RI7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O25 | C03 | doub | 1.21Å | 1.18Å | |
C01 | O02 | sing | 1.45Å | 1.39Å | |
C03 | O02 | sing | 1.34Å | 1.39Å | |
C03 | C04 | sing | 1.51Å | 1.52Å | |
O24 | C23 | sing | 1.43Å | 1.37Å | |
O24 | C05 | sing | 1.43Å | 1.36Å | |
C23 | C22 | sing | 1.53Å | 1.51Å | |
C04 | C05 | sing | 1.53Å | 1.55Å | |
C05 | C06 | sing | 1.53Å | 1.52Å | |
C22 | N07 | sing | 1.47Å | 1.47Å | |
C06 | N07 | sing | 1.47Å | 1.47Å | |
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 | 1.40Å | Aromatic |
C08 | N21 | doub | 1.33Å | 1.33Å | Aromatic |
C08 | C09 | sing | 1.40Å | 1.41Å | Aromatic |
C10 | C09 | sing | 1.47Å | 1.46Å | Aromatic |
C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
N21 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
C13 | F16 | sing | 1.35Å | 1.36Å | |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
C11 | N17 | sing | 1.39Å | 1.35Å | Aromatic |
C20 | N19 | doub | 1.32Å | 1.31Å | Aromatic |
C18 | N19 | sing | 1.33Å | 1.35Å | Aromatic |
C18 | N17 | sing | 1.37Å | 1.35Å | 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 | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C04 | H042 | 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 | H222 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
N17 | H171 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O25 | C03 | O02 | 119.7° | 120.0° |
O25 | C03 | C04 | 119.9° | 120.0° |
C01 | O02 | C03 | 111.7° | 117.0° |
O02 | C01 | H012 | 109.5° | 109.5° |
O02 | C01 | H013 | 109.5° | 109.6° |
O02 | C01 | H011 | 109.5° | 109.5° |
O02 | C03 | C04 | 120.5° | 120.0° |
C03 | C04 | C05 | 112.5° | 109.5° |
C03 | C04 | H041 | 108.7° | 109.5° |
C03 | C04 | H042 | 108.7° | 109.4° |
C23 | O24 | C05 | 121.0° | 113.8° |
O24 | C23 | C22 | 110.0° | 109.2° |
O24 | C23 | H231 | 109.3° | 109.5° |
O24 | C23 | H232 | 109.3° | 109.5° |
O24 | C05 | C04 | 108.7° | 109.6° |
O24 | C05 | C06 | 107.4° | 109.2° |
O24 | C05 | H051 | 110.8° | 109.6° |
C23 | C22 | N07 | 112.7° | 109.2° |
C23 | C22 | H222 | 108.6° | 109.5° |
C23 | C22 | H221 | 108.7° | 109.5° |
C22 | C23 | H231 | 109.3° | 109.5° |
C22 | C23 | H232 | 109.3° | 109.5° |
C04 | C05 | C06 | 113.4° | 109.5° |
C05 | C04 | H041 | 108.7° | 109.5° |
C05 | C04 | H042 | 108.7° | 109.4° |
C04 | C05 | H051 | 108.2° | 109.5° |
C05 | C06 | N07 | 116.8° | 109.3° |
C06 | C05 | H051 | 108.5° | 109.5° |
C05 | C06 | H061 | 107.6° | 109.5° |
C05 | C06 | H062 | 107.6° | 109.5° |
C22 | N07 | C06 | 107.6° | 110.8° |
C22 | N07 | C08 | 117.1° | 111.0° |
N07 | C22 | H222 | 108.7° | 109.5° |
N07 | C22 | H221 | 108.7° | 109.5° |
C06 | N07 | C08 | 115.3° | 111.0° |
