FN9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | N14 | sing | 1.47Å | 1.50Å | |
C13 | N14 | sing | 1.36Å | 1.33Å | Aromatic |
C13 | C12 | doub | 1.35Å | 1.40Å | Aromatic |
N14 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
C12 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
C16 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
C16 | C17 | sing | 1.41Å | 1.51Å | |
O18 | C17 | doub | 1.22Å | 1.16Å | |
C11 | N10 | sing | 1.35Å | 1.45Å | |
C17 | N19 | sing | 1.35Å | 1.40Å | |
N10 | C09 | doub | 1.31Å | 1.45Å | |
N19 | C09 | sing | 1.36Å | 1.43Å | |
N19 | C20 | sing | 1.46Å | 1.45Å | |
C09 | N08 | sing | 1.37Å | 1.48Å | |
C07 | C06 | sing | 1.53Å | 1.54Å | |
C07 | N02 | sing | 1.47Å | 1.43Å | |
N08 | C06 | sing | 1.46Å | 1.51Å | |
C01 | N02 | sing | 1.47Å | 1.25Å | |
C06 | C05 | sing | 1.53Å | 1.45Å | |
N02 | C03 | sing | 1.47Å | 1.45Å | |
C05 | C04 | sing | 1.53Å | 1.39Å | |
C03 | C04 | sing | 1.53Å | 1.55Å | |
C04 | C21 | sing | 1.51Å | 1.58Å | |
C21 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
C23 | C24 | sing | 1.38Å | 1.36Å | Aromatic |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H153 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C20 | H203 | sing | 1.09Å | 1.10Å | |
C20 | H202 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.08Å | 1.08Å | |
C24 | H241 | sing | 1.08Å | 1.08Å | |
C26 | H261 | sing | 1.08Å | 1.08Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C03 | H032 | sing | 1.09Å | 1.10Å | |
C03 | H031 | 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 | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C07 | H071 | sing | 1.09Å | 1.10Å | |
C07 | H072 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.08Å | 1.08Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
C25 | H251 | sing | 1.08Å | 1.08Å | |
N08 | H081 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | N14 | C13 | 127.8° | 125.6° |
C15 | N14 | C16 | 123.7° | 125.6° |
N14 | C15 | H151 | 109.5° | 109.5° |
N14 | C15 | H153 | 109.5° | 109.4° |
N14 | C15 | H152 | 109.5° | 109.5° |
N14 | C13 | C12 | 109.3° | 109.5° |
C13 | N14 | C16 | 108.5° | 108.7° |
N14 | C13 | H131 | 125.4° | 125.2° |
C13 | C12 | C11 | 105.9° | 107.9° |
C12 | C13 | H131 | 125.3° | 125.2° |
C13 | C12 | H121 | 127.0° | 126.0° |
N14 | C16 | C11 | 108.8° | 107.2° |
N14 | C16 | C17 | 129.3° | 134.0° |
C12 | C11 | C16 | 107.5° | 106.6° |
C12 | C11 | N10 | 131.6° | 133.9° |
C11 | C12 | H121 | 127.0° | 126.0° |
C11 | C16 | C17 | 121.8° | 118.8° |
C16 | C11 | N10 | 120.9° | 119.5° |
C16 | C17 | O18 | 119.6° | 120.8° |
C16 | C17 | N19 | 117.7° | 118.5° |
O18 | C17 | N19 | 122.7° | 120.7° |
C11 | N10 | C09 | 116.7° | 121.0° |
