GC9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O9 | C9 | sing | 1.43Å | 1.38Å | |
C9 | C8 | sing | 1.53Å | 1.62Å | |
C8 | O8 | sing | 1.43Å | 1.42Å | |
C8 | C7 | sing | 1.53Å | 1.53Å | |
O7 | C7 | sing | 1.43Å | 1.44Å | |
C7 | C6 | sing | 1.53Å | 1.53Å | |
O10 | C10 | doub | 1.21Å | 1.23Å | |
C11 | C10 | sing | 1.51Å | 1.48Å | |
C11 | O11 | sing | 1.43Å | 1.51Å | |
C10 | N5 | sing | 1.35Å | 1.36Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
N5 | C5 | sing | 1.47Å | 1.48Å | |
O6 | C2 | sing | 1.35Å | 1.36Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
O1A | C1 | doub | 1.21Å | 1.25Å | |
C2 | C1 | sing | 1.47Å | 1.39Å | |
C2 | C3 | doub | 1.32Å | 1.39Å | |
C1 | O1B | sing | 1.35Å | 1.25Å | |
C4 | C3 | sing | 1.50Å | 1.40Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
O1B | HO1B | sing | 0.97Å | 0.95Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
O9 | HO9 | sing | 0.97Å | 0.95Å | |
O11 | HO11 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O9 | C9 | C8 | 102.6° | 109.5° |
O9 | C9 | H91 | 111.2° | 109.5° |
O9 | C9 | H92 | 111.2° | 109.4° |
C9 | O9 | HO9 | 109.5° | 114.0° |
C9 | C8 | O8 | 109.7° | 109.5° |
C9 | C8 | C7 | 109.5° | 109.5° |
C9 | C8 | H8 | 107.7° | 109.5° |
C8 | C9 | H91 | 111.2° | 109.5° |
C8 | C9 | H92 | 111.1° | 109.5° |
O8 | C8 | C7 | 111.0° | 109.5° |
O8 | C8 | H8 | 110.2° | 109.4° |
C8 | O8 | HO8 | 109.5° | 114.0° |
C8 | C7 | O7 | 109.0° | 109.4° |
C8 | C7 | C6 | 111.8° | 109.5° |
C8 | C7 | H7 | 109.1° | 109.4° |
C7 | C8 | H8 | 108.7° | 109.5° |
O7 | C7 | C6 | 107.4° | 109.5° |
O7 | C7 | H7 | 110.3° | 109.5° |
C7 | O7 | HO7 | 109.5° | 113.9° |
C7 | C6 | O6 | 110.3° | 109.6° |
C7 | C6 | C5 | 110.8° | 109.7° |
C7 | C6 | H6 | 109.1° | 109.7° |
C6 | C7 | H7 | 109.2° | 109.5° |
O10 | C10 | C11 | 119.5° | 120.0° |
O10 | C10 | N5 | 123.4° | 120.0° |
C10 | C11 | O11 | 100.7° | 109.5° |
C11 | C10 | N5 | 117.0° | 120.0° |
C10 | C11 | H112 | 111.6° | 109.5° |
C10 | C11 | H111 | 111.6° | 109.5° |
O11 | C11 | H112 | 111.6° | 109.5° |
O11 | C11 | H111 | 111.6° | 109.5° |
C11 | O11 | HO11 | 109.5° | 114.0° |
C10 | N5 | C5 | 138.9° | 120.1° |
C10 | N5 | HN5 | 110.5° | 120.0° |
O6 | C6 | C5 | 107.2° | 108.3° |
C6 | O6 | C2 | 112.7° | 117.5° |
O6 | C6 | H6 | 110.4° | 109.7° |
C6 | C5 | N5 | 109.6° | 109.7° |
C6 | C5 | C4 | 107.1° | 108.2° |
C5 | C6 | H6 | 109.0° | 109.8° |
C6 | C5 | H5 | 108.9° | 109.8° |
N5 | C5 | C4 | 112.5° | 109.7° |
N5 | C5 | H5 | 109.6° | 109.7° |
C5 | N5 | HN5 | 110.5° | 119.9° |
O6 | C2 | C1 | 114.9° | 118.5° |
O6 | C2 | C3 | 123.2° | 123.0° |
C5 | C4 | C3 | 110.5° | 109.4° |
C5 | C4 | O4 | 111.6° | 109.4° |
C5 | C4 | H4 | 108.1° | 109.5° |
C4 | C5 | H5 | 109.0° | 109.7° |
O1A | C1 | C2 | 119.9° | 120.0° |
