GB6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C10 | sing | 1.38Å | 1.49Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C8 | sing | 1.51Å | 1.55Å | |
C8 | C9 | sing | 1.53Å | 1.57Å | |
C8 | N7 | sing | 1.47Å | 1.52Å | |
C9 | O9 | sing | 1.43Å | 1.42Å | |
N7 | C6 | sing | 1.47Å | 1.49Å | |
C6 | C5 | sing | 1.53Å | 1.54Å | |
C5 | N1 | sing | 1.47Å | 1.48Å | |
C5 | C4 | sing | 1.54Å | 1.55Å | |
N1 | C2 | sing | 1.34Å | 1.32Å | |
C2 | O2 | doub | 1.21Å | 1.25Å | |
C2 | C3 | sing | 1.51Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.46Å | |
C3 | C4 | sing | 1.55Å | 1.51Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
O9 | HO9 | sing | 0.97Å | 0.95Å | |
N7 | HN7 | sing | 1.01Å | 1.00Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C15 | C10 | 116.3° | 120.0° |
C15 | C14 | C13 | 122.2° | 120.0° |
C14 | C15 | H15 | 121.8° | 120.0° |
C15 | C14 | H14 | 118.9° | 120.0° |
C15 | C10 | C11 | 120.1° | 120.0° |
C15 | C10 | C8 | 117.7° | 120.0° |
C10 | C15 | H15 | 121.9° | 120.0° |
C14 | C13 | C12 | 121.0° | 120.0° |
C13 | C14 | H14 | 118.9° | 120.0° |
C14 | C13 | H13 | 119.5° | 120.0° |
C13 | C12 | C11 | 119.8° | 120.0° |
C12 | C13 | H13 | 119.5° | 120.0° |
C13 | C12 | H12 | 120.1° | 120.1° |
C12 | C11 | C10 | 120.5° | 120.0° |
C11 | C12 | H12 | 120.1° | 119.9° |
C12 | C11 | H11 | 119.7° | 120.0° |
C11 | C10 | C8 | 122.2° | 120.0° |
C10 | C11 | H11 | 119.7° | 120.0° |
C10 | C8 | C9 | 104.8° | 109.5° |
C10 | C8 | N7 | 111.6° | 109.5° |
C10 | C8 | H8 | 111.2° | 109.5° |
C9 | C8 | N7 | 109.6° | 109.4° |
C8 | C9 | O9 | 103.9° | 109.5° |
C9 | C8 | H8 | 113.1° | 109.5° |
C8 | C9 | H9 | 111.4° | 109.5° |
C8 | C9 | H9A | 112.6° | 109.5° |
C8 | N7 | C6 | 111.7° | 111.0° |
N7 | C8 | H8 | 106.5° | 109.5° |
C8 | N7 | HN7 | 108.7° | 110.9° |
O9 | C9 | H9 | 111.4° | 109.4° |
O9 | C9 | H9A | 112.6° | 109.4° |
C9 | O9 | HO9 | 109.5° | 114.1° |
N7 | C6 | C5 | 113.4° | 109.5° |
C6 | N7 | HN7 | 108.7° | 111.0° |
N7 | C6 | H6 | 108.2° | 109.5° |
N7 | C6 | H6A | 107.2° | 109.5° |
C6 | C5 | N1 | 106.9° | 110.2° |
C6 | C5 | C4 | 114.6° | 110.3° |
C5 | C6 | H6 | 108.2° | 109.5° |
C5 | C6 | H6A | 107.3° | 109.5° |
C6 | C5 | H5 | 105.4° | 110.2° |
N1 | C5 | C4 | 100.8° | 105.5° |
C5 | N1 | C2 | 116.0° | 111.3° |
N1 | C5 | H5 | 118.3° | 110.2° |
C5 | N1 | HN1 | 122.0° | 124.3° |
C5 | C4 | C3 | 107.5° | 101.8° |
C5 | C4 | O4 | 110.5° | 111.0° |
C4 | C5 | H5 | 111.1° | 110.3° |
C5 | C4 | H4 | 111.3° | 111.0° |
N1 | C2 | O2 | 127.4° | 124.9° |
N1 | C2 | C3 | 109.0° | 110.1° |
C2 | N1 | HN1 | 122.0° | 124.4° |
O2 | C2 | C3 | 123.6° | 124.9° |
C2 | C3 | O3 | 106.6° | 110.5° |
C2 | C3 | C4 | 104.0° | 104.2° |
C2 | C3 | H3 | 115.3° | 110.5° |
O3 | C3 | C4 | 111.3° | 110.5° |
O3 | C3 | H3 | 108.6° | 110.4° |