C17 | N19 | C09 | 119.7° | 120.5° |
C17 | N19 | C20 | 121.0° | 119.8° |
N10 | C09 | N19 | 123.1° | 121.8° |
N10 | C09 | N08 | 117.7° | 119.1° |
C09 | N19 | C20 | 119.3° | 119.8° |
N19 | C09 | N08 | 119.3° | 119.1° |
N19 | C20 | H201 | 109.5° | 109.5° |
N19 | C20 | H203 | 109.5° | 109.4° |
N19 | C20 | H202 | 109.4° | 109.5° |
C09 | N08 | C06 | 117.5° | 120.0° |
C09 | N08 | H081 | 121.3° | 119.9° |
C06 | C07 | N02 | 116.2° | 109.5° |
C07 | C06 | N08 | 100.6° | 109.5° |
C07 | C06 | C05 | 108.4° | 109.3° |
C07 | C06 | H061 | 111.6° | 109.5° |
C06 | C07 | H071 | 107.8° | 109.4° |
C06 | C07 | H072 | 107.8° | 109.5° |
C07 | N02 | C01 | 115.3° | 111.0° |
C07 | N02 | C03 | 111.2° | 111.2° |
N02 | C07 | H071 | 107.8° | 109.4° |
N02 | C07 | H072 | 107.8° | 109.5° |
N08 | C06 | C05 | 110.3° | 109.5° |
N08 | C06 | H061 | 112.1° | 109.5° |
C06 | N08 | H081 | 121.3° | 120.0° |
C01 | N02 | C03 | 115.6° | 111.0° |
N02 | C01 | H013 | 109.5° | 109.5° |
N02 | C01 | H012 | 109.5° | 109.4° |
N02 | C01 | H011 | 109.5° | 109.5° |
C06 | C05 | C04 | 108.7° | 109.2° |
C06 | C05 | H051 | 109.7° | 109.5° |
C06 | C05 | H052 | 109.7° | 109.5° |
C05 | C06 | H061 | 113.1° | 109.5° |
N02 | C03 | C04 | 110.1° | 109.6° |
N02 | C03 | H032 | 109.3° | 109.4° |
N02 | C03 | H031 | 109.3° | 109.5° |
C05 | C04 | C03 | 109.2° | 109.3° |
C05 | C04 | C21 | 108.0° | 109.5° |
C05 | C04 | H041 | 111.9° | 109.5° |
C04 | C05 | H051 | 109.7° | 109.5° |
C04 | C05 | H052 | 109.7° | 109.5° |
C03 | C04 | C21 | 108.8° | 109.5° |
C04 | C03 | H032 | 109.3° | 109.4° |
C04 | C03 | H031 | 109.3° | 109.5° |
C03 | C04 | H041 | 109.6° | 109.5° |
C04 | C21 | C26 | 119.0° | 120.0° |
C04 | C21 | C22 | 119.3° | 120.0° |
C21 | C04 | H041 | 109.3° | 109.5° |
C26 | C21 | C22 | 121.7° | 119.9° |
C21 | C26 | C25 | 119.1° | 120.0° |
C21 | C26 | H261 | 120.5° | 120.0° |
C21 | C22 | C23 | 119.5° | 120.0° |
C21 | C22 | H221 | 120.2° | 120.0° |
C26 | C25 | C24 | 118.8° | 120.0° |
C25 | C26 | H261 | 120.5° | 120.0° |
C26 | C25 | H251 | 120.6° | 120.0° |
C22 | C23 | C24 | 118.9° | 120.0° |
C23 | C22 | H221 | 120.3° | 120.0° |
C22 | C23 | H231 | 120.6° | 120.0° |
C25 | C24 | C23 | 122.1° | 120.0° |
C25 | C24 | H241 | 119.0° | 120.0° |
C24 | C25 | H251 | 120.6° | 120.0° |
C23 | C24 | H241 | 119.0° | 120.0° |
C24 | C23 | H231 | 120.5° | 120.0° |
H151 | C15 | H153 | 109.5° | 109.4° |
H151 | C15 | H152 | 109.4° | 109.5° |
H153 | C15 | H152 | 109.5° | 109.5° |
H201 | C20 | H203 | 109.4° | 109.4° |
H201 | C20 | H202 | 109.5° | 109.5° |
H203 | C20 | H202 | 109.5° | 109.4° |
H013 | C01 | H012 | 109.5° | 109.4° |
H013 | C01 | H011 | 109.5° | 109.5° |
H012 | C01 | H011 | 109.5° | 109.5° |
H032 | C03 | H031 | 109.5° | 109.5° |
