FGR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O6 | sing | 1.43Å | 1.46Å | |
C1 | C2 | sing | 1.54Å | 1.53Å | |
C1 | C5 | sing | 1.54Å | 1.50Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C2 | O8 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.54Å | 1.49Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C3 | O4 | sing | 1.44Å | 1.42Å | |
C3 | N19 | sing | 1.47Å | 1.45Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O4 | C5 | sing | 1.45Å | 1.44Å | |
C5 | C10 | sing | 1.53Å | 1.50Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C10 | O12 | sing | 1.43Å | 1.42Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
O12 | P15 | sing | 1.61Å | 1.61Å | |
N19 | C21 | sing | 1.35Å | 1.36Å | |
N19 | HN19 | sing | 0.97Å | 1.00Å | |
C21 | O22 | doub | 1.21Å | 1.22Å | |
C21 | C23 | sing | 1.51Å | 1.51Å | |
C23 | N24 | sing | 1.46Å | 1.48Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
N24 | C19 | sing | 1.35Å | 1.35Å | |
N24 | HN24 | sing | 0.97Å | 1.00Å | |
P15 | O16 | sing | 1.61Å | 1.54Å | |
P15 | O17 | doub | 1.48Å | 1.52Å | |
P15 | O18 | sing | 1.61Å | 1.53Å | |
O16 | HO16 | sing | 0.97Å | 0.95Å | |
O18 | HO18 | sing | 0.97Å | 0.95Å | |
C19 | O20 | doub | 1.21Å | 1.21Å | |
C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C1 | C2 | 118.3° | 110.5° |
O6 | C1 | C5 | 109.4° | 110.5° |
O6 | C1 | H1 | 101.8° | 110.5° |
C1 | O6 | HO6 | 109.5° | 106.8° |
C2 | C1 | C5 | 103.9° | 104.2° |
C2 | C1 | H1 | 107.5° | 110.5° |
C1 | C2 | O8 | 112.8° | 110.5° |
C1 | C2 | C3 | 101.6° | 104.1° |
C1 | C2 | H2 | 114.0° | 110.5° |
C5 | C1 | H1 | 116.7° | 110.5° |
C1 | C5 | O4 | 102.5° | 104.7° |
C1 | C5 | C10 | 119.7° | 110.7° |
C1 | C5 | H5 | 107.0° | 110.3° |
O8 | C2 | C3 | 113.6° | 110.6° |
O8 | C2 | H2 | 102.1° | 110.4° |
C2 | O8 | HO8 | 109.5° | 106.9° |
C3 | C2 | H2 | 113.2° | 110.5° |
C2 | C3 | O4 | 107.8° | 104.8° |
C2 | C3 | N19 | 112.1° | 110.4° |
C2 | C3 | H3 | 109.0° | 110.4° |
O4 | C3 | N19 | 109.9° | 110.5° |
O4 | C3 | H3 | 111.2° | 110.3° |
C3 | O4 | C5 | 110.9° | 105.4° |
N19 | C3 | H3 | 106.8° | 110.3° |
C3 | N19 | C21 | 124.9° | 120.0° |
C3 | N19 | HN19 | 117.5° | 119.9° |
O4 | C5 | C10 | 107.6° | 110.4° |
O4 | C5 | H5 | 119.3° | 110.4° |
C10 | C5 | H5 | 101.8° | 110.3° |
C5 | C10 | O12 | 111.3° | 109.5° |
C5 | C10 | H101 | 108.4° | 109.5° |
C5 | C10 | H102 | 108.9° | 109.5° |
O12 | C10 | H101 | 108.4° | 109.4° |
O12 | C10 | H102 | 108.9° | 109.5° |
C10 | O12 | P15 | 119.9° | 106.8° |
H101 | C10 | H102 | 110.9° | 109.4° |
O12 | P15 | O16 | 104.2° | 109.4° |
O12 | P15 | O17 | 111.2° | 109.5° |
O12 | P15 | O18 | 104.2° | 109.5° |
C21 | N19 | HN19 | 117.6° | 120.0° |
N19 | C21 | O22 | 121.1° | 120.0° |
