GE8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | C08 | sing | 1.53Å | 1.52Å | |
N05 | C04 | sing | 1.46Å | 1.44Å | |
N05 | C06 | sing | 1.35Å | 1.33Å | |
C04 | C03 | sing | 1.53Å | 1.51Å | |
O11 | C08 | sing | 1.43Å | 1.44Å | |
O11 | C12 | sing | 1.36Å | 1.38Å | |
C02 | C03 | sing | 1.53Å | 1.51Å | |
C02 | S01 | sing | 1.81Å | 1.79Å | |
C08 | C06 | sing | 1.51Å | 1.51Å | |
C08 | C10 | sing | 1.53Å | 1.52Å | |
C06 | O07 | doub | 1.21Å | 1.22Å | |
C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | CL | sing | 1.74Å | 1.79Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C14 | H2 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C18 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C02 | H8 | sing | 1.09Å | 1.10Å | |
C02 | H9 | sing | 1.09Å | 1.10Å | |
C03 | H10 | sing | 1.09Å | 1.10Å | |
C03 | H11 | sing | 1.09Å | 1.10Å | |
C04 | H12 | sing | 1.09Å | 1.10Å | |
C04 | H13 | sing | 1.09Å | 1.10Å | |
C09 | H14 | sing | 1.09Å | 1.10Å | |
C09 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
N05 | H17 | sing | 0.97Å | 1.00Å | |
S01 | H18 | sing | 1.34Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C09 | C08 | O11 | 107.0° | 109.4° |
C09 | C08 | C06 | 106.2° | 109.5° |
C09 | C08 | C10 | 110.0° | 109.5° |
C08 | C09 | H14 | 109.5° | 109.5° |
C08 | C09 | H15 | 109.5° | 109.5° |
C08 | C09 | H16 | 109.5° | 109.5° |
C04 | N05 | C06 | 120.5° | 120.1° |
N05 | C04 | C03 | 108.1° | 109.6° |
N05 | C04 | H12 | 109.8° | 109.5° |
N05 | C04 | H13 | 109.8° | 109.5° |
C04 | N05 | H17 | 119.7° | 120.0° |
N05 | C06 | C08 | 115.6° | 120.0° |
N05 | C06 | O07 | 123.6° | 120.0° |
C06 | N05 | H17 | 119.8° | 120.0° |
C04 | C03 | C02 | 109.4° | 109.5° |
C04 | C03 | H10 | 109.5° | 109.4° |
C04 | C03 | H11 | 109.5° | 109.4° |
C03 | C04 | H12 | 109.8° | 109.4° |
C03 | C04 | H13 | 109.8° | 109.5° |
C08 | O11 | C12 | 127.2° | 117.1° |
O11 | C08 | C06 | 112.1° | 109.5° |
O11 | C08 | C10 | 110.8° | 109.5° |
O11 | C12 | C13 | 118.5° | 120.0° |
O11 | C12 | C18 | 122.6° | 120.1° |
C03 | C02 | S01 | 102.7° | 109.5° |
C03 | C02 | H8 | 111.2° | 109.5° |
C03 | C02 | H9 | 111.1° | 109.5° |
C02 | C03 | H10 | 109.5° | 109.5° |
C02 | C03 | H11 | 109.5° | 109.5° |
S01 | C02 | H8 | 111.1° | 109.5° |
S01 | C02 | H9 | 111.2° | 109.5° |
C02 | S01 | H18 | 102.0° | 103.0° |
C06 | C08 | C10 | 110.5° | 109.5° |
C08 | C06 | O07 | 120.7° | 120.0° |
C08 | C10 | H5 | 109.5° | 109.5° |
C08 | C10 | H6 | 109.5° | 109.4° |
C08 | C10 | H7 | 109.5° | 109.4° |
C12 | C13 | C14 | 120.2° | 120.0° |
C13 | C12 | C18 | 118.9° | 119.9° |
C12 | C13 | H1 | 119.9° | 120.0° |
C13 | C14 | C15 | 119.9° | 120.0° |
C14 | C13 | H1 | 119.9° | 120.0° |
C13 | C14 | H2 | 120.1° | 120.0° |
