GN1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.46Å | |
C1 | O5 | sing | 1.43Å | 1.49Å | |
C1 | C2 | sing | 1.53Å | 1.57Å | |
C1 | H1 | sing | 1.10Å | 1.10Å | |
OP1 | P | sing | 1.62Å | 1.56Å | |
OP1 | HOP1 | sing | 0.98Å | 0.95Å | |
P | OP3 | doub | 1.50Å | 1.47Å | |
P | OP2 | sing | 1.62Å | 1.48Å | |
P | O1 | sing | 1.61Å | 1.60Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
C2 | C3 | sing | 1.53Å | 1.59Å | |
C2 | N2 | sing | 1.44Å | 1.50Å | |
C2 | H2 | sing | 1.10Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.50Å | |
C3 | H3 | sing | 1.10Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.63Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.10Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.51Å | |
C5 | H5 | sing | 1.10Å | 1.10Å | |
C6 | O6 | sing | 1.41Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C8 | C7 | sing | 1.49Å | 1.52Å | |
C8 | H81 | sing | 1.10Å | 1.10Å | |
C8 | H82 | sing | 1.10Å | 1.10Å | |
C8 | H83 | sing | 1.10Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
N2 | C7 | sing | 1.38Å | 1.33Å | |
N2 | HN2 | sing | 1.02Å | 1.00Å | |
C7 | O7 | doub | 1.23Å | 1.27Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O5 | 111.1° | 112.0° |
O1 | C1 | C2 | 110.1° | 110.5° |
O1 | C1 | H1 | 108.4° | 106.9° |
C1 | O1 | P | 122.9° | 118.2° |
O5 | C1 | C2 | 111.0° | 109.9° |
O5 | C1 | H1 | 107.4° | 107.4° |
C1 | O5 | C5 | 115.1° | 113.4° |
C2 | C1 | H1 | 108.6° | 110.0° |
C1 | C2 | C3 | 111.6° | 110.8° |
C1 | C2 | N2 | 108.4° | 111.1° |
C1 | C2 | H2 | 109.8° | 109.2° |
P | OP1 | HOP1 | 109.5° | 118.9° |
OP1 | P | OP3 | 106.3° | 115.3° |
OP1 | P | OP2 | 112.9° | 103.3° |
OP1 | P | O1 | 110.0° | 103.8° |
OP3 | P | OP2 | 113.5° | 115.0° |
OP3 | P | O1 | 102.9° | 115.2° |
OP2 | P | O1 | 110.7° | 102.6° |
P | OP2 | HOP2 | 109.5° | 119.0° |
C3 | C2 | N2 | 112.3° | 111.3° |
C3 | C2 | H2 | 105.6° | 108.5° |
C2 | C3 | C4 | 107.9° | 110.5° |
C2 | C3 | O3 | 110.6° | 108.7° |
C2 | C3 | H3 | 110.1° | 111.4° |
N2 | C2 | H2 | 109.0° | 105.7° |
C2 | N2 | C7 | 122.3° | 123.2° |
C2 | N2 | HN2 | 118.9° | 118.5° |
C4 | C3 | O3 | 110.3° | 108.7° |
C4 | C3 | H3 | 110.4° | 110.7° |
C3 | C4 | C5 | 109.2° | 111.3° |
C3 | C4 | O4 | 108.9° | 108.0° |
C3 | C4 | H4 | 110.5° | 109.4° |
O3 | C3 | H3 | 107.7° | 106.7° |
C3 | O3 | HO3 | 109.5° | 106.4° |
C5 | C4 | O4 | 110.8° | 110.3° |
C5 | C4 | H4 | 108.6° | 110.3° |
C4 | C5 | C6 | 113.9° | 112.1° |
C4 | C5 | O5 | 109.6° | 110.8° |
C4 | C5 | H5 | 106.0° | 110.4° |
O4 | C4 | H4 | 108.9° | 107.3° |
C4 | O4 | HO4 | 109.5° | 106.5° |
C6 | C5 | O5 | 108.6° | 107.0° |
C6 | C5 | H5 | 107.2° | 106.9° |