H051 | C05 | H052 | 109.4° | 109.5° |
H071 | C07 | H072 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | N14 | C13 | C16 | 179.8° | 179.9° |
C15 | N14 | C13 | C12 | 179.7° | 180.0° |
C15 | N14 | C16 | C11 | 179.6° | 179.9° |
C15 | N14 | C16 | C17 | 0.5° | 0.1° |
C15 | N14 | C13 | H131 | 0.3° | 0.3° |
N14 | C15 | H151 | H153 | 120.0° | 119.9° |
N14 | C15 | H151 | H152 | 120.0° | 120.1° |
N14 | C15 | H153 | H152 | 120.0° | 120.0° |
N14 | C13 | C12 | H131 | 180.0° | 179.7° |
N14 | C13 | C12 | C11 | 0.0° | 0.0° |
C13 | N14 | C16 | C11 | 0.2° | 0.0° |
C13 | N14 | C16 | C17 | 179.7° | 180.0° |
C13 | N14 | C15 | H151 | 180.0° | 90.0° |
C13 | N14 | C15 | H153 | 60.0° | 150.1° |
C13 | N14 | C15 | H152 | 60.0° | 30.1° |
N14 | C13 | C12 | H121 | 180.0° | 180.0° |
C12 | C13 | N14 | C16 | 0.1° | 0.0° |
C13 | C12 | C11 | H121 | 180.0° | 179.9° |
C13 | C12 | C11 | C16 | 0.1° | 0.0° |
C13 | C12 | C11 | N10 | 178.6° | 180.0° |
N14 | C16 | C11 | C12 | 0.2° | 0.0° |
N14 | C16 | C11 | C17 | 179.9° | 180.0° |
N14 | C16 | C17 | O18 | 0.6° | 0.1° |
N14 | C16 | C11 | N10 | 178.9° | 180.0° |
N14 | C16 | C17 | N19 | 179.8° | 180.0° |
C16 | N14 | C13 | H131 | 179.9° | 179.7° |
C16 | N14 | C15 | H151 | 0.2° | 89.9° |
C16 | N14 | C15 | H153 | 119.8° | 30.0° |
C16 | N14 | C15 | H152 | 120.2° | 150.0° |
C12 | C11 | C16 | N10 | 178.6° | 180.0° |
C12 | C11 | C16 | C17 | 179.7° | 180.0° |
C12 | C11 | N10 | C09 | 179.9° | 180.0° |
C11 | C12 | C13 | H131 | 180.0° | 179.7° |
C11 | C16 | C17 | O18 | 179.5° | 180.0° |
C11 | C16 | C17 | N19 | 0.1° | 0.0° |
C16 | C11 | N10 | C09 | 1.6° | 0.0° |
C16 | C11 | C12 | H121 | 179.9° | 180.0° |
C16 | C17 | O18 | N19 | 179.6° | 180.0° |
C17 | C16 | C11 | N10 | 1.1° | 0.0° |
C16 | C17 | N19 | C09 | 0.2° | 0.0° |
C16 | C17 | N19 | C20 | 179.3° | 180.0° |
O18 | C17 | N19 | C09 | 179.8° | 180.0° |
O18 | C17 | N19 | C20 | 0.3° | 0.1° |
C11 | N10 | C09 | N19 | 1.3° | 0.0° |
C11 | N10 | C09 | N08 | 178.3° | 180.0° |
N10 | C11 | C12 | H121 | 1.4° | 0.1° |
C17 | N19 | C09 | N10 | 0.4° | 0.1° |
C17 | N19 | C09 | C20 | 179.5° | 180.0° |
C17 | N19 | C09 | N08 | 179.2° | 180.0° |
C17 | N19 | C20 | H201 | 180.0° | 0.1° |
C17 | N19 | C20 | H203 | 60.0° | 120.0° |
C17 | N19 | C20 | H202 | 60.0° | 120.0° |
N10 | C09 | N19 | N08 | 179.6° | 179.9° |
N10 | C09 | N19 | C20 | 180.0° | 180.0° |
N10 | C09 | N08 | C06 | 3.4° | 0.0° |
N10 | C09 | N08 | H081 | 176.6° | 179.9° |
N19 | C09 | N08 | C06 | 176.2° | 180.0° |
C09 | N19 | C20 | H201 | 0.5° | 179.9° |
C09 | N19 | C20 | H203 | 119.5° | 60.0° |
C09 | N19 | C20 | H202 | 120.5° | 60.0° |
N19 | C09 | N08 | H081 | 3.8° | 0.0° |
C20 | N19 | C09 | N08 | 0.4° | 0.0° |
N19 | C20 | H201 | H203 | 120.0° | 120.0° |