N07 | C06 | H061 | 107.6° | 109.5° |
N07 | C06 | H062 | 107.6° | 109.5° |
N07 | C08 | N21 | 118.8° | 120.7° |
N07 | C08 | C09 | 121.0° | 120.8° |
C14 | C15 | C10 | 119.4° | 119.9° |
C15 | C14 | C13 | 120.6° | 120.2° |
C14 | C15 | H151 | 120.3° | 120.1° |
C15 | C14 | H141 | 119.7° | 119.9° |
C15 | C10 | C09 | 133.7° | 133.7° |
C15 | C10 | C11 | 119.9° | 120.0° |
C10 | C15 | H151 | 120.3° | 120.1° |
C14 | C13 | F16 | 120.1° | 119.7° |
C14 | C13 | C12 | 119.9° | 120.5° |
C13 | C14 | H141 | 119.7° | 119.9° |
N21 | C08 | C09 | 120.2° | 118.5° |
C08 | N21 | C20 | 120.2° | 120.9° |
C08 | C09 | C10 | 137.0° | 134.6° |
C08 | C09 | C18 | 117.3° | 118.8° |
C09 | C10 | C11 | 106.4° | 106.3° |
C10 | C09 | C18 | 105.8° | 106.6° |
C10 | C11 | C12 | 120.3° | 119.4° |
C10 | C11 | N17 | 108.5° | 108.3° |
N21 | C20 | N19 | 121.6° | 122.6° |
N21 | C20 | H201 | 119.2° | 118.7° |
F16 | C13 | C12 | 120.0° | 119.8° |
C13 | C12 | C11 | 119.8° | 120.1° |
C13 | C12 | H121 | 120.1° | 119.9° |
C09 | C18 | N19 | 119.3° | 118.4° |
C09 | C18 | N17 | 109.1° | 108.5° |
C12 | C11 | N17 | 131.1° | 132.3° |
C11 | C12 | H121 | 120.1° | 120.0° |
C11 | N17 | C18 | 110.2° | 110.4° |
C11 | N17 | H171 | 124.9° | 124.8° |
C20 | N19 | C18 | 121.5° | 120.8° |
N19 | C20 | H201 | 119.2° | 118.7° |
N19 | C18 | N17 | 131.6° | 133.2° |
C18 | N17 | H171 | 124.9° | 124.8° |
H012 | C01 | H013 | 109.4° | 109.4° |
H012 | C01 | H011 | 109.4° | 109.4° |
H013 | C01 | H011 | 109.5° | 109.5° |
H041 | C04 | H042 | 109.5° | 109.5° |
H061 | C06 | H062 | 109.5° | 109.5° |
H222 | C22 | H221 | 109.5° | 109.6° |
H231 | C23 | H232 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O25 | C03 | O02 | C01 | 74.3° | 0.1° |
O25 | C03 | O02 | C04 | 179.3° | 179.9° |
O25 | C03 | C04 | C05 | 116.8° | 0.0° |
O25 | C03 | C04 | H041 | 122.7° | 120.0° |
O25 | C03 | C04 | H042 | 3.6° | 120.0° |
C01 | O02 | C03 | C04 | 105.0° | 180.0° |
O02 | C01 | H012 | H013 | 120.0° | 120.1° |
O02 | C01 | H012 | H011 | 120.0° | 120.0° |
O02 | C01 | H013 | H011 | 120.0° | 120.1° |
O02 | C03 | C04 | C05 | 62.5° | 180.0° |
C03 | O02 | C01 | H012 | 180.0° | 60.1° |
C03 | O02 | C01 | H013 | 60.0° | 59.9° |
C03 | O02 | C01 | H011 | 60.0° | 180.0° |
O02 | C03 | C04 | H041 | 58.0° | 59.9° |
O02 | C03 | C04 | H042 | 177.1° | 60.1° |
C03 | C04 | C05 | O24 | 123.2° | 65.2° |
C03 | C04 | C05 | H041 | 120.5° | 120.1° |
C03 | C04 | C05 | H042 | 120.4° | 119.9° |
C03 | C04 | C05 | C06 | 117.4° | 175.1° |
C03 | C04 | H041 | H042 | 118.6° | 120.0° |
C03 | C04 | C05 | H051 | 2.9° | 55.0° |
O24 | C23 | C22 | H231 | 120.1° | 119.9° |
O24 | C23 | C22 | H232 | 120.1° | 119.9° |