C5 | C6 | O6 | 108.0° | 108.6° |
C5 | C6 | H61 | 110.0° | 109.9° |
C5 | C6 | H62 | 110.3° | 109.9° |
O5 | C5 | H5 | 111.6° | 109.5° |
O6 | C6 | H61 | 110.0° | 109.4° |
O6 | C6 | H62 | 110.3° | 109.4° |
C6 | O6 | HO6 | 109.5° | 107.2° |
H61 | C6 | H62 | 108.3° | 109.8° |
C7 | C8 | H81 | 109.5° | 112.4° |
C7 | C8 | H82 | 109.5° | 112.4° |
C7 | C8 | H83 | 109.4° | 115.4° |
C8 | C7 | N2 | 114.9° | 114.0° |
C8 | C7 | O7 | 121.3° | 119.6° |
H81 | C8 | H82 | 109.5° | 105.3° |
H81 | C8 | H83 | 109.5° | 105.2° |
H82 | C8 | H83 | 109.5° | 105.3° |
C7 | N2 | HN2 | 118.8° | 118.3° |
N2 | C7 | O7 | 123.8° | 126.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O5 | C2 | 122.9° | 123.2° |
O1 | C1 | O5 | H1 | 118.5° | 117.1° |
O1 | C1 | C2 | H1 | 118.6° | 117.8° |
C1 | O1 | P | OP1 | 68.9° | 53.0° |
C1 | O1 | P | OP3 | 178.2° | 180.0° |
C1 | O1 | P | OP2 | 56.6° | 54.3° |
O1 | C1 | C2 | C3 | 69.2° | 67.7° |
O1 | C1 | C2 | N2 | 55.1° | 56.7° |
O1 | C1 | C2 | H2 | 174.1° | 172.9° |
O1 | C1 | O5 | C5 | 69.4° | 61.8° |
O5 | C1 | C2 | H1 | 117.9° | 118.1° |
O5 | C1 | O1 | P | 51.2° | 87.4° |
O5 | C1 | C2 | C3 | 54.4° | 56.4° |
O5 | C1 | C2 | N2 | 178.6° | 179.2° |
O5 | C1 | C2 | H2 | 62.4° | 63.0° |
C1 | O5 | C5 | C4 | 54.9° | 60.1° |
C1 | O5 | C5 | C6 | 179.9° | 177.5° |
C1 | O5 | C5 | H5 | 62.3° | 62.0° |
C2 | C1 | O1 | P | 174.6° | 149.7° |
C1 | C2 | C3 | N2 | 122.0° | 124.3° |
C1 | C2 | C3 | H2 | 119.3° | 119.9° |
C1 | C2 | N2 | H2 | 119.5° | 118.3° |
C1 | C2 | C3 | C4 | 59.0° | 51.6° |
C1 | C2 | C3 | O3 | 179.7° | 170.8° |
C1 | C2 | C3 | H3 | 61.5° | 71.9° |
C2 | C1 | O5 | C5 | 53.5° | 61.5° |
C1 | C2 | N2 | C7 | 152.1° | 88.4° |
C1 | C2 | N2 | HN2 | 27.9° | 91.7° |
H1 | C1 | O1 | P | 66.7° | 30.0° |
H1 | C1 | C2 | C3 | 172.3° | 174.5° |
H1 | C1 | C2 | N2 | 63.5° | 61.1° |
H1 | C1 | C2 | H2 | 55.5° | 55.1° |
H1 | C1 | O5 | C5 | 172.1° | 178.8° |
OP1 | P | OP3 | OP2 | 124.8° | 120.0° |
OP1 | P | OP3 | O1 | 115.6° | 121.0° |
OP1 | P | OP2 | O1 | 123.8° | 107.7° |
OP1 | P | OP2 | HOP2 | 130.8° | 78.5° |
HOP1 | OP1 | P | OP3 | 151.0° | 48.7° |
HOP1 | OP1 | P | OP2 | 83.9° | 77.5° |
HOP1 | OP1 | P | O1 | 40.3° | 175.7° |
OP3 | P | OP2 | O1 | 115.1° | 125.8° |
OP3 | P | OP2 | HOP2 | 108.1° | 48.0° |
O1 | P | OP2 | HOP2 | 7.0° | 173.8° |
C3 | C2 | N2 | H2 | 116.7° | 117.6° |
C2 | C3 | C4 | O3 | 120.9° | 119.2° |
C2 | C3 | C4 | H3 | 120.3° | 124.0° |
C2 | C3 | O3 | H3 | 120.3° | 120.3° |
C2 | C3 | C4 | C5 | 59.7° | 50.1° |
C2 | C3 | C4 | O4 | 179.2° | 171.3° |
C2 | C3 | C4 | H4 | 59.7° | 72.1° |
C2 | C3 | O3 | HO3 | 134.2° | 65.6° |
C3 | C2 | N2 | C7 | 84.1° | 147.5° |
C3 | C2 | N2 | HN2 | 95.9° | 32.4° |