C12 | C18 | C17 | 121.3° | 119.9° |
C12 | C18 | H4 | 119.4° | 120.0° |
C14 | C15 | C17 | 120.4° | 120.1° |
C14 | C15 | CL | 120.7° | 119.9° |
C15 | C14 | H2 | 120.1° | 120.0° |
C18 | C17 | C15 | 119.3° | 120.1° |
C18 | C17 | H3 | 120.3° | 119.9° |
C17 | C18 | H4 | 119.4° | 120.1° |
C17 | C15 | CL | 118.9° | 120.0° |
C15 | C17 | H3 | 120.3° | 120.0° |
H5 | C10 | H6 | 109.4° | 109.5° |
H5 | C10 | H7 | 109.5° | 109.5° |
H6 | C10 | H7 | 109.4° | 109.5° |
H8 | C02 | H9 | 109.5° | 109.5° |
H10 | C03 | H11 | 109.5° | 109.5° |
H12 | C04 | H13 | 109.5° | 109.4° |
H14 | C09 | H15 | 109.5° | 109.4° |
H14 | C09 | H16 | 109.5° | 109.5° |
H15 | C09 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C09 | C08 | C06 | N05 | 70.0° | 60.0° |
C09 | C08 | O11 | C06 | 116.1° | 120.0° |
C09 | C08 | O11 | C10 | 119.9° | 120.0° |
C09 | C08 | O11 | C12 | 176.3° | 59.7° |
C09 | C08 | C06 | C10 | 119.3° | 120.0° |
C09 | C08 | C06 | O07 | 109.3° | 120.0° |
C09 | C08 | C10 | H5 | 180.0° | 179.9° |
C09 | C08 | C10 | H6 | 60.0° | 59.9° |
C09 | C08 | C10 | H7 | 60.0° | 60.0° |
C08 | C09 | H14 | H15 | 120.0° | 120.0° |
C08 | C09 | H14 | H16 | 120.0° | 120.0° |
C08 | C09 | H15 | H16 | 120.0° | 120.1° |
C04 | N05 | C06 | H17 | 180.0° | 179.9° |
N05 | C04 | C03 | H12 | 119.8° | 120.0° |
N05 | C04 | C03 | H13 | 119.8° | 120.1° |
N05 | C04 | C03 | C02 | 120.5° | 180.0° |
C04 | N05 | C06 | C08 | 163.6° | 180.0° |
C04 | N05 | C06 | O07 | 17.1° | 0.0° |
N05 | C04 | C03 | H10 | 0.5° | 60.0° |
N05 | C04 | C03 | H11 | 119.5° | 60.0° |
N05 | C04 | H12 | H13 | 120.6° | 120.0° |
C06 | N05 | C04 | C03 | 65.1° | 180.0° |
N05 | C06 | C08 | O11 | 46.5° | 179.9° |
N05 | C06 | C08 | O07 | 179.3° | 180.0° |
N05 | C06 | C08 | C10 | 170.7° | 60.0° |
C06 | N05 | C04 | H12 | 54.7° | 60.0° |
C06 | N05 | C04 | H13 | 175.1° | 60.0° |
C04 | C03 | C02 | H10 | 120.0° | 120.0° |
C04 | C03 | C02 | H11 | 120.0° | 120.0° |
C04 | C03 | C02 | S01 | 112.3° | 180.0° |
C04 | C03 | C02 | H8 | 6.6° | 60.0° |
C04 | C03 | C02 | H9 | 128.7° | 60.0° |
C04 | C03 | H10 | H11 | 120.0° | 119.9° |
C03 | C04 | H12 | H13 | 120.7° | 120.0° |
C03 | C04 | N05 | H17 | 114.9° | 0.0° |
O11 | C08 | C06 | C10 | 124.2° | 120.0° |
O11 | C08 | C06 | O07 | 134.2° | 0.0° |
C08 | O11 | C12 | C13 | 167.3° | 5.0° |
C08 | O11 | C12 | C18 | 13.8° | 174.8° |
O11 | C08 | C10 | H5 | 61.9° | 60.0° |
O11 | C08 | C10 | H6 | 58.1° | 60.0° |
O11 | C08 | C10 | H7 | 178.1° | 180.0° |
O11 | C08 | C09 | H14 | 180.0° | 172.4° |
O11 | C08 | C09 | H15 | 60.0° | 67.7° |
O11 | C08 | C09 | H16 | 60.0° | 52.4° |
C12 | O11 | C08 | C06 | 60.2° | 60.3° |
C12 | O11 | C08 | C10 | 63.8° | 179.7° |
O11 | C12 | C13 | C18 | 178.9° | 179.7° |
O11 | C12 | C13 | C14 | 179.3° | 179.8° |
