RIK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O25 | C02 | doub | 1.21Å | 1.26Å | |
C02 | O01 | sing | 1.34Å | 1.26Å | |
C02 | C03 | sing | 1.51Å | 1.53Å | |
C03 | C04 | sing | 1.53Å | 1.53Å | |
O24 | C23 | sing | 1.43Å | 1.41Å | |
O24 | C05 | sing | 1.43Å | 1.42Å | |
C04 | C05 | sing | 1.53Å | 1.51Å | |
C23 | C22 | sing | 1.53Å | 1.53Å | |
C05 | C06 | sing | 1.53Å | 1.52Å | |
C22 | N07 | sing | 1.47Å | 1.43Å | |
C06 | N07 | sing | 1.47Å | 1.42Å | |
N07 | C08 | sing | 1.38Å | 1.45Å | |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C08 | N21 | doub | 1.33Å | 1.33Å | Aromatic |
C08 | C09 | sing | 1.40Å | 1.41Å | Aromatic |
C10 | C09 | sing | 1.47Å | 1.44Å | Aromatic |
C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
C13 | F16 | sing | 1.35Å | 1.35Å | |
C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
N21 | C20 | sing | 1.32Å | 1.32Å | Aromatic |
C09 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | N17 | sing | 1.39Å | 1.33Å | Aromatic |
C20 | N19 | doub | 1.32Å | 1.30Å | Aromatic |
C18 | N17 | sing | 1.37Å | 1.33Å | Aromatic |
C18 | N19 | sing | 1.33Å | 1.33Å | Aromatic |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C12 | H121 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C03 | H032 | 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 | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
N17 | H171 | sing | 0.97Å | 1.00Å | |
O01 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O25 | C02 | O01 | 119.6° | 120.0° |
O25 | C02 | C03 | 120.1° | 120.1° |
O01 | C02 | C03 | 120.3° | 120.0° |
C02 | O01 | H1 | 109.5° | 117.0° |
C02 | C03 | C04 | 114.8° | 109.5° |
C02 | C03 | H031 | 108.1° | 109.4° |
C02 | C03 | H032 | 108.1° | 109.5° |
C03 | C04 | C05 | 108.0° | 109.5° |
C04 | C03 | H031 | 108.1° | 109.5° |
C04 | C03 | H032 | 108.1° | 109.5° |
C03 | C04 | H042 | 109.8° | 109.4° |
C03 | C04 | H041 | 109.8° | 109.5° |
C23 | O24 | C05 | 108.3° | 113.7° |
O24 | C23 | C22 | 110.8° | 109.2° |
O24 | C23 | H232 | 109.2° | 109.5° |
O24 | C23 | H231 | 109.2° | 109.5° |
O24 | C05 | C04 | 107.0° | 109.5° |
O24 | C05 | C06 | 110.9° | 109.3° |
O24 | C05 | H051 | 109.3° | 109.6° |
C04 | C05 | C06 | 113.8° | 109.5° |
C05 | C04 | H042 | 109.9° | 109.5° |
C05 | C04 | H041 | 109.8° | 109.5° |
C04 | C05 | H051 | 108.0° | 109.5° |
C23 | C22 | N07 | 111.0° | 109.2° |
C23 | C22 | H221 | 109.1° | 109.5° |
C23 | C22 | H222 | 109.1° | 109.5° |
C22 | C23 | H232 | 109.1° | 109.5° |
C22 | C23 | H231 | 109.1° | 109.5° |
C05 | C06 | N07 | 103.7° | 109.2° |
C06 | C05 | H051 | 107.8° | 109.5° |
C05 | C06 | H061 | 110.9° | 109.5° |
C05 | C06 | H062 | 110.9° | 109.5° |
C22 | N07 | C06 | 111.0° | 110.8° |
C22 | N07 | C08 | 117.8° | 111.0° |