N2 | C2 | C3 | C4 | 179.0° | 175.9° |
N2 | C2 | C3 | O3 | 58.4° | 64.9° |
N2 | C2 | C3 | H3 | 60.5° | 52.4° |
C2 | N2 | C7 | C8 | 179.1° | 179.9° |
C2 | N2 | C7 | HN2 | 180.0° | 179.9° |
C2 | N2 | C7 | O7 | 0.3° | 0.0° |
H2 | C2 | C3 | C4 | 60.3° | 68.2° |
H2 | C2 | C3 | O3 | 60.4° | 51.0° |
H2 | C2 | C3 | H3 | 179.2° | 168.2° |
H2 | C2 | N2 | C7 | 32.6° | 30.0° |
H2 | C2 | N2 | HN2 | 147.4° | 150.0° |
C4 | C3 | O3 | H3 | 120.5° | 119.5° |
C3 | C4 | C5 | O4 | 119.9° | 119.9° |
C3 | C4 | C5 | H4 | 120.5° | 121.7° |
C3 | C4 | O4 | H4 | 120.5° | 117.9° |
C3 | C4 | C5 | C6 | 179.9° | 172.8° |
C3 | C4 | C5 | O5 | 58.1° | 53.4° |
C3 | C4 | C5 | H5 | 62.5° | 68.1° |
C4 | C3 | O3 | HO3 | 106.6° | 54.7° |
C3 | C4 | O4 | HO4 | 112.1° | 43.0° |
O3 | C3 | C4 | C5 | 179.4° | 169.3° |
O3 | C3 | C4 | O4 | 58.3° | 69.5° |
O3 | C3 | C4 | H4 | 61.2° | 47.0° |
H3 | C3 | C4 | C5 | 60.6° | 73.9° |
H3 | C3 | C4 | O4 | 60.5° | 47.4° |
H3 | C3 | C4 | H4 | 180.0° | 163.9° |
H3 | C3 | O3 | HO3 | 13.9° | 174.2° |
C5 | C4 | O4 | H4 | 119.4° | 120.3° |
C4 | C5 | C6 | O5 | 122.4° | 121.7° |
C4 | C5 | C6 | H5 | 116.9° | 121.1° |
C4 | C5 | O5 | H5 | 117.2° | 122.0° |
C4 | C5 | C6 | O6 | 178.4° | 179.5° |
C4 | C5 | C6 | H61 | 58.4° | 60.0° |
C4 | C5 | C6 | H62 | 61.0° | 60.9° |
C5 | C4 | O4 | HO4 | 127.8° | 164.9° |
O4 | C4 | C5 | C6 | 60.2° | 67.3° |
O4 | C4 | C5 | O5 | 178.0° | 173.3° |
O4 | C4 | C5 | H5 | 57.4° | 51.8° |
H4 | C4 | C5 | C6 | 59.4° | 51.1° |
H4 | C4 | C5 | O5 | 62.4° | 68.3° |
H4 | C4 | C5 | H5 | 177.0° | 170.2° |
H4 | C4 | O4 | HO4 | 8.4° | 74.9° |
C6 | C5 | O5 | H5 | 117.9° | 115.5° |
C5 | C6 | O6 | H61 | 120.0° | 119.9° |
C5 | C6 | O6 | H62 | 120.6° | 119.9° |
C5 | C6 | H61 | H62 | 120.6° | 121.0° |
C5 | C6 | O6 | HO6 | 106.7° | 116.9° |
O5 | C5 | C6 | O6 | 56.0° | 57.8° |
O5 | C5 | C6 | H61 | 64.0° | 61.7° |
O5 | C5 | C6 | H62 | 176.6° | 177.4° |
H5 | C5 | C6 | O6 | 64.7° | 59.4° |
H5 | C5 | C6 | H61 | 175.3° | 178.9° |
H5 | C5 | C6 | H62 | 55.9° | 60.2° |
O6 | C6 | H61 | H62 | 120.6° | 120.0° |
H61 | C6 | O6 | HO6 | 13.3° | 2.9° |
H62 | C6 | O6 | HO6 | 132.7° | 123.2° |
C7 | C8 | H81 | H82 | 120.0° | 122.7° |
C7 | C8 | H81 | H83 | 120.0° | 126.3° |
C7 | C8 | H82 | H83 | 120.0° | 126.4° |
C8 | C7 | N2 | O7 | 179.4° | 179.9° |
C8 | C7 | N2 | HN2 | 0.9° | 0.1° |
H81 | C8 | H82 | H83 | 120.0° | 110.9° |
H81 | C8 | C7 | N2 | 35.0° | 120.8° |
H81 | C8 | C7 | O7 | 145.6° | 59.3° |
H82 | C8 | C7 | N2 | 85.0° | 120.6° |
H82 | C8 | C7 | O7 | 94.4° | 59.3° |
H83 | C8 | C7 | N2 | 155.0° | 0.1° |
H83 | C8 | C7 | O7 | 25.6° | 179.9° |
HN2 | N2 | C7 | O7 | 179.7° | 180.0° |