GGZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | N3 | doub | 1.35Å | 1.35Å | Aromatic |
C2 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | N9 | sing | 1.37Å | 1.33Å | |
C4 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
C5 | N7 | sing | 1.37Å | 1.38Å | |
C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
C6 | N6 | sing | 1.41Å | 1.35Å | |
C6 | N1 | doub | 1.35Å | 1.35Å | Aromatic |
C8 | N7 | doub | 1.32Å | 1.27Å | |
C8 | N9 | sing | 1.37Å | 1.24Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
O3P | P1 | sing | 1.62Å | 1.51Å | |
O3P | HO3P | sing | 0.98Å | 0.95Å | |
P1 | O3' | sing | 1.62Å | 1.60Å | |
P1 | O1P | doub | 1.50Å | 1.50Å | |
P1 | O2' | sing | 1.62Å | 1.61Å | |
O2' | C2' | sing | 1.44Å | 1.41Å | |
O3' | C3' | sing | 1.43Å | 1.42Å | |
C3' | C4' | sing | 1.52Å | 1.51Å | |
C3' | C2' | sing | 1.52Å | 1.52Å | |
C3' | H3' | sing | 1.10Å | 1.10Å | |
C4' | O4' | sing | 1.43Å | 1.44Å | |
C4' | C5' | sing | 1.52Å | 1.52Å | |
C4' | H4' | sing | 1.10Å | 1.10Å | |
C5' | O5' | sing | 1.42Å | 1.41Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
O5' | P2 | sing | 1.62Å | 1.60Å | |
P2 | O4P | doub | 1.50Å | 1.50Å | |
P2 | O6P | sing | 1.62Å | 1.60Å | |
P2 | O5P | sing | 1.62Å | 1.51Å | |
O5P | HO5P | sing | 0.98Å | 0.95Å | |
O6P | S2 | sing | 1.63Å | 1.62Å | |
S2 | OS1 | doub | 1.45Å | 1.46Å | |
S2 | OS3 | doub | 1.45Å | 1.45Å | |
S2 | OS2 | sing | 1.63Å | 1.49Å | |
OS2 | HOS2 | sing | 0.99Å | 0.95Å | |
C2' | C1' | sing | 1.52Å | 1.51Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C1' | O4' | sing | 1.44Å | 1.43Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N6 | HN61 | sing | 1.00Å | 1.00Å | |
N6 | HN62 | sing | 1.00Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N3 | C2 | N1 | 123.3° | 128.8° |
N3 | C2 | H2 | 118.3° | 115.6° |
C2 | N3 | C4 | 117.9° | 110.5° |
N1 | C2 | H2 | 118.4° | 115.6° |
C2 | N1 | C6 | 120.5° | 117.5° |
N9 | C4 | C5 | 107.8° | 105.2° |
N9 | C4 | N3 | 130.6° | 127.5° |
C4 | N9 | C8 | 95.0° | 107.0° |
C4 | N9 | C1' | 134.7° | 126.9° |
C5 | C4 | N3 | 121.6° | 127.3° |
C4 | C5 | N7 | 110.4° | 110.8° |
C4 | C5 | C6 | 116.7° | 116.8° |
N7 | C5 | C6 | 133.0° | 132.4° |
C5 | N7 | C8 | 90.7° | 104.9° |
C5 | C6 | N6 | 122.9° | 120.7° |
C5 | C6 | N1 | 120.0° | 119.1° |
N6 | C6 | N1 | 117.1° | 120.2° |
C6 | N6 | HN61 | 110.0° | 119.4° |
C6 | N6 | HN62 | 125.0° | 119.4° |
N7 | C8 | N9 | 136.0° | 112.2° |
N7 | C8 | H8 | 112.0° | 125.6° |
N9 | C8 | H8 | 112.0° | 122.2° |
C8 | N9 | C1' | 130.2° | 126.1° |
P1 | O3P | HO3P | 109.5° | 118.8° |
O3P | P1 | O3' | 110.3° | 103.8° |
O3P | P1 | O1P | 122.6° | 115.8° |
O3P | P1 | O2' | 108.1° | 104.1° |