C23 | O24 | C05 | C04 | 64.1° | 178.6° |
C23 | O24 | C05 | C06 | 58.9° | 58.6° |
O24 | C23 | C22 | N07 | 40.1° | 56.8° |
C23 | O24 | C05 | H051 | 177.2° | 61.3° |
O24 | C23 | C22 | H222 | 80.3° | 63.1° |
O24 | C23 | C22 | H221 | 160.6° | 176.8° |
O24 | C23 | H231 | H232 | 119.8° | 120.1° |
C05 | O24 | C23 | C22 | 22.4° | 58.7° |
O24 | C05 | C04 | C06 | 119.3° | 119.8° |
O24 | C05 | C04 | H051 | 120.3° | 120.2° |
O24 | C05 | C06 | H051 | 119.7° | 120.0° |
O24 | C05 | C06 | N07 | 34.0° | 56.9° |
O24 | C05 | C04 | H041 | 116.3° | 174.8° |
O24 | C05 | C04 | H042 | 2.8° | 54.7° |
O24 | C05 | C06 | H061 | 87.1° | 176.8° |
O24 | C05 | C06 | H062 | 155.0° | 63.1° |
C05 | O24 | C23 | H231 | 97.6° | 61.3° |
C05 | O24 | C23 | H232 | 142.5° | 178.6° |
C23 | C22 | N07 | H222 | 120.5° | 120.0° |
C23 | C22 | N07 | H221 | 120.5° | 119.9° |
C23 | C22 | N07 | C06 | 58.2° | 58.7° |
C23 | C22 | N07 | C08 | 170.1° | 177.5° |
C23 | C22 | H222 | H221 | 118.5° | 120.1° |
C22 | C23 | H231 | H232 | 119.8° | 120.2° |
C04 | C05 | C06 | H051 | 120.2° | 120.1° |
C04 | C05 | C06 | N07 | 86.1° | 176.8° |
C05 | C04 | H041 | H042 | 118.6° | 120.0° |
C04 | C05 | C06 | H061 | 152.9° | 63.3° |
C04 | C05 | C06 | H062 | 35.0° | 56.8° |
C05 | C06 | N07 | C22 | 20.0° | 58.7° |
C05 | C06 | N07 | H061 | 121.1° | 119.9° |
C05 | C06 | N07 | H062 | 121.1° | 120.0° |
C05 | C06 | N07 | C08 | 152.8° | 177.6° |
C06 | C05 | C04 | H041 | 3.0° | 55.0° |
C06 | C05 | C04 | H042 | 122.1° | 65.0° |
C05 | C06 | H061 | H062 | 116.7° | 120.1° |
C22 | N07 | C06 | C08 | 132.8° | 123.8° |
C22 | N07 | C08 | N21 | 22.1° | 62.1° |
C22 | N07 | C08 | C09 | 159.9° | 118.9° |
C22 | N07 | C06 | H061 | 141.1° | 178.5° |
C22 | N07 | C06 | H062 | 101.0° | 61.3° |
N07 | C22 | H222 | H221 | 118.5° | 120.1° |
N07 | C22 | C23 | H231 | 160.2° | 63.0° |
N07 | C22 | C23 | H232 | 79.9° | 176.8° |
C06 | N07 | C08 | N21 | 106.1° | 61.6° |
C06 | N07 | C08 | C09 | 71.9° | 117.5° |
N07 | C06 | C05 | H051 | 153.7° | 63.1° |
N07 | C06 | H061 | H062 | 116.7° | 120.2° |
C06 | N07 | C22 | H222 | 62.3° | 61.3° |
C06 | N07 | C22 | H221 | 178.7° | 178.6° |
N07 | C08 | N21 | C09 | 178.0° | 179.1° |
N07 | C08 | C09 | C10 | 1.9° | 0.3° |
N07 | C08 | N21 | C20 | 178.8° | 180.0° |
N07 | C08 | C09 | C18 | 178.7° | 179.7° |
C08 | N07 | C06 | H061 | 86.1° | 57.7° |
C08 | N07 | C06 | H062 | 31.7° | 62.5° |
C08 | N07 | C22 | H222 | 69.5° | 62.5° |
C08 | N07 | C22 | H221 | 49.6° | 57.7° |
C14 | C15 | C10 | H151 | 180.0° | 180.0° |
C15 | C14 | C13 | H141 | 180.0° | 180.0° |
C14 | C15 | C10 | C09 | 179.9° | 180.0° |
C14 | C15 | C10 | C11 | 0.1° | 0.1° |