N19 | C20 | H201 | H202 | 120.0° | 120.1° |
N19 | C20 | H203 | H202 | 120.0° | 120.0° |
C09 | N08 | C06 | C07 | 77.7° | 85.2° |
C09 | N08 | C06 | H081 | 180.0° | 180.0° |
C09 | N08 | C06 | C05 | 168.0° | 155.0° |
C09 | N08 | C06 | H061 | 41.0° | 34.9° |
C06 | C07 | N02 | H071 | 121.0° | 119.9° |
C06 | C07 | N02 | H072 | 121.0° | 120.0° |
C07 | C06 | N08 | C05 | 114.3° | 119.8° |
C07 | C06 | N08 | H061 | 118.7° | 120.1° |
C06 | C07 | N02 | C01 | 179.5° | 174.1° |
C07 | C06 | C05 | H061 | 124.3° | 119.9° |
C06 | C07 | N02 | C03 | 46.2° | 61.8° |
C07 | C06 | C05 | C04 | 60.0° | 57.6° |
C07 | C06 | C05 | H051 | 59.9° | 177.6° |
C07 | C06 | C05 | H052 | 179.9° | 62.3° |
C06 | C07 | H071 | H072 | 117.0° | 120.0° |
C07 | C06 | N08 | H081 | 102.3° | 94.8° |
N02 | C07 | C06 | N08 | 165.9° | 179.2° |
C07 | N02 | C01 | C03 | 132.2° | 124.2° |
N02 | C07 | C06 | C05 | 50.2° | 59.2° |
C07 | N02 | C03 | C04 | 49.9° | 61.7° |
C07 | N02 | C01 | H013 | 180.0° | 63.9° |
C07 | N02 | C01 | H012 | 60.0° | 176.1° |
C07 | N02 | C01 | H011 | 60.0° | 56.1° |
C07 | N02 | C03 | H032 | 170.0° | 58.2° |
C07 | N02 | C03 | H031 | 70.2° | 178.2° |
N02 | C07 | C06 | H061 | 75.0° | 60.7° |
N02 | C07 | H071 | H072 | 117.0° | 120.0° |
N08 | C06 | C05 | H061 | 126.4° | 120.1° |
N08 | C06 | C05 | C04 | 169.2° | 177.6° |
N08 | C06 | C05 | H051 | 49.3° | 62.4° |
N08 | C06 | C05 | H052 | 70.9° | 57.7° |
N08 | C06 | C07 | H071 | 73.1° | 60.9° |
N08 | C06 | C07 | H072 | 44.9° | 59.1° |
C01 | N02 | C03 | C04 | 176.1° | 174.2° |
N02 | C01 | H013 | H012 | 120.0° | 120.0° |
N02 | C01 | H013 | H011 | 120.0° | 120.0° |
N02 | C01 | H012 | H011 | 120.0° | 120.0° |
C01 | N02 | C03 | H032 | 56.0° | 65.8° |
C01 | N02 | C03 | H031 | 63.8° | 54.1° |
C01 | N02 | C07 | H071 | 58.6° | 54.2° |
C01 | N02 | C07 | H072 | 59.5° | 65.8° |
C06 | C05 | C04 | H051 | 119.9° | 119.9° |
C06 | C05 | C04 | H052 | 119.9° | 119.9° |
C06 | C05 | C04 | C03 | 67.6° | 57.6° |
C06 | C05 | C04 | C21 | 174.3° | 177.6° |
C06 | C05 | C04 | H041 | 53.9° | 62.3° |
C06 | C05 | H051 | H052 | 120.4° | 120.1° |
C05 | C06 | C07 | H071 | 171.1° | 179.1° |
C05 | C06 | C07 | H072 | 70.8° | 60.9° |
C05 | C06 | N08 | H081 | 12.0° | 25.0° |
N02 | C03 | C04 | C05 | 62.5° | 59.1° |
N02 | C03 | C04 | H032 | 120.1° | 120.0° |
N02 | C03 | C04 | H031 | 120.1° | 120.1° |
N02 | C03 | C04 | C21 | 179.9° | 179.1° |
C03 | N02 | C01 | H013 | 47.8° | 60.2° |
C03 | N02 | C01 | H012 | 167.8° | 59.7° |
C03 | N02 | C01 | H011 | 72.2° | 179.7° |
N02 | C03 | H032 | H031 | 119.7° | 120.0° |
N02 | C03 | C04 | H041 | 60.4° | 60.8° |
C03 | N02 | C07 | H071 | 167.2° | 178.3° |
C03 | N02 | C07 | H072 | 74.7° | 58.3° |
