3° | 109.4° |
C05 | C06 | H062 | 107.3° | 109.4° |
C03 | C01 | C02 | 61.1° | 59.9° |
C01 | C03 | C08 | 120.4° | 117.8° |
C01 | C03 | C02 | 58.4° | 60.1° |
C03 | C01 | H011 | 119.8° | 117.5° |
C03 | C01 | H012 | 119.8° | 117.5° |
C01 | C02 | C03 | 60.5° | 60.0° |
C02 | C01 | H011 | 119.8° | 117.5° |
C02 | C01 | H012 | 119.8° | 117.5° |
C01 | C02 | H021 | 119.9° | 117.5° |
C01 | C02 | H022 | 119.9° | 117.5° |
C08 | C03 | C02 | 118.9° | 117.8° |
C03 | C08 | N07 | 111.3° | 108.9° |
C03 | C08 | H082 | 109.0° | 109.5° |
C03 | C08 | H081 | 109.0° | 109.6° |
C03 | C02 | H021 | 119.9° | 117.5° |
C03 | C02 | H022 | 119.9° | 117.5° |
C06 | N07 | C08 | 113.1° | 111.2° |
C06 | N07 | C09 | 122.8° | 111.0° |
N07 | C06 | H061 | 107.3° | 109.4° |
N07 | C06 | H062 | 107.3° | 109.4° |
C08 | N07 | C09 | 121.0° | 111.0° |
N07 | C08 | H082 | 109.0° | 109.5° |
N07 | C08 | H081 | 109.0° | 109.6° |
N07 | C09 | C17 | 116.7° | 120.8° |
N07 | C09 | N10 | 125.5° | 120.9° |
C17 | C09 | N10 | 117.8° | 118.3° |
C09 | C17 | C16 | 131.9° | 135.1° |
C09 | C17 | C13 | 119.2° | 118.7° |
C09 | N10 | C11 | 121.5° | 121.1° |
C17 | C16 | C15 | 106.6° | 106.8° |
C16 | C17 | C13 | 109.0° | 106.2° |
C17 | C16 | H161 | 126.7° | 126.6° |
C16 | C15 | N14 | 107.3° | 109.8° |
C16 | C15 | H151 | 126.4° | 125.1° |
C15 | C16 | H161 | 126.7° | 126.6° |
C17 | C13 | N14 | 105.4° | 107.2° |
C17 | C13 | N12 | 119.7° | 118.5° |
N10 | C11 | N12 | 121.6° | 122.7° |
N10 | C11 | H111 | 119.2° | 118.7° |
C15 | N14 | C13 | 111.8° | 110.0° |
N14 | C15 | H151 | 126.3° | 125.1° |
C15 | N14 | H141 | 124.1° | 125.0° |
N14 | C13 | N12 | 134.9° | 134.3° |
C13 | N14 | H141 | 124.1° | 125.0° |
C13 | N12 | C11 | 120.2° | 120.8° |
N12 | C11 | H111 | 119.2° | 118.6° |
H011 | C01 | H012 | 109.4° | 115.5° |
H021 | C02 | H022 | 109.5° | 115.5° |
H042 | C04 | H041 | 109.5° | 109.7° |
H052 | C05 | H051 | 109.5° | 109.5° |
H061 | C06 | H062 | 109.5° | 109.3° |
H082 | C08 | H081 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C05 | C04 | C03 | H042 | 121.4° | 119.7° |
C05 | C04 | C03 | H041 | 121.4° | 119.8° |
C04 | C05 | C06 | H052 | 121.1° | 119.9° |
C04 | C05 | C06 | H051 | 121.1° | 119.9° |
C05 | C04 | C03 | C01 | 170.9° | 93.9° |
C05 | C04 | C03 | C08 | 44.9° | 51.5° |
C05 | C04 | C03 | C02 | 103.6° | 162.9° |
C04 | C05 | C06 | N07 | 16.5° | 62.3° |
C05 | C04 | H042 | H041 | 115.6° | 120.5° |
C04 | C05 | H052 | H051 | 116.7° | 120.1° |
C04 | C05 | C06 | H061 | 104.8° | 177.6° |
C04 | C05 | C06 | H062 | 137.7° | 57.9° |
