F7F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O30 | C26 | doub | 1.22Å | 1.22Å | |
O12 | C11 | sing | 1.43Å | 1.40Å | |
C26 | N27 | sing | 1.34Å | 1.50Å | |
C26 | N25 | sing | 1.34Å | 1.48Å | |
N27 | C28 | sing | 1.35Å | 1.44Å | |
N25 | C21 | doub | 1.31Å | 1.42Å | |
C11 | C09 | sing | 1.53Å | 1.53Å | |
C11 | C13 | sing | 1.53Å | 1.51Å | |
C09 | O10 | sing | 1.43Å | 1.40Å | |
C09 | C08 | sing | 1.53Å | 1.53Å | |
C15 | C13 | sing | 1.53Å | 1.53Å | |
C15 | O16 | sing | 1.43Å | 1.41Å | |
C13 | O14 | sing | 1.43Å | 1.40Å | |
C28 | O29 | doub | 1.21Å | 1.22Å | |
C28 | C22 | sing | 1.51Å | 1.44Å | |
C21 | C22 | sing | 1.51Å | 1.53Å | |
C21 | N07 | sing | 1.35Å | 1.41Å | |
O16 | P17 | sing | 1.61Å | 1.58Å | |
C08 | N07 | sing | 1.47Å | 1.46Å | |
C22 | O24 | sing | 1.43Å | 1.46Å | |
C22 | N23 | sing | 1.45Å | 1.47Å | |
N07 | C06 | sing | 1.40Å | 1.33Å | |
O24 | N23 | sing | 1.47Å | 1.45Å | |
P17 | O19 | doub | 1.48Å | 1.51Å | |
P17 | O18 | sing | 1.61Å | 1.52Å | |
P17 | O20 | sing | 1.61Å | 1.51Å | |
C06 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
C06 | C31 | sing | 1.39Å | 1.34Å | Aromatic |
N23 | C31 | sing | 1.40Å | 1.51Å | |
C05 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
C31 | C32 | doub | 1.39Å | 1.42Å | Aromatic |
C03 | C04 | sing | 1.51Å | 1.53Å | |
C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
C32 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.53Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C15 | H2 | sing | 1.09Å | 1.10Å | |
C15 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C04 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.08Å | 1.08Å | |
C08 | H11 | sing | 1.09Å | 1.10Å | |
C08 | H12 | sing | 1.09Å | 1.10Å | |
C09 | H13 | sing | 1.09Å | 1.10Å | |
O10 | H14 | sing | 0.97Å | 0.95Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
O12 | H16 | sing | 0.97Å | 0.95Å | |
O14 | H17 | sing | 0.97Å | 0.95Å | |
O18 | H18 | sing | 0.97Å | 0.95Å | |
O20 | H19 | sing | 0.97Å | 0.95Å | |
N27 | H20 | sing | 0.97Å | 1.00Å | |
C32 | H21 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O30 | C26 | N27 | 120.4° | 118.3° |
O30 | C26 | N25 | 119.3° | 118.3° |
O12 | C11 | C09 | 110.4° | 109.5° |
O12 | C11 | C13 | 106.8° | 109.5° |
O12 | C11 | H15 | 110.5° | 109.5° |
C11 | O12 | H16 | 109.5° | 114.0° |
N27 | C26 | N25 | 120.3° | 123.4° |
C26 | N27 | C28 | 119.8° | 121.4° |
C26 | N27 | H20 | 120.1° | 119.3° |
C26 | N25 | C21 | 120.0° | 122.1° |
N27 | C28 | O29 | 119.1° | 120.9° |
N27 | C28 | C22 | 119.1° | 118.2° |
C28 | N27 | H20 | 120.1° | 119.3° |
N25 | C21 | C22 | 118.8° | 119.5° |
N25 | C21 | N07 | 119.8° | 121.1° |