O3' | P1 | O1P | 107.2° | 116.2° |
O3' | P1 | O2' | 95.5° | 98.5° |
P1 | O3' | C3' | 113.0° | 109.5° |
O1P | P1 | O2' | 109.7° | 116.2° |
P1 | O2' | C2' | 114.0° | 108.6° |
O2' | C2' | C3' | 107.0° | 105.4° |
O2' | C2' | C1' | 111.4° | 110.3° |
O2' | C2' | H2' | 109.2° | 107.9° |
O3' | C3' | C4' | 111.6° | 111.6° |
O3' | C3' | C2' | 108.7° | 108.3° |
O3' | C3' | H3' | 107.2° | 110.7° |
C4' | C3' | C2' | 105.0° | 102.5° |
C4' | C3' | H3' | 110.8° | 112.2° |
C3' | C4' | O4' | 109.2° | 105.6° |
C3' | C4' | C5' | 102.9° | 113.2° |
C3' | C4' | H4' | 114.4° | 111.5° |
C2' | C3' | H3' | 113.6° | 111.3° |
C3' | C2' | C1' | 107.3° | 103.9° |
C3' | C2' | H2' | 113.1° | 113.9° |
O4' | C4' | C5' | 111.0° | 109.8° |
O4' | C4' | H4' | 106.7° | 108.1° |
C4' | O4' | C1' | 110.4° | 108.4° |
C5' | C4' | H4' | 112.6° | 108.5° |
C4' | C5' | O5' | 105.9° | 108.7° |
C4' | C5' | H5'1 | 110.7° | 110.2° |
C4' | C5' | H5'2 | 111.5° | 110.2° |
O5' | C5' | H5'1 | 110.7° | 109.1° |
O5' | C5' | H5'2 | 111.4° | 109.2° |
C5' | O5' | P2 | 118.5° | 118.5° |
H5'1 | C5' | H5'2 | 106.7° | 109.5° |
O5' | P2 | O4P | 110.2° | 116.4° |
O5' | P2 | O6P | 98.4° | 101.6° |
O5' | P2 | O5P | 109.2° | 103.7° |
O4P | P2 | O6P | 109.1° | 116.2° |
O4P | P2 | O5P | 119.4° | 114.2° |
O6P | P2 | O5P | 108.4° | 102.8° |
P2 | O6P | S2 | 124.4° | 114.6° |
P2 | O5P | HO5P | 109.5° | 118.9° |
O6P | S2 | OS1 | 105.0° | 108.4° |
O6P | S2 | OS3 | 106.8° | 108.9° |
O6P | S2 | OS2 | 103.3° | 102.6° |
OS1 | S2 | OS3 | 113.6° | 120.6° |
OS1 | S2 | OS2 | 112.6° | 107.4° |
OS3 | S2 | OS2 | 114.4° | 107.4° |
S2 | OS2 | HOS2 | 109.5° | 115.3° |
C1' | C2' | H2' | 108.8° | 115.1° |
C2' | C1' | O4' | 108.0° | 107.8° |
C2' | C1' | N9 | 106.1° | 113.5° |
C2' | C1' | H1' | 111.5° | 112.7° |
O4' | C1' | N9 | 106.1° | 108.8° |
O4' | C1' | H1' | 111.5° | 108.5° |
N9 | C1' | H1' | 113.2° | 105.4° |
HN61 | N6 | HN62 | 125.0° | 120.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N3 | C2 | N1 | H2 | 180.0° | 180.0° |
C2 | N3 | C4 | N9 | 179.1° | 180.0° |
C2 | N3 | C4 | C5 | 0.0° | 0.0° |
N3 | C2 | N1 | C6 | 1.7° | 0.0° |
N1 | C2 | N3 | C4 | 1.0° | 0.0° |
C2 | N1 | C6 | C5 | 1.4° | 0.0° |
C2 | N1 | C6 | N6 | 179.1° | 180.0° |
H2 | C2 | N3 | C4 | 179.0° | 179.9° |
H2 | C2 | N1 | C6 | 178.3° | 180.0° |
N9 | C4 | C5 | N3 | 179.3° | 179.9° |
N9 | C4 | C5 | N7 | 0.6° | 0.0° |
N9 | C4 | C5 | C6 | 179.0° | 180.0° |
C4 | N9 | C8 | N7 | 2.7° | 0.0° |
C4 | N9 | C8 | C1' | 176.2° | 180.0° |
C4 | N9 | C8 | H8 | 177.3° | 180.0° |
C4 | N9 | C1' | C2' | 39.3° | 56.2° |
C4 | N9 | C1' | O4' | 75.4° | 63.8° |
C4 | N9 | C1' | H1' | 161.9° | 180.0° |
C4 | C5 | N7 | C6 | 179.6° | 180.0° |
C4 | C5 | C6 | N6 | 179.9° | 180.0° |