C03 | C04 | C05 | C06 | 23.8° | 54.3° |
C04 | C03 | C01 | C08 | 141.1° | 144.4° |
C04 | C03 | C01 | C02 | 111.6° | 107.8° |
C04 | C03 | C08 | C02 | 149.2° | 145.6° |
C04 | C03 | C08 | N07 | 58.6° | 52.7° |
C04 | C03 | C01 | H011 | 1.8° | 144.7° |
C04 | C03 | C01 | H012 | 138.6° | 0.3° |
C04 | C03 | C02 | H021 | 6.0° | 0.2° |
C04 | C03 | C02 | H022 | 146.8° | 144.8° |
C03 | C04 | H042 | H041 | 115.6° | 120.5° |
C03 | C04 | C05 | H052 | 144.9° | 65.6° |
C03 | C04 | C05 | H051 | 97.2° | 174.2° |
C04 | C03 | C08 | H082 | 178.8° | 67.0° |
C04 | C03 | C08 | H081 | 61.7° | 172.6° |
C05 | C06 | N07 | H061 | 121.2° | 120.1° |
C05 | C06 | N07 | H062 | 121.2° | 120.1° |
C05 | C06 | N07 | C08 | 31.0° | 64.8° |
C05 | C06 | N07 | C09 | 129.1° | 171.1° |
C06 | C05 | C04 | H042 | 145.2° | 174.0° |
C06 | C05 | C04 | H041 | 97.5° | 65.5° |
C06 | C05 | H052 | H051 | 116.6° | 120.2° |
C05 | C06 | H061 | H062 | 116.1° | 119.7° |
C03 | C01 | C02 | H011 | 109.8° | 107.5° |
C03 | C01 | C02 | H012 | 109.8° | 107.4° |
C01 | C03 | C08 | C02 | 68.3° | 68.9° |
C01 | C03 | C08 | N07 | 159.0° | 92.7° |
C03 | C01 | H011 | H012 | 144.1° | 145.7° |
C03 | C01 | C02 | H021 | 109.6° | 107.5° |
C03 | C01 | C02 | H022 | 109.6° | 107.5° |
C01 | C03 | C04 | H042 | 49.5° | 25.8° |
C01 | C03 | C04 | H041 | 67.7° | 146.3° |
C01 | C03 | C08 | H082 | 38.7° | 147.5° |
C01 | C03 | C08 | H081 | 80.8° | 27.1° |
C02 | C01 | H011 | H012 | 144.2° | 145.8° |
C01 | C02 | H021 | H022 | 144.5° | 145.7° |
C03 | C08 | N07 | C06 | 51.3° | 58.0° |
C03 | C08 | N07 | H082 | 120.3° | 119.8° |
C03 | C08 | N07 | H081 | 120.3° | 119.9° |
C03 | C08 | N07 | C09 | 109.2° | 177.8° |
C08 | C03 | C01 | H011 | 142.9° | 0.3° |
C08 | C03 | C01 | H012 | 2.5° | 144.7° |
C08 | C03 | C02 | H021 | 140.6° | 144.8° |
C08 | C03 | C02 | H022 | 0.2° | 0.2° |
C08 | C03 | C04 | H042 | 166.3° | 171.2° |
C08 | C03 | C04 | H041 | 76.4° | 68.2° |
C03 | C08 | H082 | H081 | 119.2° | 120.3° |
C02 | C03 | C08 | N07 | 90.7° | 161.7° |
C03 | C02 | H021 | H022 | 144.5° | 145.7° |
C02 | C03 | C04 | H042 | 17.8° | 43.2° |
C02 | C03 | C04 | H041 | 135.0° | 77.4° |
C02 | C03 | C08 | H082 | 29.6° | 78.6° |
C02 | C03 | C08 | H081 | 149.1° | 41.8° |
C06 | N07 | C08 | C09 | 160.5° | 124.1° |
C06 | N07 | C09 | C17 | 33.6° | 56.0° |
C06 | N07 | C09 | N10 | 146.9° | 124.0° |
N07 | C06 | C05 | H052 | 137.5° | 57.7° |
N07 | C06 | C05 | H051 | 104.6° | 177.8° |
N07 | C06 | H061 | H062 | 116.1° | 119.8° |
C06 | N07 | C08 | H082 | 171.5° | 61.7° |