N07 | C22 | H221 | 109.1° | 109.5° |
N07 | C22 | H222 | 109.1° | 109.5° |
C06 | N07 | C08 | 114.9° | 111.0° |
N07 | C06 | H061 | 110.9° | 109.5° |
N07 | C06 | H062 | 110.9° | 109.5° |
N07 | C08 | N21 | 118.9° | 120.7° |
N07 | C08 | C09 | 120.7° | 120.7° |
C14 | C15 | C10 | 120.0° | 119.8° |
C15 | C14 | C13 | 119.4° | 120.2° |
C14 | C15 | H151 | 120.0° | 120.0° |
C15 | C14 | H141 | 120.3° | 119.9° |
C15 | C10 | C09 | 135.1° | 133.7° |
C15 | C10 | C11 | 119.0° | 120.0° |
C10 | C15 | H151 | 120.0° | 120.1° |
C14 | C13 | F16 | 119.1° | 119.7° |
C14 | C13 | C12 | 121.6° | 120.5° |
C13 | C14 | H141 | 120.3° | 119.9° |
N21 | C08 | C09 | 120.4° | 118.5° |
C08 | N21 | C20 | 120.0° | 120.9° |
C08 | C09 | C10 | 138.3° | 134.7° |
C08 | C09 | C18 | 116.4° | 118.7° |
C09 | C10 | C11 | 106.0° | 106.3° |
C10 | C09 | C18 | 105.3° | 106.6° |
C10 | C11 | C12 | 121.1° | 119.4° |
C10 | C11 | N17 | 108.8° | 108.3° |
F16 | C13 | C12 | 119.4° | 119.7° |
C13 | C12 | C11 | 118.9° | 120.0° |
C13 | C12 | H121 | 120.5° | 120.0° |
N21 | C20 | N19 | 121.6° | 122.6° |
N21 | C20 | H201 | 119.2° | 118.7° |
C09 | C18 | N17 | 109.6° | 108.4° |
C09 | C18 | N19 | 119.6° | 118.4° |
C12 | C11 | N17 | 130.0° | 132.3° |
C11 | C12 | H121 | 120.6° | 120.0° |
C11 | N17 | C18 | 110.3° | 110.4° |
C11 | N17 | H171 | 124.8° | 124.8° |
C20 | N19 | C18 | 122.0° | 120.8° |
N19 | C20 | H201 | 119.2° | 118.7° |
N17 | C18 | N19 | 130.8° | 133.2° |
C18 | N17 | H171 | 124.9° | 124.8° |
H031 | C03 | H032 | 109.5° | 109.4° |
H042 | C04 | H041 | 109.5° | 109.5° |
H061 | C06 | H062 | 109.5° | 109.6° |
H221 | C22 | H222 | 109.5° | 109.5° |
H232 | C23 | H231 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O25 | C02 | O01 | C03 | 179.2° | 179.9° |
O25 | C02 | C03 | C04 | 93.2° | 0.1° |
O25 | C02 | C03 | H031 | 27.6° | 120.0° |
O25 | C02 | C03 | H032 | 146.1° | 120.0° |
O25 | C02 | O01 | H1 | 0.0° | 0.1° |
O01 | C02 | C03 | C04 | 87.6° | 180.0° |
O01 | C02 | C03 | H031 | 151.6° | 60.1° |
O01 | C02 | C03 | H032 | 33.1° | 59.9° |
C02 | C03 | C04 | H031 | 120.7° | 120.0° |
C02 | C03 | C04 | H032 | 120.7° | 120.1° |
C02 | C03 | C04 | C05 | 71.9° | 180.0° |
C02 | C03 | H031 | H032 | 117.6° | 120.0° |
C02 | C03 | C04 | H042 | 47.9° | 60.0° |
C02 | C03 | C04 | H041 | 168.4° | 59.9° |
C03 | C02 | O01 | H1 | 179.3° | 180.0° |
C03 | C04 | C05 | O24 | 88.8° | 65.2° |
C03 | C04 | C05 | H042 | 119.8° | 120.0° |
C03 | C04 | C05 | H041 | 119.8° | 120.0° |
C03 | C04 | C05 | C06 | 148.4° | 175.0° |
C04 | C03 | H031 | H032 | 117.6° | 120.0° |
C03 | C04 | H042 | H041 | 120.7° | 120.0° |
C03 | C04 | C05 | H051 | 28.8° | 55.0° |
C23 | O24 | C05 | C04 | 170.5° | 178.6° |
O24 | C23 | C22 | H232 | 120.2° | 119.9° |
O24 | C23 | C22 | H231 | 120.2° | 120.0° |