C3 | O3 | HO3 | 109.5° | 114.1° |
C3 | C4 | O4 | 112.7° | 111.0° |
C4 | C3 | H3 | 110.9° | 110.6° |
C3 | C4 | H4 | 109.0° | 111.0° |
O4 | C4 | H4 | 106.0° | 110.9° |
C4 | O4 | HO4 | 109.5° | 114.0° |
H9 | C9 | H9A | 105.3° | 109.5° |
H6 | C6 | H6A | 112.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C15 | C10 | H15 | 180.0° | 179.7° |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 1.1° | 0.0° |
C14 | C15 | C10 | C11 | 0.1° | 0.0° |
C14 | C15 | C10 | C8 | 178.5° | 180.0° |
C15 | C14 | C13 | H13 | 178.8° | 179.9° |
C10 | C15 | C14 | C13 | 1.0° | 0.0° |
C15 | C10 | C11 | C12 | 0.8° | 0.1° |
C15 | C10 | C11 | C8 | 178.6° | 180.0° |
C15 | C10 | C8 | C9 | 125.2° | 100.0° |
C15 | C10 | C8 | N7 | 116.2° | 140.0° |
C10 | C15 | C14 | H14 | 178.9° | 180.0° |
C15 | C10 | C11 | H11 | 179.2° | 180.0° |
C15 | C10 | C8 | H8 | 2.7° | 20.0° |
C14 | C13 | C12 | H13 | 180.0° | 179.9° |
C14 | C13 | C12 | C11 | 0.2° | 0.0° |
C13 | C14 | C15 | H15 | 178.9° | 179.7° |
C14 | C13 | C12 | H12 | 179.8° | 180.0° |
C13 | C12 | C11 | H12 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 0.7° | 0.1° |
C12 | C13 | C14 | H14 | 178.8° | 180.0° |
C13 | C12 | C11 | H11 | 179.3° | 180.0° |
C12 | C11 | C10 | H11 | 180.0° | 179.9° |
C12 | C11 | C10 | C8 | 179.3° | 180.0° |
C11 | C12 | C13 | H13 | 179.8° | 180.0° |
C11 | C10 | C8 | C9 | 53.4° | 79.9° |
C11 | C10 | C8 | N7 | 65.2° | 40.0° |
C11 | C10 | C15 | H15 | 179.9° | 179.7° |
C10 | C11 | C12 | H12 | 179.3° | 179.9° |
C11 | C10 | C8 | H8 | 176.0° | 160.1° |
C10 | C8 | C9 | N7 | 119.9° | 120.0° |
C10 | C8 | C9 | H8 | 121.3° | 120.0° |
C10 | C8 | N7 | H8 | 121.6° | 120.0° |
C10 | C8 | C9 | O9 | 169.6° | 55.0° |
C10 | C8 | N7 | C6 | 54.3° | 155.0° |
C8 | C10 | C15 | H15 | 1.5° | 0.3° |
C8 | C10 | C11 | H11 | 0.6° | 0.0° |
C10 | C8 | C9 | H9 | 70.5° | 65.0° |
C10 | C8 | C9 | H9A | 47.5° | 175.0° |
C10 | C8 | N7 | HN7 | 65.7° | 31.0° |
C9 | C8 | N7 | H8 | 122.7° | 120.0° |
C8 | C9 | O9 | H9 | 120.0° | 120.0° |
C8 | C9 | O9 | H9A | 122.1° | 120.0° |
C9 | C8 | N7 | C6 | 170.0° | 85.0° |
C8 | C9 | H9 | H9A | 122.3° | 120.1° |
C8 | C9 | O9 | HO9 | 9.3° | 180.0° |
C9 | C8 | N7 | HN7 | 50.1° | 151.0° |
N7 | C8 | C9 | O9 | 70.5° | 65.0° |
C8 | N7 | C6 | HN7 | 120.0° | 123.9° |
C8 | N7 | C6 | C5 | 168.6° | 180.0° |
N7 | C8 | C9 | H9 | 49.5° | 175.0° |
N7 | C8 | C9 | H9A | 167.4° | 55.0° |
C8 | N7 | C6 | H6 | 48.6° | 60.0° |
C8 | N7 | C6 | H6A | 73.1° | 59.9° |
O9 | C9 | C8 | H8 | 48.2° | 175.0° |
O9 | C9 | H9 | H9A | 122.3° | 119.9° |
N7 | C6 | C5 | H6 | 120.0° | 120.0° |
N7 | C6 | C5 | H6A | 118.3° | 120.0° |
N7 | C6 | C5 | N1 | 174.9° | 56.4° |
N7 | C6 | C5 | C4 | 74.4° | 172.5° |
C6 | N7 | C8 | H8 | 67.2° | 35.0° |
N7 | C6 | H6 | H6A | 118.4° | 120.0° |
N7 | C6 | C5 | H5 | 48.1° | 65.5° |
