GP1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C1 | O5 | sing | 1.42Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | N2 | sing | 1.47Å | 1.46Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
N2 | HN21 | sing | 1.01Å | 1.02Å | |
N2 | HN22 | sing | 1.01Å | 1.02Å | |
O1 | P4B | sing | 1.61Å | 1.50Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O7B | P4B | sing | 1.61Å | 1.49Å | |
O7B | HOP1 | sing | 0.97Å | 0.95Å | |
P4B | O8B | doub | 1.48Å | 1.48Å | |
P4B | O9B | sing | 1.61Å | 1.48Å | |
O9B | HOP2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.3° | 109.3° |
C2 | C1 | O5 | 109.5° | 109.9° |
C2 | C1 | H1 | 108.6° | 109.5° |
C1 | C2 | C3 | 111.2° | 109.1° |
C1 | C2 | N2 | 113.7° | 109.6° |
C1 | C2 | H2 | 106.3° | 109.5° |
O1 | C1 | O5 | 110.5° | 109.4° |
O1 | C1 | H1 | 107.6° | 109.4° |
C1 | O1 | P4B | 111.3° | 106.9° |
O5 | C1 | H1 | 109.4° | 109.4° |
C1 | O5 | C5 | 115.1° | 107.7° |
C3 | C2 | N2 | 112.1° | 109.6° |
C3 | C2 | H2 | 107.9° | 109.5° |
C2 | C3 | C4 | 108.8° | 108.7° |
C2 | C3 | O3 | 109.5° | 109.6° |
C2 | C3 | H3 | 110.0° | 109.6° |
N2 | C2 | H2 | 105.2° | 109.5° |
C2 | N2 | HN21 | 113.6° | 106.7° |
C2 | N2 | HN22 | 110.7° | 106.7° |
C4 | C3 | O3 | 110.0° | 109.7° |
C4 | C3 | H3 | 109.6° | 109.6° |
C3 | C4 | C5 | 111.6° | 109.0° |
C3 | C4 | O4 | 110.0° | 109.6° |
C3 | C4 | H4 | 107.8° | 109.6° |
O3 | C3 | H3 | 108.9° | 109.6° |
C3 | O3 | HO3 | 109.5° | 106.8° |
C5 | C4 | O4 | 109.7° | 109.6° |
C5 | C4 | H4 | 108.1° | 109.6° |
C4 | C5 | C6 | 110.4° | 109.4° |
C4 | C5 | O5 | 111.0° | 109.8° |
C4 | C5 | H5 | 107.7° | 109.5° |
O4 | C4 | H4 | 109.7° | 109.5° |
C4 | O4 | HO4 | 110.0° | 106.8° |
C6 | C5 | O5 | 109.2° | 109.4° |
C6 | C5 | H5 | 109.5° | 109.4° |
C5 | C6 | O6 | 110.9° | 109.5° |
C5 | C6 | H61 | 111.7° | 109.5° |
C5 | C6 | H62 | 111.7° | 109.5° |
O5 | C5 | H5 | 108.9° | 109.4° |
O6 | C6 | H61 | 111.7° | 109.4° |
O6 | C6 | H62 | 111.7° | 109.5° |
C6 | O6 | HO6 | 110.9° | 106.8° |
H61 | C6 | H62 | 98.7° | 109.4° |
HN21 | N2 | HN22 | 110.7° | 106.7° |
O1 | P4B | O7B | 108.4° | 109.5° |
O1 | P4B | O8B | 107.7° | 109.5° |
O1 | P4B | O9B | 107.4° | 109.5° |
P4B | O7B | HOP1 | 108.4° | 106.9° |
O7B | P4B | O8B | 111.3° | 109.5° |
O7B | P4B | O9B | 110.9° | 109.4° |
O8B | P4B | O9B | 111.0° | 109.5° |
P4B | O9B | HOP2 | 107.4° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 121.9° | 120.3° |
C2 | C1 | O1 | H1 | 118.8° | 119.9° |
C2 | C1 | O5 | H1 | 118.9° | 120.3° |
C1 | C2 | C3 | N2 | 128.5° | 120.0° |
C1 | C2 | C3 | H2 | 116.2° | 119.9° |
C1 | C2 | N2 | H2 | 115.8° | 120.2° |
C1 | C2 | C3 | C4 | 55.5° | 53.7° |
C1 | C2 | C3 | O3 | 175.7° | 173.6° |
C1 | C2 | C3 | H3 | 64.6° | 66.1° |
C2 | C1 | O5 | C5 | 58.0° | 67.5° |
C1 | C2 | N2 | HN21 | 180.0° | 60.2° |
C1 | C2 | N2 | HN22 | 54.8° | 174.0° |
C2 | C1 | O1 | P4B | 149.6° | 149.7° |
O1 | C1 | O5 | H1 | 118.2° | 119.8° |
O1 | C1 | C2 | C3 | 65.4° | 58.9° |
O1 | C1 | C2 | N2 | 62.3° | 61.0° |
O1 | C1 | C2 | H2 | 177.4° | 178.8° |
O1 | C1 | O5 | C5 | 64.9° | 52.5° |
C1 | O1 | P4B | O7B | 40.9° | 180.0° |
C1 | O1 | P4B | O8B | 79.6° | 60.0° |
C1 | O1 | P4B | O9B | 160.8° | 60.0° |
O5 | C1 | C2 | C3 | 57.1° | 61.1° |
O5 | C1 | C2 | N2 | 175.3° | 179.0° |