C09 | C11 | C13 | 111.3° | 109.4° |
C11 | C09 | O10 | 109.2° | 109.5° |
C11 | C09 | C08 | 111.1° | 109.4° |
C11 | C09 | H13 | 108.3° | 109.5° |
C09 | C11 | H15 | 108.8° | 109.5° |
C11 | C13 | C15 | 107.9° | 109.5° |
C11 | C13 | O14 | 107.2° | 109.5° |
C11 | C13 | H1 | 109.4° | 109.5° |
C13 | C11 | H15 | 109.0° | 109.4° |
O10 | C09 | C08 | 110.2° | 109.5° |
O10 | C09 | H13 | 109.9° | 109.5° |
C09 | O10 | H14 | 109.5° | 114.0° |
C09 | C08 | N07 | 118.5° | 109.5° |
C09 | C08 | H11 | 107.2° | 109.5° |
C09 | C08 | H12 | 107.2° | 109.5° |
C08 | C09 | H13 | 108.2° | 109.4° |
C13 | C15 | O16 | 108.1° | 109.5° |
C15 | C13 | O14 | 112.2° | 109.5° |
C15 | C13 | H1 | 109.1° | 109.4° |
C13 | C15 | H2 | 109.8° | 109.5° |
C13 | C15 | H3 | 109.8° | 109.5° |
C15 | O16 | P17 | 115.4° | 123.0° |
O16 | C15 | H2 | 109.8° | 109.5° |
O16 | C15 | H3 | 109.8° | 109.5° |
O14 | C13 | H1 | 110.9° | 109.5° |
C13 | O14 | H17 | 109.5° | 114.0° |
O29 | C28 | C22 | 121.8° | 120.9° |
C28 | C22 | C21 | 121.7° | 113.7° |
C28 | C22 | O24 | 97.9° | 115.4° |
C28 | C22 | N23 | 123.5° | 119.9° |
C22 | C21 | N07 | 121.4° | 119.3° |
C21 | C22 | O24 | 109.7° | 117.4° |
C21 | C22 | N23 | 114.8° | 119.2° |
C21 | N07 | C08 | 123.0° | 120.1° |
C21 | N07 | C06 | 120.5° | 119.8° |
O16 | P17 | O19 | 112.1° | 109.5° |
O16 | P17 | O18 | 111.3° | 109.5° |
O16 | P17 | O20 | 106.1° | 109.4° |
C08 | N07 | C06 | 116.5° | 120.1° |
N07 | C08 | H11 | 107.2° | 109.5° |
N07 | C08 | H12 | 107.2° | 109.5° |
O24 | C22 | N23 | 59.1° | 61.2° |
C22 | O24 | N23 | 60.8° | 60.0° |
C22 | N23 | O24 | 60.1° | 58.8° |
C22 | N23 | C31 | 116.5° | 115.8° |
N07 | C06 | C05 | 116.7° | 118.3° |
N07 | C06 | C31 | 124.0° | 121.7° |
O24 | N23 | C31 | 120.1° | 109.2° |
O19 | P17 | O18 | 108.1° | 109.5° |
O19 | P17 | O20 | 109.3° | 109.5° |
O18 | P17 | O20 | 109.9° | 109.4° |
P17 | O18 | H18 | 109.5° | 114.1° |
P17 | O20 | H19 | 109.5° | 114.0° |
C05 | C06 | C31 | 119.2° | 120.0° |
C06 | C05 | C03 | 120.5° | 120.3° |
C06 | C05 | H10 | 119.7° | 119.8° |
C06 | C31 | N23 | 121.6° | 123.1° |
C06 | C31 | C32 | 120.4° | 119.2° |
N23 | C31 | C32 | 117.9° | 117.7° |
C05 | C03 | C04 | 119.9° | 120.0° |
C05 | C03 | C02 | 120.1° | 119.9° |
C03 | C05 | H10 | 119.7° | 119.9° |
C31 | C32 | C02 | 119.7° | 120.5° |
C31 | C32 | H21 | 120.2° | 119.8° |
C04 | C03 | C02 | 120.1° | 120.0° |
C03 | C04 | H7 | 109.5° | 109.5° |
C03 | C04 | H8 | 109.4° | 109.4° |
C03 | C04 | H9 | 109.4° | 109.5° |
C03 | C02 | C32 | 119.9° | 120.1° |
C03 | C02 | C01 | 119.5° | 119.9° |
C32 | C02 | C01 | 120.5° | 120.0° |
C02 | C32 | H21 | 120.1° | 119.7° |
C02 | C01 | H4 | 109.5° | 109.5° |
