GRF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | O3 | sing | 1.43Å | 1.41Å | |
C3 | C2 | sing | 1.55Å | 1.55Å | |
C3 | C4 | sing | 1.54Å | 1.50Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.39Å | |
C2 | C1 | sing | 1.54Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C1 | O4 | sing | 1.44Å | 1.42Å | |
C1 | N19 | sing | 1.47Å | 1.50Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
O4 | C4 | sing | 1.44Å | 1.48Å | |
C4 | C5 | sing | 1.53Å | 1.49Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
O5 | P15 | sing | 1.61Å | 1.58Å | |
N19 | H191 | sing | 1.01Å | 1.02Å | |
N19 | H192 | sing | 1.01Å | 1.02Å | |
P15 | O16 | sing | 1.61Å | 1.45Å | |
P15 | O17 | doub | 1.48Å | 1.46Å | |
P15 | O18 | sing | 1.61Å | 1.61Å | |
O16 | H16 | sing | 0.97Å | 0.95Å | |
O18 | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C3 | C2 | 113.7° | 110.5° |
O3 | C3 | C4 | 115.9° | 110.6° |
O3 | C3 | H3 | 100.3° | 110.4° |
C3 | O3 | HO3 | 113.7° | 106.8° |
C2 | C3 | C4 | 104.5° | 104.1° |
C2 | C3 | H3 | 112.6° | 110.5° |
C3 | C2 | O2 | 111.2° | 110.5° |
C3 | C2 | C1 | 103.7° | 104.0° |
C3 | C2 | H2 | 114.3° | 110.5° |
C4 | C3 | H3 | 110.1° | 110.5° |
C3 | C4 | O4 | 102.9° | 104.8° |
C3 | C4 | C5 | 115.8° | 110.5° |
C3 | C4 | H4 | 110.3° | 110.4° |
O2 | C2 | C1 | 115.2° | 110.8° |
O2 | C2 | H2 | 102.6° | 110.4° |
C2 | O2 | HO2 | 111.2° | 106.8° |
C1 | C2 | H2 | 110.2° | 110.5° |
C2 | C1 | O4 | 104.4° | 104.9° |
C2 | C1 | N19 | 116.5° | 110.4° |
C2 | C1 | H1 | 107.6° | 110.4° |
O4 | C1 | N19 | 107.2° | 110.4° |
O4 | C1 | H1 | 116.8° | 110.4° |
C1 | O4 | C4 | 113.9° | 105.3° |
N19 | C1 | H1 | 104.8° | 110.3° |
C1 | N19 | H191 | 116.5° | 106.7° |
C1 | N19 | H192 | 109.7° | 106.7° |
O4 | C4 | C5 | 111.1° | 110.4° |
O4 | C4 | H4 | 115.1° | 110.4° |
C5 | C4 | H4 | 102.0° | 110.3° |
C4 | C5 | O5 | 111.1° | 109.5° |
C4 | C5 | H51 | 111.7° | 109.5° |
C4 | C5 | H52 | 111.6° | 109.4° |
O5 | C5 | H51 | 111.6° | 109.5° |
O5 | C5 | H52 | 111.6° | 109.5° |
C5 | O5 | P15 | 127.4° | 106.8° |
H51 | C5 | H52 | 98.7° | 109.5° |
O5 | P15 | O16 | 109.8° | 109.5° |
O5 | P15 | O17 | 111.6° | 109.5° |
O5 | P15 | O18 | 102.6° | 109.5° |
H191 | N19 | H192 | 109.7° | 106.7° |
O16 | P15 | O17 | 111.4° | 109.5° |
O16 | P15 | O18 | 105.9° | 109.5° |
P15 | O16 | H16 | 109.7° | 106.8° |
O17 | P15 | O18 | 115.0° | 109.4° |
P15 | O18 | H18 | 102.6° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C3 | C2 | C4 | 127.3° | 118.7° |
O3 | C3 | C2 | H3 | 113.2° | 122.6° |
O3 | C3 | C4 | H3 | 112.9° | 122.5° |
O3 | C3 | C2 | O2 | 34.2° | 0.0° |
O3 | C3 | C2 | C1 | 158.6° | 118.8° |
O3 | C3 | C2 | H2 | 81.4° | 122.6° |
O3 | C3 | C4 | O4 | 156.8° | 142.8° |
O3 | C3 | C4 | C5 | 81.8° | 98.3° |
O3 | C3 | C4 | H4 | 33.4° | 24.0° |
C2 | C3 | C4 | H3 | 121.2° | 118.7° |
C2 | C3 | O3 | HO3 | 180.0° | 65.3° |
C3 | C2 | O2 | C1 | 117.6° | 114.7° |
C3 | C2 | O2 | H2 | 122.6° | 122.6° |
C3 | C2 | C1 | H2 | 122.7° | 118.6° |