C15 | C14 | C13 | F16 | 179.7° | 180.0° |
C15 | C14 | C13 | C12 | 0.3° | 0.3° |
C10 | C15 | C14 | C13 | 0.2° | 0.0° |
C15 | C10 | C09 | C08 | 0.4° | 0.0° |
C15 | C10 | C09 | C11 | 179.8° | 179.9° |
C15 | C10 | C09 | C18 | 179.9° | 180.0° |
C15 | C10 | C11 | C12 | 0.3° | 0.0° |
C15 | C10 | C11 | N17 | 179.9° | 179.9° |
C10 | C15 | C14 | H141 | 179.7° | 180.0° |
C14 | C13 | F16 | C12 | 180.0° | 179.7° |
C14 | C13 | C12 | C11 | 0.0° | 0.4° |
C13 | C14 | C15 | H151 | 179.7° | 180.0° |
C14 | C13 | C12 | H121 | 180.0° | 180.0° |
N21 | C08 | C09 | C10 | 179.8° | 179.4° |
N21 | C08 | C09 | C18 | 0.7° | 0.6° |
C08 | N21 | C20 | N19 | 0.6° | 0.6° |
C08 | N21 | C20 | H201 | 179.4° | 179.4° |
C08 | C09 | C10 | C18 | 179.5° | 180.0° |
C08 | C09 | C10 | C11 | 179.4° | 179.9° |
C09 | C08 | N21 | C20 | 0.8° | 0.9° |
C08 | C09 | C18 | N19 | 0.4° | 0.0° |
C08 | C09 | C18 | N17 | 179.7° | 179.8° |
C09 | C10 | C11 | C12 | 179.8° | 179.9° |
C09 | C10 | C11 | N17 | 0.2° | 0.0° |
C10 | C09 | C18 | N19 | 180.0° | 180.0° |
C10 | C09 | C18 | N17 | 0.1° | 0.2° |
C09 | C10 | C15 | H151 | 0.1° | 0.0° |
C10 | C11 | C12 | C13 | 0.3° | 0.3° |
C11 | C10 | C09 | C18 | 0.1° | 0.1° |
C10 | C11 | C12 | N17 | 179.5° | 179.8° |
C10 | C11 | N17 | C18 | 0.2° | 0.2° |
C11 | C10 | C15 | H151 | 179.9° | 179.9° |
C10 | C11 | C12 | H121 | 179.7° | 179.9° |
C10 | C11 | N17 | H171 | 179.8° | 179.8° |
N21 | C20 | N19 | H201 | 180.0° | 179.9° |
N21 | C20 | N19 | C18 | 0.3° | 0.1° |
F16 | C13 | C12 | C11 | 180.0° | 179.9° |
F16 | C13 | C14 | H141 | 0.3° | 0.0° |
F16 | C13 | C12 | H121 | 0.0° | 0.3° |
C13 | C12 | C11 | H121 | 180.0° | 179.6° |
C13 | C12 | C11 | N17 | 179.8° | 179.9° |
C12 | C13 | C14 | H141 | 179.7° | 179.7° |
C09 | C18 | N17 | C11 | 0.2° | 0.2° |
C09 | C18 | N19 | C20 | 0.2° | 0.4° |
C09 | C18 | N19 | N17 | 179.9° | 179.7° |
C09 | C18 | N17 | H171 | 179.8° | 179.7° |
C12 | C11 | N17 | C18 | 179.8° | 180.0° |
C12 | C11 | N17 | H171 | 0.3° | 0.0° |
C11 | N17 | C18 | N19 | 179.9° | 180.0° |
C11 | N17 | C18 | H171 | 180.0° | 179.9° |
N17 | C11 | C12 | H121 | 0.2° | 0.3° |
C20 | N19 | C18 | N17 | 179.9° | 179.9° |
C18 | N19 | C20 | H201 | 179.7° | 180.0° |
N19 | C18 | N17 | H171 | 0.1° | 0.1° |
H151 | C15 | C14 | H141 | 0.3° | 0.0° |
H012 | C01 | H013 | H011 | 120.0° | 119.9° |
H041 | C04 | C05 | H051 | 123.4° | 65.0° |
H042 | C04 | C05 | H051 | 117.5° | 174.9° |
H051 | C05 | C06 | H061 | 32.6° | 56.8° |
H051 | C05 | C06 | H062 | 85.2° | 176.9° |
H222 | C22 | C23 | H231 | 39.7° | 177.0° |
H222 | C22 | C23 | H232 | 159.6° | 56.8° |
H221 | C22 | C23 | H231 | 79.3° | 56.9° |
H221 | C22 | C23 | H232 | 40.6° | 63.3° |