C02 | C01 | H5 | 109.4° | 109.4° |
C02 | C01 | H6 | 109.5° | 109.5° |
H2 | C15 | H3 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.4° |
H4 | C01 | H6 | 109.5° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.5° |
H7 | C04 | H8 | 109.4° | 109.5° |
H7 | C04 | H9 | 109.5° | 109.5° |
H8 | C04 | H9 | 109.5° | 109.4° |
H11 | C08 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O30 | C26 | N27 | N25 | 179.9° | 180.0° |
O30 | C26 | N27 | C28 | 179.3° | 172.0° |
O30 | C26 | N25 | C21 | 179.5° | 173.5° |
O30 | C26 | N27 | H20 | 0.8° | 8.1° |
O12 | C11 | C09 | C13 | 118.4° | 120.0° |
O12 | C11 | C09 | H15 | 121.5° | 120.1° |
O12 | C11 | C13 | H15 | 119.5° | 120.1° |
O12 | C11 | C09 | O10 | 82.1° | 180.0° |
O12 | C11 | C09 | C08 | 156.2° | 60.0° |
O12 | C11 | C13 | C15 | 74.9° | 60.0° |
O12 | C11 | C13 | O14 | 164.0° | 180.0° |
O12 | C11 | C13 | H1 | 43.6° | 60.0° |
O12 | C11 | C09 | H13 | 37.6° | 59.9° |
C26 | N27 | C28 | H20 | 180.0° | 179.9° |
N27 | C26 | N25 | C21 | 0.3° | 6.5° |
C26 | N27 | C28 | O29 | 178.3° | 178.2° |
C26 | N27 | C28 | C22 | 3.5° | 1.9° |
N25 | C26 | N27 | C28 | 0.6° | 8.1° |
C26 | N25 | C21 | C22 | 2.8° | 4.9° |
C26 | N25 | C21 | N07 | 179.7° | 171.9° |
N25 | C26 | N27 | H20 | 179.4° | 171.8° |
N27 | C28 | O29 | C22 | 178.2° | 180.0° |
N27 | C28 | C22 | C21 | 6.1° | 11.7° |
N27 | C28 | C22 | O24 | 112.9° | 128.2° |
N27 | C28 | C22 | N23 | 171.0° | 161.8° |
N25 | C21 | C22 | C28 | 5.8° | 13.4° |
N25 | C21 | C22 | N07 | 176.9° | 176.9° |
N25 | C21 | N07 | C08 | 0.4° | 11.2° |
N25 | C21 | C22 | O24 | 107.3° | 125.7° |
N25 | C21 | C22 | N23 | 171.5° | 163.7° |
N25 | C21 | N07 | C06 | 179.9° | 168.8° |
C09 | C11 | C13 | H15 | 120.0° | 119.9° |
C11 | C09 | O10 | C08 | 122.2° | 120.0° |
C11 | C09 | O10 | H13 | 118.6° | 120.0° |
C11 | C09 | C08 | H13 | 118.7° | 119.9° |
C09 | C11 | C13 | C15 | 164.5° | 180.0° |
C09 | C11 | C13 | O14 | 43.5° | 60.0° |
C11 | C09 | C08 | N07 | 162.3° | 175.0° |
C09 | C11 | C13 | H1 | 76.9° | 60.0° |
C11 | C09 | C08 | H11 | 76.4° | 65.0° |
C11 | C09 | C08 | H12 | 41.1° | 55.0° |
C11 | C09 | O10 | H14 | 180.0° | 59.9° |
C09 | C11 | O12 | H16 | 180.0° | 59.9° |
C13 | C11 | C09 | O10 | 36.4° | 60.0° |
C13 | C11 | C09 | C08 | 85.3° | 180.0° |
C11 | C13 | C15 | O14 | 117.9° | 120.0° |
C11 | C13 | C15 | H1 | 118.7° | 120.0° |
C11 | C13 | C15 | O16 | 142.7° | 175.0° |
C11 | C13 | O14 | H1 | 119.3° | 120.0° |
C11 | C13 | C15 | H2 | 97.6° | 65.0° |
C11 | C13 | C15 | H3 | 22.9° | 55.0° |
C13 | C11 | C09 | H13 | 156.0° | 60.1° |
C13 | C11 | O12 | H16 | 58.9° | 60.0° |
C11 | C13 | O14 | H17 | 180.0° | 60.0° |