O1A | C1 | O1B | 119.8° | 120.0° |
C1 | C2 | C3 | 121.9° | 118.5° |
C2 | C1 | O1B | 120.3° | 120.0° |
C2 | C3 | C4 | 122.3° | 122.3° |
C2 | C3 | H3 | 118.9° | 118.8° |
C1 | O1B | HO1B | 109.5° | 117.1° |
C3 | C4 | O4 | 107.8° | 109.5° |
C3 | C4 | H4 | 109.7° | 109.5° |
C4 | C3 | H3 | 118.9° | 118.8° |
O4 | C4 | H4 | 109.2° | 109.4° |
C4 | O4 | HO4 | 109.5° | 114.0° |
H91 | C9 | H92 | 109.5° | 109.5° |
H112 | C11 | H111 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O9 | C9 | C8 | H91 | 118.9° | 120.0° |
O9 | C9 | C8 | H92 | 118.9° | 120.0° |
O9 | C9 | C8 | O8 | 139.1° | 65.0° |
O9 | C9 | C8 | C7 | 98.9° | 175.0° |
O9 | C9 | C8 | H8 | 19.2° | 55.0° |
O9 | C9 | H91 | H92 | 123.2° | 120.0° |
C9 | C8 | O8 | C7 | 121.2° | 120.1° |
C9 | C8 | O8 | H8 | 118.4° | 120.0° |
C9 | C8 | C7 | H8 | 117.4° | 120.0° |
C9 | C8 | C7 | O7 | 61.3° | 55.0° |
C9 | C8 | C7 | C6 | 180.0° | 175.0° |
C9 | C8 | C7 | H7 | 59.2° | 65.0° |
C8 | C9 | H91 | H92 | 123.2° | 120.0° |
C9 | C8 | O8 | HO8 | 180.0° | 60.1° |
C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
O8 | C8 | C7 | H8 | 121.3° | 119.9° |
O8 | C8 | C7 | O7 | 60.0° | 65.1° |
O8 | C8 | C7 | C6 | 58.7° | 54.9° |
O8 | C8 | C7 | H7 | 179.5° | 175.0° |
O8 | C8 | C9 | H91 | 20.2° | 175.0° |
O8 | C8 | C9 | H92 | 102.0° | 55.0° |
C8 | C7 | O7 | C6 | 121.4° | 120.0° |
C8 | C7 | O7 | H7 | 119.7° | 120.0° |
C8 | C7 | C6 | H7 | 120.7° | 120.0° |
C8 | C7 | C6 | O6 | 61.7° | 60.0° |
C8 | C7 | C6 | C5 | 179.7° | 178.8° |
C8 | C7 | C6 | H6 | 59.7° | 60.5° |
C7 | C8 | C9 | H91 | 142.2° | 55.0° |
C7 | C8 | C9 | H92 | 20.0° | 65.0° |
C8 | C7 | O7 | HO7 | 180.0° | 60.0° |
C7 | C8 | O8 | HO8 | 58.9° | 60.0° |
O7 | C7 | C6 | H7 | 119.7° | 120.0° |
O7 | C7 | C6 | O6 | 178.7° | 180.0° |
O7 | C7 | C6 | C5 | 60.1° | 61.2° |
O7 | C7 | C6 | H6 | 59.9° | 59.5° |
O7 | C7 | C8 | H8 | 178.7° | 175.0° |
C7 | C6 | O6 | C5 | 120.7° | 119.6° |
C7 | C6 | O6 | H6 | 120.7° | 120.6° |
C7 | C6 | C5 | H6 | 120.1° | 120.6° |
C7 | C6 | C5 | N5 | 48.1° | 57.7° |
C7 | C6 | O6 | C2 | 173.9° | 167.6° |
C7 | C6 | C5 | C4 | 170.5° | 177.3° |
C7 | C6 | C5 | H5 | 71.7° | 62.9° |
C6 | C7 | C8 | H8 | 62.6° | 65.0° |
C6 | C7 | O7 | HO7 | 58.6° | 60.0° |
O10 | C10 | C11 | N5 | 176.2° | 180.0° |
O10 | C10 | C11 | O11 | 91.2° | 0.0° |
O10 | C10 | N5 | C5 | 0.6° | 0.0° |
O10 | C10 | C11 | H112 | 150.2° | 120.1° |
O10 | C10 | C11 | H111 | 27.4° | 120.0° |
O10 | C10 | N5 | HN5 | 179.4° | 180.0° |
C10 | C11 | O11 | H112 | 118.5° | 120.0° |
C10 | C11 | O11 | H111 | 118.6° | 120.1° |
C11 | C10 | N5 | C5 | 176.6° | 180.0° |
C10 | C11 | H112 | H111 | 124.1° | 120.0° |
C11 | C10 | N5 | HN5 | 3.4° | 0.0° |
C10 | C11 | O11 | HO11 | 180.0° | 180.0° |
O11 | C11 | C10 | N5 | 92.6° | 180.0° |
