G60
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C3 | sing | 1.51Å | 1.53Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
CL | C9 | sing | 1.74Å | 1.79Å | |
N6 | C5 | sing | 1.47Å | 1.45Å | |
C8 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
C3 | C7 | sing | 1.47Å | 1.41Å | Aromatic |
C3 | C2 | doub | 1.34Å | 1.39Å | Aromatic |
C7 | C13 | sing | 1.41Å | 1.37Å | Aromatic |
C9 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C1 | sing | 1.51Å | 1.53Å | |
C2 | N14 | sing | 1.37Å | 1.33Å | Aromatic |
C13 | N14 | sing | 1.38Å | 1.37Å | Aromatic |
C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C8 | H81 | sing | 1.08Å | 1.08Å | |
C11 | H111 | sing | 1.08Å | 1.08Å | |
C12 | H121 | sing | 1.08Å | 1.08Å | |
N6 | H61 | sing | 1.01Å | 1.00Å | |
N6 | H62 | sing | 1.01Å | 1.00Å | |
N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C4 | C5 | 111.6° | 109.5° |
C4 | C3 | C7 | 125.9° | 126.5° |
C4 | C3 | C2 | 126.4° | 126.5° |
C3 | C4 | H41 | 108.9° | 109.4° |
C3 | C4 | H42 | 108.9° | 109.5° |
C4 | C5 | N6 | 109.7° | 109.5° |
C5 | C4 | H41 | 108.9° | 109.5° |
C5 | C4 | H42 | 109.0° | 109.5° |
C4 | C5 | H51 | 109.4° | 109.5° |
C4 | C5 | H52 | 109.4° | 109.5° |
CL | C9 | C8 | 120.8° | 119.8° |
CL | C9 | C11 | 119.3° | 119.8° |
N6 | C5 | H51 | 109.4° | 109.5° |
N6 | C5 | H52 | 109.4° | 109.4° |
C5 | N6 | H61 | 109.5° | 111.0° |
C5 | N6 | H62 | 109.4° | 111.0° |
C7 | C8 | C9 | 119.8° | 119.6° |
C8 | C7 | C3 | 134.3° | 134.0° |
C8 | C7 | C13 | 119.8° | 120.0° |
C7 | C8 | H81 | 120.1° | 120.2° |
C8 | C9 | C11 | 119.9° | 120.4° |
C9 | C8 | H81 | 120.1° | 120.2° |
C7 | C3 | C2 | 107.7° | 107.0° |
C3 | C7 | C13 | 105.9° | 106.1° |
C3 | C2 | C1 | 127.5° | 125.0° |
C3 | C2 | N14 | 107.6° | 109.9° |
C7 | C13 | N14 | 108.7° | 107.1° |
C7 | C13 | C12 | 120.6° | 119.4° |
C9 | C11 | C12 | 120.4° | 120.6° |
C9 | C11 | H111 | 119.8° | 119.7° |
C1 | C2 | N14 | 124.9° | 125.0° |
C2 | C1 | H11 | 109.5° | 109.5° |
C2 | C1 | H13 | 109.5° | 109.5° |
C2 | C1 | H12 | 109.5° | 109.5° |
C2 | N14 | C13 | 110.0° | 109.9° |
C2 | N14 | H141 | 125.0° | 125.1° |
N14 | C13 | C12 | 130.7° | 133.4° |
C13 | N14 | H141 | 125.0° | 125.0° |
C13 | C12 | C11 | 119.6° | 120.0° |
C13 | C12 | H121 | 120.2° | 120.0° |
C12 | C11 | H111 | 119.8° | 119.7° |
C11 | C12 | H121 | 120.2° | 120.0° |
H11 | C1 | H13 | 109.5° | 109.4° |
H11 | C1 | H12 | 109.5° | 109.5° |
H13 | C1 | H12 | 109.5° | 109.5° |
H41 | C4 | H42 | 109.5° | 109.5° |
H51 | C5 | H52 | 109.5° | 109.5° |
H61 | N6 | H62 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C4 | C5 | H41 | 120.3° | 119.9° |
C3 | C4 | C5 | H42 | 120.3° | 120.0° |
C3 | C4 | C5 | N6 | 144.6° | 180.0° |
C4 | C3 | C7 | C8 | 0.1° | 0.0° |
C4 | C3 | C7 | C2 | 180.0° | 179.7° |
C4 | C3 | C7 | C13 | 179.9° | 180.0° |
C4 | C3 | C2 | C1 | 0.0° | 0.4° |
C4 | C3 | C2 | N14 | 179.8° | 179.9° |
C3 | C4 | H41 | H42 | 119.0° | 120.0° |
C3 | C4 | C5 | H51 | 95.4° | 60.0° |
C3 | C4 | C5 | H52 | 24.6° | 60.0° |
C4 | C5 | N6 | H51 | 120.0° | 120.0° |