C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
C3 | C2 | C1 | O4 | 19.1° | 23.9° |
C3 | C2 | C1 | N19 | 98.9° | 142.7° |
C3 | C2 | C1 | H1 | 143.8° | 95.0° |
C2 | C3 | C4 | O4 | 30.9° | 24.0° |
C2 | C3 | C4 | C5 | 152.3° | 143.0° |
C2 | C3 | C4 | H4 | 92.5° | 94.8° |
C4 | C3 | O3 | HO3 | 58.9° | 180.0° |
C4 | C3 | C2 | O2 | 93.0° | 118.8° |
C4 | C3 | C2 | C1 | 31.4° | 0.1° |
C4 | C3 | C2 | H2 | 151.4° | 118.7° |
C3 | C4 | O4 | C1 | 20.0° | 40.5° |
C3 | C4 | O4 | C5 | 124.6° | 119.0° |
C3 | C4 | O4 | H4 | 120.1° | 118.8° |
C3 | C4 | C5 | H4 | 119.8° | 122.3° |
C3 | C4 | C5 | O5 | 38.9° | 178.1° |
C3 | C4 | C5 | H51 | 164.1° | 58.1° |
C3 | C4 | C5 | H52 | 86.4° | 61.9° |
H3 | C3 | O3 | HO3 | 59.6° | 57.4° |
H3 | C3 | C2 | O2 | 147.4° | 122.5° |
H3 | C3 | C2 | C1 | 88.2° | 118.6° |
H3 | C3 | C2 | H2 | 31.8° | 0.0° |
H3 | C3 | C4 | O4 | 90.3° | 94.7° |
H3 | C3 | C4 | C5 | 31.1° | 24.2° |
H3 | C3 | C4 | H4 | 146.3° | 146.5° |
O2 | C2 | C1 | H2 | 115.5° | 122.7° |
O2 | C2 | C1 | O4 | 102.6° | 142.6° |
O2 | C2 | C1 | N19 | 139.3° | 98.6° |
O2 | C2 | C1 | H1 | 22.1° | 23.7° |
C1 | C2 | O2 | HO2 | 62.3° | 65.3° |
C2 | C1 | O4 | N19 | 124.2° | 118.8° |
C2 | C1 | O4 | H1 | 118.7° | 118.9° |
C2 | C1 | N19 | H1 | 118.8° | 122.3° |
C2 | C1 | O4 | C4 | 0.2° | 40.5° |
C2 | C1 | N19 | H191 | 180.0° | 178.4° |
C2 | C1 | N19 | H192 | 54.7° | 64.6° |
H2 | C2 | O2 | HO2 | 57.5° | 57.4° |
H2 | C2 | C1 | O4 | 141.9° | 94.7° |
H2 | C2 | C1 | N19 | 23.8° | 24.1° |
H2 | C2 | C1 | H1 | 93.4° | 146.4° |
O4 | C1 | N19 | H1 | 124.7° | 122.3° |
C1 | O4 | C4 | C5 | 144.6° | 159.5° |
C1 | O4 | C4 | H4 | 100.1° | 78.3° |
O4 | C1 | N19 | H191 | 63.5° | 62.9° |
O4 | C1 | N19 | H192 | 171.2° | 50.8° |
N19 | C1 | O4 | C4 | 124.3° | 159.3° |
C1 | N19 | H191 | H192 | 125.3° | 113.8° |
H1 | C1 | O4 | C4 | 118.5° | 78.4° |
H1 | C1 | N19 | H191 | 61.2° | 59.3° |
H1 | C1 | N19 | H192 | 64.1° | 173.1° |
O4 | C4 | C5 | H4 | 123.2° | 122.3° |
O4 | C4 | C5 | O5 | 78.1° | 66.4° |
O4 | C4 | C5 | H51 | 47.2° | 173.5° |
O4 | C4 | C5 | H52 | 156.7° | 53.5° |
C4 | C5 | O5 | H51 | 125.3° | 120.0° |
C4 | C5 | O5 | H52 | 125.3° | 119.9° |
C4 | C5 | H51 | H52 | 117.5° | 120.0° |
C4 | C5 | O5 | P15 | 180.0° | 180.0° |
H4 | C4 | C5 | O5 | 158.7° | 55.8° |
H4 | C4 | C5 | H51 | 76.0° | 64.2° |
H4 | C4 | C5 | H52 | 33.5° | 175.8° |
O5 | C5 | H51 | H52 | 117.4° | 120.0° |
C5 | O5 | P15 | O16 | 168.2° | 65.0° |
C5 | O5 | P15 | O17 | 44.1° | 55.0° |
C5 | O5 | P15 | O18 | 79.6° | 175.0° |
H51 | C5 | O5 | P15 | 54.7° | 60.0° |
H52 | C5 | O5 | P15 | 54.7° | 60.0° |
O5 | P15 | O16 | O17 | 124.2° | 120.0° |
O5 | P15 | O16 | O18 | 110.1° | 120.0° |
O5 | P15 | O17 | O18 | 116.4° | 120.0° |
O5 | P15 | O16 | H16 | 180.0° | 60.0° |
O5 | P15 | O18 | H18 | 179.9° | 180.0° |
O16 | P15 | O17 | O18 | 120.5° | 120.0° |
O16 | P15 | O18 | H18 | 64.9° | 60.0° |
O17 | P15 | O16 | H16 | 55.8° | 180.0° |
O17 | P15 | O18 | H18 | 58.5° | 60.1° |
O18 | P15 | O16 | H16 | 69.9° | 60.0° |