C06 | N07 | C08 | H081 | 69.0° | 177.9° |
C08 | N07 | C09 | C17 | 167.9° | 179.7° |
C08 | N07 | C09 | N10 | 11.6° | 0.2° |
C08 | N07 | C06 | H061 | 90.2° | 175.1° |
C08 | N07 | C06 | H062 | 152.2° | 55.3° |
N07 | C08 | H082 | H081 | 119.2° | 120.3° |
N07 | C09 | C17 | N10 | 179.6° | 180.0° |
N07 | C09 | C17 | C16 | 1.1° | 0.0° |
N07 | C09 | C17 | C13 | 179.8° | 180.0° |
N07 | C09 | N10 | C11 | 178.7° | 180.0° |
C09 | N07 | C06 | H061 | 109.7° | 51.0° |
C09 | N07 | C06 | H062 | 7.8° | 68.8° |
C09 | N07 | C08 | H082 | 11.1° | 62.4° |
C09 | N07 | C08 | H081 | 130.5° | 58.0° |
C09 | C17 | C16 | C13 | 179.2° | 180.0° |
C09 | C17 | C16 | C15 | 178.9° | 180.0° |
C17 | C09 | N10 | C11 | 1.7° | 0.1° |
C09 | C17 | C13 | N14 | 179.3° | 180.0° |
C09 | C17 | C13 | N12 | 0.7° | 0.1° |
C09 | C17 | C16 | H161 | 1.1° | 0.1° |
N10 | C09 | C17 | C16 | 178.5° | 180.0° |
N10 | C09 | C17 | C13 | 0.6° | 0.0° |
C09 | N10 | C11 | N12 | 1.6° | 0.1° |
C09 | N10 | C11 | H111 | 178.4° | 179.9° |
C17 | C16 | C15 | H161 | 180.0° | 179.9° |
C17 | C16 | C15 | N14 | 0.4° | 0.0° |
C16 | C17 | C13 | N14 | 0.0° | 0.0° |
C16 | C17 | C13 | N12 | 180.0° | 180.0° |
C17 | C16 | C15 | H151 | 179.7° | 179.9° |
C15 | C16 | C17 | C13 | 0.2° | 0.0° |
C16 | C15 | N14 | H151 | 180.0° | 179.9° |
C16 | C15 | N14 | C13 | 0.4° | 0.0° |
C16 | C15 | N14 | H141 | 179.7° | 180.0° |
C17 | C13 | N14 | C15 | 0.2° | 0.0° |
C17 | C13 | N14 | N12 | 179.9° | 179.9° |
C17 | C13 | N12 | C11 | 0.9° | 0.0° |
C13 | C17 | C16 | H161 | 179.8° | 180.0° |
C17 | C13 | N14 | H141 | 179.8° | 180.0° |
N10 | C11 | N12 | C13 | 0.2° | 0.0° |
N10 | C11 | N12 | H111 | 180.0° | 180.0° |
C15 | N14 | C13 | H141 | 180.0° | 179.9° |
C15 | N14 | C13 | N12 | 179.7° | 180.0° |
N14 | C15 | C16 | H161 | 179.6° | 180.0° |
N14 | C13 | N12 | C11 | 179.0° | 180.0° |
C13 | N14 | C15 | H151 | 179.7° | 179.9° |
C13 | N12 | C11 | H111 | 179.8° | 180.0° |
N12 | C13 | N14 | H141 | 0.3° | 0.1° |
H151 | C15 | C16 | H161 | 0.3° | 0.1° |
H151 | C15 | N14 | H141 | 0.3° | 0.1° |
H011 | C01 | C02 | H021 | 0.2° | 145.1° |
H011 | C01 | C02 | H022 | 140.6° | 0.0° |
H012 | C01 | C02 | H021 | 140.7° | 0.0° |
H012 | C01 | C02 | H022 | 0.2° | 145.1° |
H042 | C04 | C05 | H052 | 93.7° | 54.1° |
H042 | C04 | C05 | H051 | 24.2° | 66.1° |
H041 | C04 | C05 | H052 | 23.5° | 174.6° |
H041 | C04 | C05 | H051 | 141.4° | 54.5° |
H052 | C05 | C06 | H061 | 16.3° | 62.5° |
H052 | C05 | C06 | H062 | 101.2° | 177.8° |
H051 | C05 | C06 | H061 | 134.2° | 57.6° |
H051 | C05 | C06 | H062 | 16.6° | 62.1° |