N19 | C21 | C23 | 119.9° | 120.1° |
O22 | C21 | C23 | 119.0° | 119.9° |
C21 | C23 | N24 | 111.6° | 109.5° |
C21 | C23 | H231 | 108.3° | 109.5° |
C21 | C23 | H232 | 108.8° | 109.4° |
N24 | C23 | H231 | 108.3° | 109.5° |
N24 | C23 | H232 | 108.8° | 109.5° |
C23 | N24 | C19 | 99.0° | 120.0° |
C23 | N24 | HN24 | 130.5° | 120.0° |
H231 | C23 | H232 | 111.1° | 109.4° |
C19 | N24 | HN24 | 130.5° | 120.0° |
N24 | C19 | O20 | 116.7° | 120.0° |
N24 | C19 | H19 | 121.7° | 120.0° |
O16 | P15 | O17 | 112.6° | 109.5° |
O16 | P15 | O18 | 112.1° | 109.5° |
P15 | O16 | HO16 | 109.5° | 106.8° |
O17 | P15 | O18 | 111.9° | 109.5° |
P15 | O18 | HO18 | 109.5° | 106.8° |
O20 | C19 | H19 | 121.6° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C1 | C2 | C5 | 121.4° | 118.7° |
O6 | C1 | C2 | H1 | 114.3° | 122.6° |
O6 | C1 | C5 | H1 | 114.7° | 122.6° |
O6 | C1 | C2 | O8 | 33.2° | 0.1° |
O6 | C1 | C2 | C3 | 155.2° | 118.7° |
O6 | C1 | C2 | H2 | 82.7° | 122.7° |
O6 | C1 | C5 | O4 | 162.7° | 142.5° |
O6 | C1 | C5 | C10 | 78.4° | 98.5° |
O6 | C1 | C5 | H5 | 36.5° | 23.8° |
C2 | C1 | C5 | H1 | 118.1° | 118.7° |
C2 | C1 | O6 | HO6 | 19.7° | 63.3° |
C1 | C2 | O8 | C3 | 115.0° | 114.7° |
C1 | C2 | O8 | H2 | 122.8° | 122.6° |
C1 | C2 | C3 | H2 | 122.7° | 118.7° |
C1 | C2 | O8 | HO8 | 81.4° | 180.0° |
C1 | C2 | C3 | O4 | 19.5° | 24.0° |
C1 | C2 | C3 | N19 | 101.6° | 142.9° |
C1 | C2 | C3 | H3 | 140.3° | 94.8° |
C2 | C1 | C5 | O4 | 35.5° | 23.8° |
C2 | C1 | C5 | C10 | 154.4° | 142.7° |
C2 | C1 | C5 | H5 | 90.7° | 95.0° |
C5 | C1 | O6 | HO6 | 138.3° | 178.1° |
C5 | C1 | C2 | O8 | 88.2° | 118.9° |
C5 | C1 | C2 | C3 | 33.8° | 0.1° |
C5 | C1 | C2 | H2 | 155.9° | 118.5° |
C1 | C5 | O4 | C3 | 24.2° | 40.3° |
C1 | C5 | O4 | C10 | 127.1° | 119.1° |
C1 | C5 | O4 | H5 | 117.9° | 118.7° |
C1 | C5 | C10 | H5 | 117.6° | 122.3° |
C1 | C5 | C10 | O12 | 176.5° | 178.1° |
C1 | C5 | C10 | H101 | 64.3° | 58.1° |
C1 | C5 | C10 | H102 | 56.5° | 61.9° |
H1 | C1 | O6 | HO6 | 97.6° | 59.3° |
H1 | C1 | C2 | O8 | 147.5° | 122.4° |
H1 | C1 | C2 | C3 | 90.5° | 118.7° |
H1 | C1 | C2 | H2 | 31.6° | 0.1° |
H1 | C1 | C5 | O4 | 82.5° | 94.9° |
H1 | C1 | C5 | C10 | 36.3° | 24.0° |
H1 | C1 | C5 | H5 | 151.2° | 146.3° |
O8 | C2 | C3 | H2 | 115.9° | 122.6° |
O8 | C2 | C3 | O4 | 101.9° | 142.7° |
O8 | C2 | C3 | N19 | 137.0° | 98.3° |
O8 | C2 | C3 | H3 | 18.9° | 23.9° |
C3 | C2 | O8 | HO8 | 33.5° | 65.3° |
C2 | C3 | O4 | N19 | 122.4° | 118.9° |
C2 | C3 | O4 | H3 | 119.4° | 118.8° |
C2 | C3 | N19 | H3 | 119.4° | 122.3° |
C2 | C3 | O4 | C5 | 2.7° | 40.4° |
C2 | C3 | N19 | C21 | 144.6° | 145.0° |
C2 | C3 | N19 | HN19 | 35.4° | 35.0° |
H2 | C2 | O8 | HO8 | 155.8° | 57.4° |
H2 | C2 | C3 | O4 | 142.2° | 94.7° |