C4 | C5 | C6 | N1 | 0.5° | 0.0° |
C4 | C5 | N7 | C8 | 0.5° | 0.0° |
C5 | C4 | N9 | C8 | 1.4° | 0.0° |
C5 | C4 | N9 | C1' | 177.4° | 179.9° |
N3 | C4 | C5 | N7 | 179.9° | 179.9° |
N3 | C4 | C5 | C6 | 0.2° | 0.1° |
N3 | C4 | N9 | C8 | 179.4° | 179.9° |
N3 | C4 | N9 | C1' | 3.5° | 0.1° |
N7 | C5 | C6 | N6 | 0.4° | 0.0° |
N7 | C5 | C6 | N1 | 179.1° | 179.9° |
C5 | N7 | C8 | N9 | 2.2° | 0.0° |
C5 | N7 | C8 | H8 | 177.8° | 180.0° |
C5 | C6 | N6 | N1 | 179.5° | 180.0° |
C6 | C5 | N7 | C8 | 179.9° | 180.0° |
C5 | C6 | N6 | HN61 | 180.0° | 30.0° |
C5 | C6 | N6 | HN62 | 0.0° | 143.7° |
C6 | N6 | HN61 | HN62 | 180.0° | 173.6° |
N1 | C6 | N6 | HN61 | 0.5° | 150.0° |
N1 | C6 | N6 | HN62 | 179.5° | 36.3° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 178.9° | 179.9° |
C8 | N9 | C1' | C2' | 146.0° | 123.8° |
C8 | N9 | C1' | O4' | 99.3° | 116.2° |
C8 | N9 | C1' | H1' | 23.3° | 0.0° |
H8 | C8 | N9 | C1' | 1.1° | 0.0° |
O3P | P1 | O3' | O1P | 135.7° | 128.3° |
O3P | P1 | O3' | O2' | 111.7° | 106.9° |
O3P | P1 | O1P | O2' | 128.5° | 122.6° |
O3P | P1 | O2' | C2' | 100.5° | 86.6° |
O3P | P1 | O3' | C3' | 99.3° | 105.9° |
HO3P | O3P | P1 | O3' | 154.9° | 153.2° |
HO3P | O3P | P1 | O1P | 77.5° | 24.6° |
HO3P | O3P | P1 | O2' | 51.7° | 104.2° |
O3' | P1 | O1P | O2' | 102.6° | 115.2° |
O3' | P1 | O2' | C2' | 13.0° | 20.0° |
P1 | O3' | C3' | C4' | 123.6° | 94.9° |
P1 | O3' | C3' | C2' | 8.3° | 17.2° |
P1 | O3' | C3' | H3' | 114.9° | 139.5° |
O1P | P1 | O2' | C2' | 123.5° | 144.9° |
O1P | P1 | O3' | C3' | 124.9° | 125.8° |
O2' | P1 | O3' | C3' | 12.3° | 1.0° |
P1 | O2' | C2' | C3' | 9.5° | 31.0° |
P1 | O2' | C2' | C1' | 126.4° | 142.6° |
P1 | O2' | C2' | H2' | 113.3° | 91.0° |
O2' | C2' | C3' | O3' | 0.7° | 30.5° |
O2' | C2' | C3' | C4' | 118.8° | 87.5° |
O2' | C2' | C3' | C1' | 119.6° | 116.0° |
O2' | C2' | C3' | H2' | 120.3° | 118.0° |
O2' | C2' | C3' | H3' | 120.0° | 152.4° |
O2' | C2' | C1' | H2' | 120.5° | 122.3° |
O2' | C2' | C1' | O4' | 118.4° | 99.5° |
O2' | C2' | C1' | N9 | 128.2° | 139.9° |
O2' | C2' | C1' | H1' | 4.4° | 20.2° |
O3' | C3' | C4' | C2' | 117.6° | 115.7° |
O3' | C3' | C4' | H3' | 119.4° | 124.8° |
O3' | C3' | C2' | H3' | 119.3° | 121.9° |
O3' | C3' | C4' | O4' | 120.6° | 150.5° |
O3' | C3' | C4' | C5' | 121.4° | 89.4° |
O3' | C3' | C4' | H4' | 1.1° | 33.3° |
O3' | C3' | C2' | C1' | 120.3° | 146.5° |
O3' | C3' | C2' | H2' | 119.6° | 87.5° |
C4' | C3' | C2' | H3' | 121.2° | 120.0° |
C3' | C4' | O4' | C5' | 112.8° | 122.3° |
C3' | C4' | O4' | H4' | 124.1° | 119.5° |
C3' | C4' | C5' | H4' | 123.7° | 124.4° |
C3' | C4' | C5' | O5' | 177.2° | 179.5° |
C3' | C4' | C5' | H5'1 | 57.2° | 60.0° |