C23 | O24 | C05 | C06 | 64.9° | 58.7° |
O24 | C23 | C22 | N07 | 52.5° | 56.9° |
C23 | O24 | C05 | H051 | 53.8° | 61.2° |
O24 | C23 | C22 | H221 | 172.7° | 176.8° |
O24 | C23 | C22 | H222 | 67.8° | 63.1° |
O24 | C23 | H232 | H231 | 119.4° | 120.1° |
O24 | C05 | C04 | C06 | 122.8° | 119.8° |
O24 | C05 | C04 | H051 | 117.5° | 120.2° |
C05 | O24 | C23 | C22 | 55.3° | 58.7° |
O24 | C05 | C06 | H051 | 119.6° | 120.0° |
O24 | C05 | C06 | N07 | 67.4° | 56.9° |
O24 | C05 | C04 | H042 | 31.0° | 54.7° |
O24 | C05 | C04 | H041 | 151.4° | 174.8° |
O24 | C05 | C06 | H061 | 51.7° | 63.1° |
O24 | C05 | C06 | H062 | 173.5° | 176.8° |
C05 | O24 | C23 | H232 | 64.8° | 178.6° |
C05 | O24 | C23 | H231 | 175.5° | 61.3° |
C04 | C05 | C06 | H051 | 119.7° | 120.1° |
C04 | C05 | C06 | N07 | 171.9° | 176.8° |
C05 | C04 | C03 | H031 | 167.4° | 60.0° |
C05 | C04 | C03 | H032 | 48.9° | 60.0° |
C05 | C04 | H042 | H041 | 120.6° | 120.0° |
C04 | C05 | C06 | H061 | 69.0° | 56.9° |
C04 | C05 | C06 | H062 | 52.8° | 63.3° |
C23 | C22 | N07 | H221 | 120.2° | 119.9° |
C23 | C22 | N07 | H222 | 120.2° | 120.0° |
C23 | C22 | N07 | C06 | 57.9° | 58.6° |
C23 | C22 | N07 | C08 | 166.7° | 177.6° |
C23 | C22 | H221 | H222 | 119.3° | 120.1° |
C22 | C23 | H232 | H231 | 119.4° | 120.1° |
C05 | C06 | N07 | C22 | 62.6° | 58.6° |
C05 | C06 | N07 | H061 | 119.1° | 119.9° |
C05 | C06 | N07 | H062 | 119.1° | 119.9° |
C05 | C06 | N07 | C08 | 160.6° | 177.6° |
C06 | C05 | C04 | H042 | 91.8° | 65.0° |
C06 | C05 | C04 | H041 | 28.6° | 55.0° |
C05 | C06 | H061 | H062 | 122.7° | 120.1° |
C22 | N07 | C06 | C08 | 136.8° | 123.7° |
C22 | N07 | C08 | N21 | 120.0° | 62.0° |
C22 | N07 | C08 | C09 | 61.6° | 118.6° |
C22 | N07 | C06 | H061 | 56.5° | 61.3° |
C22 | N07 | C06 | H062 | 178.3° | 178.5° |
N07 | C22 | H221 | H222 | 119.3° | 120.1° |
N07 | C22 | C23 | H232 | 67.7° | 176.8° |
N07 | C22 | C23 | H231 | 172.7° | 63.1° |
C06 | N07 | C08 | N21 | 13.7° | 61.6° |
C06 | N07 | C08 | C09 | 164.7° | 117.7° |
N07 | C06 | C05 | H051 | 52.1° | 63.1° |
N07 | C06 | H061 | H062 | 122.6° | 120.2° |
C06 | N07 | C22 | H221 | 178.1° | 178.6° |
C06 | N07 | C22 | H222 | 62.3° | 61.3° |
N07 | C08 | N21 | C09 | 178.5° | 179.4° |
N07 | C08 | C09 | C10 | 0.5° | 0.4° |
N07 | C08 | N21 | C20 | 179.4° | 180.0° |
N07 | C08 | C09 | C18 | 179.1° | 179.6° |
C08 | N07 | C06 | H061 | 80.3° | 62.5° |
C08 | N07 | C06 | H062 | 41.5° | 57.7° |
C08 | N07 | C22 | H221 | 46.5° | 57.7° |
C08 | N07 | C22 | H222 | 73.1° | 62.4° |
C14 | C15 | C10 | H151 | 180.0° | 180.0° |
C15 | C14 | C13 | H141 | 180.0° | 180.0° |
C14 | C15 | C10 | C09 | 179.5° | 180.0° |
C14 | C15 | C10 | C11 | 0.1° | 0.3° |
C15 | C14 | C13 | F16 | 179.9° | 180.0° |