C6 | C5 | N1 | C4 | 120.0° | 119.0° |
C6 | C5 | N1 | H5 | 118.7° | 121.9° |
C6 | C5 | C4 | H5 | 119.4° | 122.0° |
C6 | C5 | N1 | C2 | 131.3° | 102.0° |
C6 | C5 | C4 | C3 | 130.3° | 93.6° |
C6 | C5 | C4 | O4 | 106.4° | 148.3° |
C5 | C6 | N7 | HN7 | 71.5° | 56.1° |
C5 | C6 | H6 | H6A | 118.4° | 120.0° |
C6 | C5 | N1 | HN1 | 48.6° | 78.0° |
C6 | C5 | C4 | H4 | 11.0° | 24.5° |
N1 | C5 | C4 | H5 | 126.3° | 119.0° |
C5 | N1 | C2 | HN1 | 180.0° | 180.0° |
C5 | N1 | C2 | O2 | 176.7° | 179.5° |
C5 | N1 | C2 | C3 | 1.9° | 0.4° |
N1 | C5 | C4 | C3 | 16.0° | 25.4° |
N1 | C5 | C4 | O4 | 139.3° | 92.7° |
N1 | C5 | C6 | H6 | 54.9° | 63.6° |
N1 | C5 | C6 | H6A | 66.9° | 176.5° |
N1 | C5 | C4 | H4 | 103.3° | 143.5° |
C4 | C5 | N1 | C2 | 11.3° | 17.0° |
C5 | C4 | C3 | C2 | 15.5° | 24.8° |
C5 | C4 | C3 | O3 | 98.9° | 143.5° |
C5 | C4 | C3 | O4 | 121.9° | 118.1° |
C5 | C4 | C3 | H4 | 120.8° | 118.1° |
C5 | C4 | O4 | H4 | 120.7° | 123.8° |
C4 | C5 | C6 | H6 | 165.6° | 52.5° |
C4 | C5 | C6 | H6A | 43.9° | 67.5° |
C4 | C5 | N1 | HN1 | 168.7° | 163.0° |
C5 | C4 | C3 | H3 | 140.1° | 93.9° |
C5 | C4 | O4 | HO4 | 68.8° | 180.0° |
N1 | C2 | O2 | C3 | 178.4° | 179.9° |
N1 | C2 | C3 | O3 | 108.9° | 135.0° |
N1 | C2 | C3 | C4 | 8.8° | 16.2° |
C2 | N1 | C5 | H5 | 110.0° | 136.1° |
N1 | C2 | C3 | H3 | 130.5° | 102.6° |
O2 | C2 | C3 | O3 | 69.8° | 45.1° |
O2 | C2 | C3 | C4 | 172.5° | 163.8° |
O2 | C2 | N1 | HN1 | 3.3° | 0.5° |
O2 | C2 | C3 | H3 | 50.8° | 77.4° |
C2 | C3 | O3 | C4 | 112.8° | 114.8° |
C2 | C3 | O3 | H3 | 124.8° | 122.5° |
C2 | C3 | C4 | H3 | 124.6° | 118.7° |
C2 | C3 | C4 | O4 | 137.4° | 93.3° |
C3 | C2 | N1 | HN1 | 178.1° | 179.6° |
C2 | C3 | O3 | HO3 | 6.0° | 61.4° |
C2 | C3 | C4 | H4 | 105.3° | 142.9° |
O3 | C3 | C4 | H3 | 121.0° | 122.6° |
O3 | C3 | C4 | O4 | 23.0° | 25.3° |
O3 | C3 | C4 | H4 | 140.3° | 98.4° |
C3 | C4 | O4 | H4 | 119.1° | 123.8° |
C3 | C4 | C5 | H5 | 110.3° | 144.4° |
C4 | C3 | O3 | HO3 | 118.8° | 176.2° |
C3 | C4 | O4 | HO4 | 51.4° | 67.6° |
O4 | C4 | C5 | H5 | 13.0° | 26.3° |
O4 | C4 | C3 | H3 | 98.0° | 147.9° |
H15 | C15 | C14 | H14 | 1.1° | 0.3° |
H14 | C14 | C13 | H13 | 1.2° | 0.0° |
H13 | C13 | C12 | H12 | 0.2° | 0.1° |
H12 | C12 | C11 | H11 | 0.7° | 0.0° |
H8 | C8 | C9 | H9 | 168.2° | 55.0° |
H8 | C8 | C9 | H9A | 73.8° | 65.0° |
H8 | C8 | N7 | HN7 | 172.8° | 89.0° |
H9 | C9 | O9 | HO9 | 110.7° | 59.9° |
H9A | C9 | O9 | HO9 | 131.3° | 60.0° |
HN7 | N7 | C6 | H6 | 168.5° | 176.1° |
HN7 | N7 | C6 | H6A | 46.8° | 64.0° |
H6 | C6 | C5 | H5 | 71.9° | 174.5° |
H6A | C6 | C5 | H5 | 166.4° | 54.6° |
H5 | C5 | N1 | HN1 | 70.0° | 43.9° |
H5 | C5 | C4 | H4 | 130.4° | 97.5° |
H3 | C3 | O3 | HO3 | 118.8° | 61.1° |
H3 | C3 | C4 | H4 | 19.3° | 24.2° |
H4 | C4 | O4 | HO4 | 170.5° | 56.2° |