C3' | C4' | C5' | H5'2 | 61.5° | 60.9° |
C4' | C3' | C2' | C1' | 0.8° | 28.5° |
C4' | C3' | C2' | H2' | 120.9° | 154.5° |
C3' | C4' | O4' | C1' | 4.3° | 27.7° |
C2' | C3' | C4' | O4' | 3.0° | 34.8° |
C2' | C3' | C4' | C5' | 121.0° | 154.9° |
C2' | C3' | C4' | H4' | 116.5° | 82.4° |
C3' | C2' | C1' | H2' | 122.8° | 125.2° |
C3' | C2' | C1' | O4' | 1.7° | 13.0° |
C3' | C2' | C1' | N9 | 115.1° | 107.6° |
C3' | C2' | C1' | H1' | 121.2° | 132.7° |
H3' | C3' | C4' | O4' | 120.0° | 84.6° |
H3' | C3' | C4' | C5' | 2.0° | 35.5° |
H3' | C3' | C4' | H4' | 120.5° | 158.2° |
H3' | C3' | C2' | C1' | 120.4° | 91.6° |
H3' | C3' | C2' | H2' | 0.3° | 34.4° |
O4' | C4' | C5' | H4' | 119.6° | 117.9° |
O4' | C4' | C5' | O5' | 66.1° | 61.8° |
O4' | C4' | C5' | H5'1 | 173.9° | 57.7° |
O4' | C4' | C5' | H5'2 | 55.2° | 178.6° |
C4' | O4' | C1' | C2' | 3.7° | 9.0° |
C4' | O4' | C1' | N9 | 117.1° | 132.5° |
C4' | O4' | C1' | H1' | 119.2° | 113.3° |
C4' | C5' | O5' | H5'1 | 120.0° | 120.1° |
C4' | C5' | O5' | H5'2 | 121.4° | 120.2° |
C4' | C5' | H5'1 | H5'2 | 121.4° | 121.3° |
C4' | C5' | O5' | P2 | 146.0° | 120.0° |
C5' | C4' | O4' | C1' | 117.1° | 150.0° |
H4' | C4' | C5' | O5' | 53.5° | 56.1° |
H4' | C4' | C5' | H5'1 | 66.5° | 175.6° |
H4' | C4' | C5' | H5'2 | 174.9° | 63.5° |
H4' | C4' | O4' | C1' | 119.8° | 91.8° |
O5' | C5' | H5'1 | H5'2 | 121.5° | 119.5° |
C5' | O5' | P2 | O4P | 171.0° | 180.0° |
C5' | O5' | P2 | O6P | 74.9° | 52.7° |
C5' | O5' | P2 | O5P | 38.0° | 53.7° |
H5'1 | C5' | O5' | P2 | 26.0° | 0.1° |
H5'2 | C5' | O5' | P2 | 92.6° | 119.8° |
O5' | P2 | O4P | O6P | 107.0° | 119.7° |
O5' | P2 | O4P | O5P | 127.6° | 120.9° |
O5' | P2 | O6P | O5P | 113.6° | 107.2° |
O5' | P2 | O5P | HO5P | 30.4° | 174.8° |
O5' | P2 | O6P | S2 | 163.3° | 172.5° |
O4P | P2 | O6P | O5P | 131.5° | 125.4° |
O4P | P2 | O5P | HO5P | 158.4° | 47.1° |
O4P | P2 | O6P | S2 | 48.4° | 60.1° |
O6P | P2 | O5P | HO5P | 75.9° | 79.6° |
P2 | O6P | S2 | OS1 | 81.2° | 73.0° |
P2 | O6P | S2 | OS3 | 39.7° | 60.0° |
P2 | O6P | S2 | OS2 | 160.7° | 173.6° |
O5P | P2 | O6P | S2 | 83.1° | 65.4° |
O6P | S2 | OS1 | OS3 | 116.4° | 126.4° |
O6P | S2 | OS1 | OS2 | 111.6° | 110.2° |
O6P | S2 | OS3 | OS2 | 113.6° | 110.4° |
O6P | S2 | OS2 | HOS2 | 140.2° | 46.8° |
OS1 | S2 | OS3 | OS2 | 131.1° | 123.4° |
OS1 | S2 | OS2 | HOS2 | 27.5° | 67.3° |
OS3 | S2 | OS2 | HOS2 | 104.1° | 161.5° |
C2' | C1' | O4' | N9 | 113.4° | 123.5° |
C2' | C1' | O4' | H1' | 122.9° | 122.3° |
C2' | C1' | N9 | H1' | 122.6° | 123.8° |
H2' | C2' | C1' | O4' | 121.1° | 138.2° |
H2' | C2' | C1' | N9 | 7.7° | 17.6° |
H2' | C2' | C1' | H1' | 116.0° | 102.1° |
O4' | C1' | N9 | H1' | 122.6° | 116.2° |