O5 | C1 | C2 | H2 | 60.1° | 58.8° |
C1 | O5 | C5 | C4 | 56.3° | 67.5° |
C1 | O5 | C5 | C6 | 178.3° | 172.4° |
C1 | O5 | C5 | H5 | 62.2° | 52.6° |
O5 | C1 | O1 | P4B | 88.6° | 90.0° |
H1 | C1 | C2 | C3 | 176.4° | 178.8° |
H1 | C1 | C2 | N2 | 55.9° | 58.8° |
H1 | C1 | C2 | H2 | 59.3° | 61.4° |
H1 | C1 | O5 | C5 | 176.9° | 172.3° |
H1 | C1 | O1 | P4B | 30.7° | 29.8° |
C3 | C2 | N2 | H2 | 117.1° | 120.2° |
C2 | C3 | C4 | O3 | 120.0° | 119.9° |
C2 | C3 | C4 | H3 | 120.4° | 119.8° |
C2 | C3 | O3 | H3 | 120.4° | 120.3° |
C2 | C3 | C4 | C5 | 53.2° | 53.7° |
C2 | C3 | C4 | O4 | 175.2° | 173.6° |
C2 | C3 | C4 | H4 | 65.3° | 66.2° |
C3 | C2 | N2 | HN21 | 52.9° | 179.9° |
C3 | C2 | N2 | HN22 | 178.1° | 66.4° |
C2 | C3 | O3 | HO3 | 180.0° | 179.9° |
N2 | C2 | C3 | C4 | 176.1° | 173.6° |
N2 | C2 | C3 | O3 | 55.8° | 66.5° |
N2 | C2 | C3 | H3 | 63.8° | 53.8° |
C2 | N2 | HN21 | HN22 | 125.2° | 113.8° |
H2 | C2 | C3 | C4 | 60.7° | 66.2° |
H2 | C2 | C3 | O3 | 59.6° | 53.7° |
H2 | C2 | C3 | H3 | 179.2° | 174.0° |
H2 | C2 | N2 | HN21 | 64.2° | 60.0° |
H2 | C2 | N2 | HN22 | 61.0° | 53.8° |
C4 | C3 | O3 | H3 | 120.1° | 120.4° |
C3 | C4 | C5 | O4 | 122.1° | 119.9° |
C3 | C4 | C5 | H4 | 118.3° | 119.9° |
C3 | C4 | O4 | H4 | 118.4° | 120.2° |
C3 | C4 | C5 | C6 | 174.3° | 178.7° |
C3 | C4 | C5 | O5 | 53.0° | 61.2° |
C3 | C4 | C5 | H5 | 66.2° | 58.8° |
C4 | C3 | O3 | HO3 | 60.4° | 60.8° |
C3 | C4 | O4 | HO4 | 180.0° | 179.9° |
O3 | C3 | C4 | C5 | 173.2° | 173.6° |
O3 | C3 | C4 | O4 | 64.8° | 66.5° |
O3 | C3 | C4 | H4 | 54.7° | 53.7° |
H3 | C3 | C4 | C5 | 67.1° | 66.0° |
H3 | C3 | C4 | O4 | 54.8° | 53.9° |
H3 | C3 | C4 | H4 | 174.3° | 174.1° |
H3 | C3 | O3 | HO3 | 59.6° | 59.6° |
C5 | C4 | O4 | H4 | 118.6° | 120.2° |
C4 | C5 | C6 | O5 | 122.4° | 120.3° |
C4 | C5 | C6 | H5 | 118.4° | 120.0° |
C4 | C5 | O5 | H5 | 118.5° | 120.1° |
C4 | C5 | C6 | O6 | 13.2° | 180.0° |
C4 | C5 | C6 | H61 | 138.5° | 60.0° |
C4 | C5 | C6 | H62 | 112.0° | 60.0° |
C5 | C4 | O4 | HO4 | 57.0° | 60.4° |
O4 | C4 | C5 | C6 | 63.6° | 58.8° |
O4 | C4 | C5 | O5 | 175.1° | 178.8° |
O4 | C4 | C5 | H5 | 55.9° | 61.1° |
H4 | C4 | C5 | C6 | 55.9° | 61.4° |
H4 | C4 | C5 | O5 | 65.4° | 58.7° |
H4 | C4 | C5 | H5 | 175.5° | 178.7° |
H4 | C4 | O4 | HO4 | 61.6° | 59.8° |
C6 | C5 | O5 | H5 | 119.6° | 119.8° |
C5 | C6 | O6 | H61 | 125.3° | 120.0° |
C5 | C6 | O6 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H62 | 117.6° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 109.2° | 59.7° |
O5 | C5 | C6 | H61 | 16.1° | 179.7° |
O5 | C5 | C6 | H62 | 125.6° | 60.3° |
H5 | C5 | C6 | O6 | 131.6° | 60.0° |
H5 | C5 | C6 | H61 | 103.1° | 59.9° |
H5 | C5 | C6 | H62 | 6.4° | 179.9° |
O6 | C6 | H61 | H62 | 117.6° | 120.0° |
H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
H62 | C6 | O6 | HO6 | 54.7° | 59.9° |
O1 | P4B | O7B | O8B | 118.2° | 120.0° |
O1 | P4B | O7B | O9B | 117.7° | 120.0° |
O1 | P4B | O7B | HOP1 | 179.9° | 179.9° |
O1 | P4B | O8B | O9B | 117.3° | 120.0° |
O1 | P4B | O9B | HOP2 | 179.9° | 60.0° |
O7B | P4B | O8B | O9B | 124.1° | 120.0° |
O7B | P4B | O9B | HOP2 | 61.7° | 60.0° |
HOP1 | O7B | P4B | O8B | 61.8° | 59.9° |
HOP1 | O7B | P4B | O9B | 62.3° | 60.1° |
O8B | P4B | O9B | HOP2 | 62.6° | 180.0° |