O11 | C11 | H112 | H111 | 124.1° | 120.0° |
C10 | N5 | C5 | C6 | 113.9° | 155.0° |
C10 | N5 | C5 | HN5 | 180.0° | 179.9° |
C10 | N5 | C5 | C4 | 127.0° | 86.2° |
C10 | N5 | C5 | H5 | 5.5° | 34.3° |
N5 | C10 | C11 | H112 | 25.9° | 60.0° |
N5 | C10 | C11 | H111 | 148.8° | 60.0° |
O6 | C6 | C5 | H6 | 119.5° | 119.7° |
O6 | C6 | C5 | N5 | 168.6° | 177.3° |
O6 | C6 | C5 | C4 | 69.1° | 63.0° |
C6 | O6 | C2 | C1 | 161.0° | 163.3° |
C6 | O6 | C2 | C3 | 19.1° | 16.7° |
O6 | C6 | C5 | H5 | 48.7° | 56.7° |
O6 | C6 | C7 | H7 | 59.0° | 60.0° |
C6 | C5 | N5 | C4 | 119.1° | 118.8° |
C6 | C5 | N5 | H5 | 119.4° | 120.7° |
C5 | C6 | O6 | C2 | 53.2° | 47.9° |
C6 | C5 | C4 | H5 | 117.7° | 119.8° |
C6 | C5 | C4 | C3 | 48.5° | 47.2° |
C6 | C5 | C4 | O4 | 168.5° | 167.2° |
C6 | C5 | C4 | H4 | 71.4° | 72.8° |
C5 | C6 | C7 | H7 | 59.5° | 58.8° |
C6 | C5 | N5 | HN5 | 66.1° | 24.9° |
N5 | C5 | C4 | H5 | 121.8° | 120.5° |
N5 | C5 | C4 | C3 | 169.1° | 166.9° |
N5 | C5 | C4 | O4 | 71.0° | 73.1° |
N5 | C5 | C4 | H4 | 49.1° | 46.8° |
N5 | C5 | C6 | H6 | 72.0° | 63.0° |
O6 | C2 | C1 | O1A | 0.6° | 180.0° |
O6 | C2 | C1 | C3 | 179.8° | 180.0° |
O6 | C2 | C1 | O1B | 179.4° | 0.0° |
O6 | C2 | C3 | C4 | 1.2° | 0.4° |
O6 | C2 | C3 | H3 | 178.8° | 179.6° |
C2 | O6 | C6 | H6 | 65.4° | 71.9° |
C5 | C4 | C3 | C2 | 15.3° | 17.5° |
C5 | C4 | C3 | O4 | 122.2° | 120.0° |
C5 | C4 | C3 | H4 | 119.0° | 120.0° |
C5 | C4 | O4 | H4 | 119.4° | 120.0° |
C5 | C4 | C3 | H3 | 164.7° | 162.4° |
C4 | C5 | C6 | H6 | 50.4° | 56.7° |
C4 | C5 | N5 | HN5 | 53.0° | 93.8° |
C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
O1A | C1 | C2 | O1B | 179.9° | 180.0° |
O1A | C1 | C2 | C3 | 179.5° | 0.0° |
O1A | C1 | O1B | HO1B | 0.0° | 0.0° |
C1 | C2 | C3 | C4 | 178.6° | 179.6° |
C1 | C2 | C3 | H3 | 1.4° | 0.5° |
C2 | C1 | O1B | HO1B | 179.9° | 180.0° |
C3 | C2 | C1 | O1B | 0.4° | 180.0° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | O4 | 137.5° | 137.5° |
C2 | C3 | C4 | H4 | 103.7° | 102.5° |
C3 | C4 | O4 | H4 | 119.1° | 120.1° |
C3 | C4 | C5 | H5 | 69.1° | 72.6° |
C3 | C4 | O4 | HO4 | 58.5° | 60.0° |
O4 | C4 | C3 | H3 | 42.5° | 42.4° |
O4 | C4 | C5 | H5 | 50.8° | 47.4° |
H4 | C4 | C3 | H3 | 76.3° | 77.6° |
H4 | C4 | C5 | H5 | 170.9° | 167.4° |
H4 | C4 | O4 | HO4 | 60.6° | 60.1° |
H6 | C6 | C5 | H5 | 168.2° | 176.4° |
H6 | C6 | C7 | H7 | 179.6° | 179.5° |
H5 | C5 | N5 | HN5 | 174.5° | 145.6° |
H7 | C7 | C8 | H8 | 58.2° | 55.0° |
H7 | C7 | O7 | HO7 | 60.3° | 180.0° |
H8 | C8 | C9 | H91 | 99.7° | 65.1° |
H8 | C8 | C9 | H92 | 138.0° | 175.0° |
H8 | C8 | O8 | HO8 | 61.6° | 180.0° |
H91 | C9 | O9 | HO9 | 61.1° | 60.0° |
H92 | C9 | O9 | HO9 | 61.2° | 60.0° |
H112 | C11 | O11 | HO11 | 61.5° | 60.0° |
H111 | C11 | O11 | HO11 | 61.4° | 60.0° |