C05 | C04 | C03 | C21 | 117.6° | 120.0° |
C05 | C04 | C03 | H041 | 122.9° | 119.9° |
C05 | C04 | C21 | H041 | 122.0° | 120.1° |
C05 | C04 | C21 | C26 | 138.7° | 120.2° |
C05 | C04 | C21 | C22 | 42.5° | 59.5° |
C05 | C04 | C03 | H032 | 177.4° | 60.8° |
C05 | C04 | C03 | H031 | 57.6° | 179.2° |
C04 | C05 | H051 | H052 | 120.3° | 120.1° |
C04 | C05 | C06 | H061 | 64.3° | 62.3° |
C03 | C04 | C21 | H041 | 119.6° | 120.1° |
C03 | C04 | C21 | C26 | 102.9° | 120.0° |
C03 | C04 | C21 | C22 | 75.9° | 60.3° |
C04 | C03 | H032 | H031 | 119.7° | 120.0° |
C03 | C04 | C05 | H051 | 52.3° | 177.5° |
C03 | C04 | C05 | H052 | 172.5° | 62.4° |
C04 | C21 | C26 | C22 | 178.8° | 179.7° |
C04 | C21 | C26 | C25 | 178.3° | 179.7° |
C04 | C21 | C22 | C23 | 178.8° | 179.7° |
C04 | C21 | C22 | H221 | 1.2° | 0.3° |
C04 | C21 | C26 | H261 | 1.7° | 0.2° |
C21 | C04 | C03 | H032 | 59.8° | 59.1° |
C21 | C04 | C03 | H031 | 60.0° | 60.8° |
C21 | C04 | C05 | H051 | 65.9° | 62.5° |
C21 | C04 | C05 | H052 | 54.3° | 57.6° |
C21 | C26 | C25 | H261 | 180.0° | 180.0° |
C26 | C21 | C22 | C23 | 0.1° | 0.0° |
C21 | C26 | C25 | C24 | 1.4° | 0.0° |
C26 | C21 | C22 | H221 | 179.9° | 180.0° |
C26 | C21 | C04 | H041 | 16.7° | 0.1° |
C21 | C26 | C25 | H251 | 178.6° | 180.0° |
C22 | C21 | C26 | C25 | 0.5° | 0.0° |
C21 | C22 | C23 | H221 | 180.0° | 180.0° |
C21 | C22 | C23 | C24 | 0.4° | 0.0° |
C22 | C21 | C26 | H261 | 179.5° | 180.0° |
C22 | C21 | C04 | H041 | 164.5° | 179.6° |
C21 | C22 | C23 | H231 | 179.6° | 180.0° |
C26 | C25 | C24 | H251 | 180.0° | 179.9° |
C26 | C25 | C24 | C23 | 1.9° | 0.0° |
C26 | C25 | C24 | H241 | 178.1° | 179.9° |
C22 | C23 | C24 | C25 | 1.4° | 0.0° |
C22 | C23 | C24 | H231 | 180.0° | 180.0° |
C22 | C23 | C24 | H241 | 178.6° | 180.0° |
C25 | C24 | C23 | H241 | 180.0° | 180.0° |
C24 | C25 | C26 | H261 | 178.6° | 179.9° |
C25 | C24 | C23 | H231 | 178.6° | 179.9° |
C24 | C23 | C22 | H221 | 179.6° | 180.0° |
C23 | C24 | C25 | H251 | 178.1° | 180.0° |
H131 | C13 | C12 | H121 | 0.0° | 0.3° |
H151 | C15 | H153 | H152 | 120.0° | 120.0° |
H201 | C20 | H203 | H202 | 120.0° | 120.0° |
H221 | C22 | C23 | H231 | 0.4° | 0.0° |
H241 | C24 | C23 | H231 | 1.4° | 0.1° |
H241 | C24 | C25 | H251 | 1.9° | 0.0° |
H261 | C26 | C25 | H251 | 1.4° | 0.0° |
H013 | C01 | H012 | H011 | 120.0° | 120.0° |
H032 | C03 | C04 | H041 | 59.6° | 179.3° |
H031 | C03 | C04 | H041 | 179.5° | 59.3° |
H041 | C04 | C05 | H051 | 173.8° | 57.6° |
H041 | C04 | C05 | H052 | 66.0° | 177.8° |
H051 | C05 | C06 | H061 | 175.8° | 57.7° |
H052 | C05 | C06 | H061 | 55.6° | 177.8° |
H061 | C06 | C07 | H071 | 46.0° | 59.2° |
H061 | C06 | C07 | H072 | 164.0° | 179.2° |
H061 | C06 | N08 | H081 | 139.0° | 145.1° |