O10 | C09 | C08 | H13 | 120.2° | 120.1° |
O10 | C09 | C08 | N07 | 41.2° | 65.0° |
O10 | C09 | C08 | H11 | 162.5° | 55.0° |
O10 | C09 | C08 | H12 | 80.1° | 175.0° |
O10 | C09 | C11 | H15 | 156.5° | 59.9° |
C09 | C08 | N07 | C21 | 57.7° | 90.0° |
C09 | C08 | N07 | H11 | 121.3° | 120.0° |
C09 | C08 | N07 | H12 | 121.3° | 120.0° |
C09 | C08 | N07 | C06 | 122.5° | 90.0° |
C09 | C08 | H11 | H12 | 115.9° | 120.0° |
C08 | C09 | O10 | H14 | 57.8° | 60.0° |
C08 | C09 | C11 | H15 | 34.8° | 60.1° |
C13 | C15 | O16 | H2 | 119.8° | 120.0° |
C13 | C15 | O16 | H3 | 119.8° | 120.0° |
C15 | C13 | O14 | H1 | 122.4° | 120.0° |
C13 | C15 | O16 | P17 | 106.1° | 179.9° |
C13 | C15 | H2 | H3 | 120.6° | 120.0° |
C15 | C13 | C11 | H15 | 44.5° | 60.1° |
C15 | C13 | O14 | H17 | 61.7° | 60.0° |
O16 | C15 | C13 | O14 | 99.5° | 65.0° |
C15 | O16 | P17 | O19 | 84.7° | 55.0° |
C15 | O16 | P17 | O18 | 154.1° | 175.0° |
C15 | O16 | P17 | O20 | 34.5° | 65.0° |
O16 | C15 | C13 | H1 | 23.9° | 55.0° |
O16 | C15 | H2 | H3 | 120.6° | 120.0° |
O14 | C13 | C15 | H2 | 20.3° | 55.0° |
O14 | C13 | C15 | H3 | 140.7° | 175.0° |
O14 | C13 | C11 | H15 | 76.5° | 60.0° |
O29 | C28 | C22 | C21 | 175.7° | 168.3° |
O29 | C28 | C22 | O24 | 65.3° | 51.8° |
O29 | C28 | C22 | N23 | 7.3° | 18.2° |
O29 | C28 | N27 | H20 | 1.8° | 1.7° |
C28 | C22 | C21 | O24 | 113.2° | 139.1° |
C28 | C22 | C21 | N23 | 177.3° | 150.3° |
C28 | C22 | C21 | N07 | 177.3° | 163.5° |
C28 | C22 | O24 | N23 | 124.4° | 111.7° |
C28 | C22 | N23 | C31 | 170.5° | 157.8° |
C22 | C28 | N27 | H20 | 176.5° | 178.2° |
C22 | C21 | N07 | C08 | 176.5° | 172.0° |
C21 | C22 | O24 | N23 | 107.7° | 110.0° |
C22 | C21 | N07 | C06 | 3.3° | 8.0° |
C21 | C22 | N23 | C31 | 12.2° | 9.4° |
C21 | N07 | C08 | C06 | 179.8° | 180.0° |
N07 | C21 | C22 | O24 | 69.5° | 57.4° |
N07 | C21 | C22 | N23 | 5.4° | 13.2° |
C21 | N07 | C06 | C05 | 172.3° | 178.6° |
C21 | N07 | C06 | C31 | 4.4° | 0.4° |
C21 | N07 | C08 | H11 | 63.5° | 150.0° |
C21 | N07 | C08 | H12 | 179.0° | 30.0° |
O16 | P17 | O19 | O18 | 123.0° | 120.1° |
O16 | P17 | O19 | O20 | 117.3° | 120.0° |
O16 | P17 | O18 | O20 | 117.2° | 119.9° |
P17 | O16 | C15 | H2 | 13.6° | 60.0° |
P17 | O16 | C15 | H3 | 134.1° | 60.0° |
O16 | P17 | O18 | H18 | 123.5° | 180.0° |
O16 | P17 | O20 | H19 | 121.0° | 60.0° |
C08 | N07 | C06 | C05 | 7.9° | 1.4° |
C08 | N07 | C06 | C31 | 175.4° | 179.6° |
N07 | C08 | H11 | H12 | 115.9° | 120.0° |
N07 | C08 | C09 | H13 | 79.0° | 55.0° |
O24 | C22 | N23 | C31 | 111.2° | 97.8° |
C22 | N23 | C31 | C06 | 12.2° | 1.1° |
C22 | N23 | C31 | C32 | 170.7° | 178.1° |
N07 | C06 | C05 | C31 | 176.9° | 178.2° |
N07 | C06 | C31 | N23 | 3.6° | 4.2° |