O11 | C12 | C18 | C17 | 179.1° | 179.8° |
O11 | C12 | C13 | H1 | 0.7° | 0.3° |
O11 | C12 | C18 | H4 | 0.9° | 0.2° |
C03 | C02 | S01 | H8 | 118.9° | 120.0° |
C03 | C02 | S01 | H9 | 118.9° | 120.0° |
C03 | C02 | H8 | H9 | 123.1° | 120.0° |
C02 | C03 | H10 | H11 | 120.1° | 120.0° |
C02 | C03 | C04 | H12 | 119.7° | 60.0° |
C02 | C03 | C04 | H13 | 0.8° | 59.9° |
C03 | C02 | S01 | H18 | 180.0° | 180.0° |
S01 | C02 | H8 | H9 | 123.2° | 120.0° |
S01 | C02 | C03 | H10 | 127.7° | 60.0° |
S01 | C02 | C03 | H11 | 7.6° | 60.0° |
C06 | C08 | C10 | H5 | 63.1° | 60.0° |
C06 | C08 | C10 | H6 | 177.0° | 180.0° |
C06 | C08 | C10 | H7 | 57.0° | 60.0° |
C06 | C08 | C09 | H14 | 60.0° | 52.4° |
C06 | C08 | C09 | H15 | 180.0° | 172.4° |
C06 | C08 | C09 | H16 | 60.0° | 67.6° |
C08 | C06 | N05 | H17 | 16.4° | 0.1° |
C10 | C08 | C06 | O07 | 10.0° | 120.0° |
C08 | C10 | H5 | H6 | 120.0° | 119.9° |
C08 | C10 | H5 | H7 | 120.0° | 120.0° |
C08 | C10 | H6 | H7 | 120.0° | 119.9° |
C10 | C08 | C09 | H14 | 59.5° | 67.6° |
C10 | C08 | C09 | H15 | 60.5° | 52.4° |
C10 | C08 | C09 | H16 | 179.5° | 172.4° |
O07 | C06 | N05 | H17 | 162.9° | 180.0° |
C12 | C13 | C14 | H1 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 0.3° | 0.1° |
C13 | C12 | C18 | C17 | 0.2° | 0.0° |
C12 | C13 | C14 | H2 | 179.7° | 180.0° |
C13 | C12 | C18 | H4 | 179.8° | 179.9° |
C14 | C13 | C12 | C18 | 0.4° | 0.0° |
C13 | C14 | C15 | H2 | 180.0° | 179.9° |
C13 | C14 | C15 | C17 | 0.0° | 0.1° |
C13 | C14 | C15 | CL | 179.8° | 180.0° |
C12 | C18 | C17 | H4 | 180.0° | 180.0° |
C12 | C18 | C17 | C15 | 0.0° | 0.1° |
C18 | C12 | C13 | H1 | 179.6° | 179.9° |
C12 | C18 | C17 | H3 | 180.0° | 180.0° |
C14 | C15 | C17 | C18 | 0.1° | 0.1° |
C14 | C15 | C17 | CL | 179.8° | 179.9° |
C15 | C14 | C13 | H1 | 179.7° | 179.9° |
C14 | C15 | C17 | H3 | 179.9° | 179.9° |
C18 | C17 | C15 | H3 | 180.0° | 180.0° |
C18 | C17 | C15 | CL | 180.0° | 180.0° |
C17 | C15 | C14 | H2 | 180.0° | 180.0° |
C15 | C17 | C18 | H4 | 180.0° | 179.9° |
CL | C15 | C14 | H2 | 0.2° | 0.0° |
CL | C15 | C17 | H3 | 0.0° | 0.0° |
H1 | C13 | C14 | H2 | 0.3° | 0.1° |
H3 | C17 | C18 | H4 | 0.0° | 0.1° |
H5 | C10 | H6 | H7 | 120.0° | 120.1° |
H8 | C02 | C03 | H10 | 113.4° | 60.0° |
H8 | C02 | C03 | H11 | 126.5° | 180.0° |
H8 | C02 | S01 | H18 | 61.1° | 60.0° |
H9 | C02 | C03 | H10 | 8.8° | 180.0° |
H9 | C02 | C03 | H11 | 111.3° | 60.0° |
H9 | C02 | S01 | H18 | 61.1° | 60.0° |
H10 | C03 | C04 | H12 | 120.3° | 180.0° |
H10 | C03 | C04 | H13 | 119.2° | 60.1° |
H11 | C03 | C04 | H12 | 0.3° | 60.0° |
H11 | C03 | C04 | H13 | 120.7° | 180.0° |
H12 | C04 | N05 | H17 | 125.4° | 120.0° |
H13 | C04 | N05 | H17 | 4.9° | 120.1° |
H14 | C09 | H15 | H16 | 120.0° | 120.0° |