C4 | C5 | N6 | H52 | 120.1° | 120.0° |
C5 | C4 | C3 | C7 | 130.2° | 90.0° |
C5 | C4 | C3 | C2 | 49.7° | 89.7° |
C5 | C4 | H41 | H42 | 119.1° | 120.0° |
C4 | C5 | H51 | H52 | 119.9° | 120.0° |
C4 | C5 | N6 | H61 | 180.0° | 180.0° |
C4 | C5 | N6 | H62 | 60.0° | 56.0° |
CL | C9 | C8 | C7 | 180.0° | 180.0° |
CL | C9 | C8 | C11 | 179.9° | 180.0° |
CL | C9 | C11 | C12 | 180.0° | 179.7° |
CL | C9 | C8 | H81 | 0.0° | 0.0° |
CL | C9 | C11 | H111 | 0.0° | 0.0° |
N6 | C5 | C4 | H41 | 24.3° | 60.0° |
N6 | C5 | C4 | H42 | 95.1° | 60.0° |
N6 | C5 | H51 | H52 | 119.9° | 120.0° |
C5 | N6 | H61 | H62 | 120.0° | 123.9° |
C7 | C8 | C9 | H81 | 180.0° | 180.0° |
C8 | C7 | C3 | C13 | 180.0° | 180.0° |
C8 | C7 | C3 | C2 | 179.9° | 179.7° |
C7 | C8 | C9 | C11 | 0.1° | 0.0° |
C8 | C7 | C13 | N14 | 180.0° | 180.0° |
C8 | C7 | C13 | C12 | 0.0° | 0.3° |
C9 | C8 | C7 | C3 | 180.0° | 180.0° |
C9 | C8 | C7 | C13 | 0.1° | 0.0° |
C8 | C9 | C11 | C12 | 0.1° | 0.3° |
C8 | C9 | C11 | H111 | 179.9° | 180.0° |
C7 | C3 | C2 | C1 | 180.0° | 179.9° |
C7 | C3 | C2 | N14 | 0.1° | 0.4° |
C3 | C7 | C13 | N14 | 0.0° | 0.0° |
C3 | C7 | C13 | C12 | 180.0° | 179.8° |
C7 | C3 | C4 | H41 | 109.5° | 150.0° |
C7 | C3 | C4 | H42 | 9.9° | 30.0° |
C3 | C7 | C8 | H81 | 0.1° | 0.0° |
C2 | C3 | C7 | C13 | 0.1° | 0.3° |
C3 | C2 | C1 | N14 | 179.8° | 179.4° |
C3 | C2 | N14 | C13 | 0.2° | 0.5° |
C3 | C2 | C1 | H11 | 89.9° | 89.4° |
C3 | C2 | C1 | H13 | 150.1° | 30.5° |
C3 | C2 | C1 | H12 | 30.1° | 150.5° |
C2 | C3 | C4 | H41 | 70.6° | 30.4° |
C2 | C3 | C4 | H42 | 170.1° | 150.3° |
C3 | C2 | N14 | H141 | 179.8° | 179.6° |
C7 | C13 | N14 | C2 | 0.1° | 0.3° |
C7 | C13 | N14 | C12 | 179.9° | 179.7° |
C7 | C13 | C12 | C11 | 0.0° | 0.5° |
C13 | C7 | C8 | H81 | 179.9° | 180.0° |
C7 | C13 | C12 | H121 | 180.0° | 179.7° |
C7 | C13 | N14 | H141 | 179.9° | 179.8° |
C9 | C11 | C12 | C13 | 0.1° | 0.5° |
C9 | C11 | C12 | H111 | 180.0° | 179.7° |
C11 | C9 | C8 | H81 | 179.9° | 180.0° |
C9 | C11 | C12 | H121 | 180.0° | 179.7° |
C1 | C2 | N14 | C13 | 180.0° | 180.0° |
C2 | C1 | H11 | H13 | 120.0° | 120.0° |
C2 | C1 | H11 | H12 | 120.0° | 120.0° |
C2 | C1 | H13 | H12 | 120.0° | 120.0° |
C1 | C2 | N14 | H141 | 0.0° | 0.1° |
C2 | N14 | C13 | H141 | 180.0° | 179.9° |
C2 | N14 | C13 | C12 | 179.9° | 180.0° |
N14 | C2 | C1 | H11 | 89.9° | 90.0° |
N14 | C2 | C1 | H13 | 30.1° | 150.1° |
N14 | C2 | C1 | H12 | 150.1° | 30.1° |
N14 | C13 | C12 | C11 | 180.0° | 179.8° |
N14 | C13 | C12 | H121 | 0.1° | 0.0° |
C13 | C12 | C11 | H121 | 180.0° | 179.7° |
C13 | C12 | C11 | H111 | 179.9° | 179.7° |
C12 | C13 | N14 | H141 | 0.1° | 0.1° |
H11 | C1 | H13 | H12 | 120.0° | 120.0° |
H41 | C4 | C5 | H51 | 144.3° | 180.0° |
H41 | C4 | C5 | H52 | 95.7° | 59.9° |
H42 | C4 | C5 | H51 | 24.9° | 60.0° |
H42 | C4 | C5 | H52 | 144.9° | 180.0° |
H51 | C5 | N6 | H61 | 60.0° | 60.0° |
H51 | C5 | N6 | H62 | 180.0° | 176.0° |
H52 | C5 | N6 | H61 | 59.9° | 60.0° |
H52 | C5 | N6 | H62 | 60.1° | 63.9° |
H111 | C11 | C12 | H121 | 0.0° | 0.0° |