N07 | C06 | C05 | C03 | 178.9° | 177.2° |
N07 | C06 | C31 | C32 | 179.4° | 176.6° |
N07 | C06 | C05 | H10 | 1.2° | 2.8° |
C06 | N07 | C08 | H11 | 116.2° | 30.0° |
C06 | N07 | C08 | H12 | 1.2° | 150.0° |
O24 | N23 | C31 | C06 | 57.1° | 65.0° |
O24 | N23 | C31 | C32 | 120.0° | 114.3° |
O19 | P17 | O18 | O20 | 119.3° | 120.0° |
O19 | P17 | O18 | H18 | 0.0° | 60.0° |
O19 | P17 | O20 | H19 | 0.0° | 180.0° |
O18 | P17 | O20 | H19 | 118.5° | 60.0° |
O20 | P17 | O18 | H18 | 119.3° | 60.0° |
C05 | C06 | C31 | N23 | 179.8° | 177.7° |
C06 | C05 | C03 | H10 | 180.0° | 180.0° |
C05 | C06 | C31 | C32 | 2.8° | 1.6° |
C06 | C05 | C03 | C04 | 179.4° | 180.0° |
C06 | C05 | C03 | C02 | 0.5° | 0.0° |
C06 | C31 | N23 | C32 | 177.1° | 179.3° |
C31 | C06 | C05 | C03 | 2.0° | 1.0° |
C06 | C31 | C32 | C02 | 2.2° | 1.1° |
C31 | C06 | C05 | H10 | 178.0° | 179.0° |
C06 | C31 | C32 | H21 | 177.8° | 179.0° |
N23 | C31 | C32 | C02 | 179.3° | 178.2° |
N23 | C31 | C32 | H21 | 0.7° | 1.7° |
C05 | C03 | C04 | C02 | 179.9° | 180.0° |
C05 | C03 | C02 | C32 | 0.1° | 0.5° |
C05 | C03 | C02 | C01 | 180.0° | 179.5° |
C05 | C03 | C04 | H7 | 90.1° | 90.0° |
C05 | C03 | C04 | H8 | 149.9° | 30.0° |
C05 | C03 | C04 | H9 | 30.0° | 150.0° |
C31 | C32 | C02 | C03 | 0.7° | 0.1° |
C31 | C32 | C02 | H21 | 180.0° | 179.9° |
C31 | C32 | C02 | C01 | 179.2° | 180.0° |
C04 | C03 | C02 | C32 | 180.0° | 179.5° |
C04 | C03 | C02 | C01 | 0.1° | 0.6° |
C03 | C04 | H7 | H8 | 120.0° | 120.0° |
C03 | C04 | H7 | H9 | 120.0° | 120.1° |
C03 | C04 | H8 | H9 | 120.0° | 120.0° |
C04 | C03 | C05 | H10 | 0.6° | 0.1° |
C03 | C02 | C32 | C01 | 179.9° | 180.0° |
C03 | C02 | C01 | H4 | 90.0° | 90.0° |
C03 | C02 | C01 | H5 | 150.0° | 150.0° |
C03 | C02 | C01 | H6 | 30.1° | 30.0° |
C02 | C03 | C04 | H7 | 90.0° | 90.0° |
C02 | C03 | C04 | H8 | 29.9° | 150.0° |
C02 | C03 | C04 | H9 | 149.9° | 30.0° |
C02 | C03 | C05 | H10 | 179.5° | 179.9° |
C03 | C02 | C32 | H21 | 179.3° | 180.0° |
C32 | C02 | C01 | H4 | 89.9° | 90.0° |
C32 | C02 | C01 | H5 | 30.1° | 30.0° |
C32 | C02 | C01 | H6 | 150.0° | 150.0° |
C02 | C01 | H4 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | C02 | C32 | H21 | 0.8° | 0.1° |
H1 | C13 | C15 | H2 | 143.7° | 175.0° |
H1 | C13 | C15 | H3 | 95.8° | 65.0° |
H1 | C13 | C11 | H15 | 163.1° | 180.0° |
H1 | C13 | O14 | H17 | 60.7° | 180.0° |
H4 | C01 | H5 | H6 | 120.0° | 120.0° |
H7 | C04 | H8 | H9 | 120.0° | 120.0° |
H11 | C08 | C09 | H13 | 42.3° | 175.0° |
H12 | C08 | C09 | H13 | 159.7° | 65.0° |
H13 | C09 | O10 | H14 | 61.4° | 180.0° |
H13 | C09 | C11 | H15 | 83.9° | 180.0° |
H15 | C11 | O12 | H16 | 59.6° | 180.0° |