C15 | C14 | C13 | C12 | 0.1° | 0.4° |
C10 | C15 | C14 | C13 | 0.2° | 0.0° |
C15 | C10 | C09 | C08 | 0.3° | 0.0° |
C15 | C10 | C09 | C11 | 179.6° | 179.7° |
C15 | C10 | C09 | C18 | 180.0° | 180.0° |
C15 | C10 | C11 | C12 | 0.5° | 0.1° |
C15 | C10 | C11 | N17 | 179.8° | 179.8° |
C10 | C15 | C14 | H141 | 179.8° | 179.9° |
C14 | C13 | F16 | C12 | 179.8° | 179.6° |
C14 | C13 | C12 | C11 | 0.3° | 0.6° |
C13 | C14 | C15 | H151 | 179.8° | 180.0° |
C14 | C13 | C12 | H121 | 179.7° | 180.0° |
N21 | C08 | C09 | C10 | 178.9° | 179.8° |
N21 | C08 | C09 | C18 | 0.7° | 0.2° |
C08 | N21 | C20 | N19 | 0.3° | 0.5° |
C08 | N21 | C20 | H201 | 179.7° | 179.6° |
C08 | C09 | C10 | C18 | 179.7° | 180.0° |
C08 | C09 | C10 | C11 | 179.9° | 179.8° |
C09 | C08 | N21 | C20 | 0.9° | 0.6° |
C08 | C09 | C18 | N17 | 179.6° | 180.0° |
C08 | C09 | C18 | N19 | 0.1° | 0.2° |
C09 | C10 | C11 | C12 | 179.1° | 179.9° |
C09 | C10 | C11 | N17 | 0.1° | 0.4° |
C10 | C09 | C18 | N17 | 0.6° | 0.0° |
C10 | C09 | C18 | N19 | 179.9° | 179.7° |
C09 | C10 | C15 | H151 | 0.5° | 0.0° |
C10 | C11 | C12 | C13 | 0.6° | 0.3° |
C11 | C10 | C09 | C18 | 0.4° | 0.3° |
C10 | C11 | C12 | N17 | 179.1° | 179.5° |
C10 | C11 | N17 | C18 | 0.3° | 0.5° |
C11 | C10 | C15 | H151 | 179.9° | 179.7° |
C10 | C11 | C12 | H121 | 179.4° | 179.7° |
C10 | C11 | N17 | H171 | 179.7° | 179.5° |
F16 | C13 | C12 | C11 | 179.5° | 179.8° |
F16 | C13 | C14 | H141 | 0.1° | 0.0° |
F16 | C13 | C12 | H121 | 0.5° | 0.4° |
C13 | C12 | C11 | H121 | 180.0° | 179.4° |
C13 | C12 | C11 | N17 | 179.7° | 179.2° |
C12 | C13 | C14 | H141 | 179.9° | 179.6° |
N21 | C20 | N19 | H201 | 180.0° | 180.0° |
N21 | C20 | N19 | C18 | 0.5° | 0.0° |
C09 | C18 | N17 | C11 | 0.6° | 0.3° |
C09 | C18 | N19 | C20 | 0.7° | 0.3° |
C09 | C18 | N17 | N19 | 179.5° | 179.7° |
C09 | C18 | N17 | H171 | 179.4° | 179.7° |
C12 | C11 | N17 | C18 | 179.4° | 180.0° |
C12 | C11 | N17 | H171 | 0.6° | 0.1° |
C11 | N17 | C18 | H171 | 180.0° | 180.0° |
C11 | N17 | C18 | N19 | 180.0° | 180.0° |
N17 | C11 | C12 | H121 | 0.3° | 0.2° |
C20 | N19 | C18 | N17 | 179.9° | 180.0° |
C18 | N19 | C20 | H201 | 179.5° | 180.0° |
N19 | C18 | N17 | H171 | 0.0° | 0.0° |
H151 | C15 | C14 | H141 | 0.2° | 0.0° |
H031 | C03 | C04 | H042 | 72.8° | 180.0° |
H031 | C03 | C04 | H041 | 47.6° | 60.0° |
H032 | C03 | C04 | H042 | 168.7° | 60.0° |
H032 | C03 | C04 | H041 | 70.9° | 180.0° |
H042 | C04 | C05 | H051 | 148.5° | 174.9° |
H041 | C04 | C05 | H051 | 91.0° | 65.0° |
H051 | C05 | C06 | H061 | 171.2° | 176.9° |
H051 | C05 | C06 | H062 | 66.9° | 56.8° |
H221 | C22 | C23 | H232 | 52.5° | 63.3° |
H221 | C22 | C23 | H231 | 67.1° | 56.8° |
H222 | C22 | C23 | H232 | 172.1° | 56.8° |
H222 | C22 | C23 | H231 | 52.4° | 176.9° |