H2 | C2 | C3 | N19 | 21.1° | 24.3° |
H2 | C2 | C3 | H3 | 97.0° | 146.5° |
O4 | C3 | N19 | H3 | 120.8° | 122.3° |
C3 | O4 | C5 | C10 | 151.3° | 159.4° |
C3 | O4 | C5 | H5 | 93.7° | 78.3° |
O4 | C3 | N19 | C21 | 95.6° | 99.5° |
O4 | C3 | N19 | HN19 | 84.4° | 80.5° |
N19 | C3 | O4 | C5 | 125.1° | 159.3° |
C3 | N19 | C21 | HN19 | 180.0° | 180.0° |
C3 | N19 | C21 | O22 | 0.1° | 0.0° |
C3 | N19 | C21 | C23 | 179.7° | 180.0° |
H3 | C3 | O4 | C5 | 116.8° | 78.4° |
H3 | C3 | N19 | C21 | 25.3° | 22.7° |
H3 | C3 | N19 | HN19 | 154.8° | 157.3° |
O4 | C5 | C10 | H5 | 126.2° | 122.3° |
O4 | C5 | C10 | O12 | 67.3° | 66.4° |
O4 | C5 | C10 | H101 | 51.9° | 173.6° |
O4 | C5 | C10 | H102 | 172.7° | 53.6° |
C5 | C10 | O12 | H101 | 119.2° | 120.0° |
C5 | C10 | O12 | H102 | 120.0° | 120.0° |
C5 | C10 | H101 | H102 | 119.5° | 120.0° |
C5 | C10 | O12 | P15 | 166.5° | 180.0° |
H5 | C5 | C10 | O12 | 58.9° | 55.8° |
H5 | C5 | C10 | H101 | 178.1° | 64.2° |
H5 | C5 | C10 | H102 | 61.1° | 175.8° |
O12 | C10 | H101 | H102 | 119.5° | 120.0° |
C10 | O12 | P15 | O16 | 64.1° | 65.0° |
C10 | O12 | P15 | O17 | 57.6° | 55.0° |
C10 | O12 | P15 | O18 | 178.3° | 175.0° |
H101 | C10 | O12 | P15 | 74.3° | 59.9° |
H102 | C10 | O12 | P15 | 46.5° | 60.0° |
O12 | P15 | O16 | O17 | 120.7° | 120.0° |
O12 | P15 | O16 | O18 | 112.1° | 120.0° |
O12 | P15 | O17 | O18 | 116.1° | 120.0° |
O12 | P15 | O16 | HO16 | 176.4° | 60.0° |
O12 | P15 | O18 | HO18 | 155.5° | 180.0° |
N19 | C21 | O22 | C23 | 179.9° | 180.0° |
N19 | C21 | C23 | N24 | 0.2° | 180.0° |
N19 | C21 | C23 | H231 | 118.9° | 60.0° |
N19 | C21 | C23 | H232 | 120.2° | 60.0° |
HN19 | N19 | C21 | O22 | 179.9° | 180.0° |
HN19 | N19 | C21 | C23 | 0.3° | 0.0° |
O22 | C21 | C23 | N24 | 179.7° | 0.0° |
O22 | C21 | C23 | H231 | 61.2° | 120.0° |
O22 | C21 | C23 | H232 | 59.7° | 120.0° |
C21 | C23 | N24 | H231 | 119.1° | 120.0° |
C21 | C23 | N24 | H232 | 120.0° | 120.0° |
C21 | C23 | H231 | H232 | 119.4° | 119.9° |
C21 | C23 | N24 | C19 | 108.8° | 180.0° |
C21 | C23 | N24 | HN24 | 71.2° | 0.0° |
N24 | C23 | H231 | H232 | 119.4° | 120.0° |
C23 | N24 | C19 | HN24 | 180.0° | 180.0° |
C23 | N24 | C19 | O20 | 179.7° | 0.0° |
C23 | N24 | C19 | H19 | 0.3° | 180.0° |
H231 | C23 | N24 | C19 | 132.1° | 60.0° |
H231 | C23 | N24 | HN24 | 47.9° | 120.0° |
H232 | C23 | N24 | C19 | 11.2° | 60.0° |
H232 | C23 | N24 | HN24 | 168.8° | 120.0° |
N24 | C19 | O20 | H19 | 180.0° | 180.0° |
HN24 | N24 | C19 | O20 | 0.3° | 180.0° |
HN24 | N24 | C19 | H19 | 179.7° | 0.0° |
O16 | P15 | O17 | O18 | 127.4° | 120.0° |
O16 | P15 | O18 | HO18 | 43.4° | 60.0° |
O17 | P15 | O16 | HO16 | 55.7° | 180.0° |
O17 | P15 | O18 | HO18 | 84.2° | 60.0° |
O18 | P15 | O16 | HO16 | 71.6° | 60.0° |