G7A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F56 | C13 | sing | 1.40Å | 1.32Å | |
F57 | C13 | sing | 1.40Å | 1.33Å | |
C13 | C3 | sing | 1.53Å | 1.53Å | |
C13 | F58 | sing | 1.40Å | 1.32Å | |
C3 | C2 | sing | 1.54Å | 1.53Å | |
C3 | N4 | sing | 1.47Å | 1.47Å | |
C2 | C1 | sing | 1.53Å | 1.54Å | |
C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
C1 | C7 | sing | 1.51Å | 1.49Å | |
C1 | N6 | sing | 1.47Å | 1.47Å | |
C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
N4 | N19 | sing | 1.39Å | 1.40Å | Aromatic |
N4 | C5 | sing | 1.35Å | 1.31Å | Aromatic |
N19 | C18 | doub | 1.30Å | 1.36Å | Aromatic |
C7 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C32 | sing | 1.51Å | 1.51Å | |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | N6 | sing | 1.38Å | 1.37Å | |
C5 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
C32 | C33 | sing | 1.53Å | 1.51Å | |
C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | C17 | sing | 1.42Å | 1.40Å | Aromatic |
C17 | C20 | sing | 1.47Å | 1.49Å | |
C20 | O21 | doub | 1.22Å | 1.24Å | |
C20 | O22 | sing | 1.35Å | 1.25Å | |
O22 | H2 | sing | 0.97Å | 0.95Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
N6 | H4 | sing | 1.01Å | 1.00Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C32 | H322 | sing | 1.09Å | 1.10Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C33 | H333 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F56 | C13 | F57 | 108.4° | 109.5° |
F56 | C13 | C3 | 108.5° | 109.4° |
F56 | C13 | F58 | 109.0° | 109.4° |
F57 | C13 | C3 | 111.3° | 109.5° |
F57 | C13 | F58 | 109.7° | 109.5° |
C3 | C13 | F58 | 109.8° | 109.5° |
C13 | C3 | C2 | 113.4° | 109.8° |
C13 | C3 | N4 | 113.5° | 109.8° |
C13 | C3 | H3 | 108.1° | 109.9° |
C2 | C3 | N4 | 104.8° | 107.8° |
C3 | C2 | C1 | 113.7° | 108.8° |
C2 | C3 | H3 | 108.0° | 109.8° |
C3 | C2 | H22 | 108.4° | 109.6° |
C3 | C2 | H21 | 108.4° | 109.6° |
C3 | N4 | N19 | 120.7° | 127.4° |
C3 | N4 | C5 | 129.9° | 124.0° |
N4 | C3 | H3 | 108.8° | 109.8° |
C2 | C1 | C7 | 110.0° | 109.5° |
C2 | C1 | N6 | 109.4° | 109.7° |
C2 | C1 | H1 | 108.4° | 109.3° |
C1 | C2 | H22 | 108.4° | 109.6° |
C1 | C2 | H21 | 108.4° | 109.5° |
C9 | C8 | C7 | 121.1° | 120.0° |
C8 | C9 | C10 | 120.8° | 120.0° |
C8 | C9 | H9 | 119.6° | 120.0° |
C9 | C8 | H8 | 119.5° | 120.0° |
C8 | C7 | C1 | 120.3° | 120.0° |
C8 | C7 | C12 | 118.1° | 120.0° |
C7 | C8 | H8 | 119.5° | 120.0° |
C7 | C1 | N6 | 110.6° | 109.4° |
C1 | C7 | C12 | 121.7° | 120.0° |
C7 | C1 | H1 | 109.1° | 109.5° |
C1 | N6 | C5 | 118.7° | 110.8° |
C1 | N6 | H4 | 107.1° | 111.1° |
N6 | C1 | H1 | 109.3° | 109.5° |
C9 | C10 | C32 | 120.7° | 120.0° |
C9 | C10 | C11 | 118.7° | 120.0° |
C10 | C9 | H9 | 119.6° | 120.0° |
N19 | N4 | C5 | 109.3° | 108.6° |
N4 | N19 | C18 | 105.9° | 109.2° |
N4 | C5 | N6 | 120.3° | 125.3° |
N4 | C5 | C17 | 110.4° | 107.1° |
N19 | C18 | C17 | 109.4° | 108.2° |
N19 | C18 | H18 | 125.3° | 125.9° |
C7 | C12 | C11 | 120.8° | 120.0° |
C7 | C12 | H12 | 119.6° | 120.0° |
C32 | C10 | C11 | 120.6° | 120.0° |
C10 | C32 | C33 | 110.7° | 109.4° |
C10 | C32 | H321 | 109.2° | 109.5° |
C10 | C32 | H322 | 109.2° | 109.5° |
C10 | C11 | C12 | 120.5° | 120.0° |
C10 | C11 | H11 | 119.8° | 120.0° |
N6 | C5 | C17 | 129.3° | 127.6° |
C5 | N6 | H4 | 107.1° | 111.0° |
C5 | C17 | C18 | 105.0° | 106.9° |
C5 | C17 | C20 | 124.8° | 126.6° |
C33 | C32 | H321 | 109.1° | 109.5° |
C33 | C32 | H322 | 109.1° | 109.4° |
C32 | C33 | H331 | 109.5° | 109.5° |
C32 | C33 | H333 | 109.5° | 109.5° |
C32 | C33 | H332 | 109.5° | 109.4° |
C11 | C12 | H12 | 119.6° | 120.0° |
C12 | C11 | H11 | 119.7° | 120.0° |
C18 | C17 | C20 | 130.2° | 126.5° |
C17 | C18 | H18 | 125.3° | 125.9° |
C17 | C20 | O21 | 120.3° | 119.9° |
C17 | C20 | O22 | 118.3° | 120.0° |
O21 | C20 | O22 | 121.4° | 120.1° |
C20 | O22 | H2 | 109.5° | 117.0° |
H22 | C2 | H21 | 109.5° | 109.7° |
H321 | C32 | H322 | 109.5° | 109.5° |
H331 | C33 | H333 | 109.5° | 109.5° |
H331 | C33 | H332 | 109.5° | 109.5° |
H333 | C33 | H332 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F56 | C13 | F57 | C3 | 119.3° | 120.0° |
F56 | C13 | F57 | F58 | 119.0° | 120.0° |
F56 | C13 | C3 | F58 | 119.1° | 120.0° |
F56 | C13 | C3 | C2 | 57.6° | 60.0° |
F56 | C13 | C3 | N4 | 177.1° | 178.3° |
F56 | C13 | C3 | H3 | 62.1° | 60.9° |
F57 | C13 | C3 | F58 | 121.7° | 120.0° |
F57 | C13 | C3 | C2 | 176.8° | 180.0° |
F57 | C13 | C3 | N4 | 63.7° | 61.7° |
F57 | C13 | C3 | H3 | 57.1° | 59.1° |
C13 | C3 | C2 | N4 | 124.4° | 119.6° |
C13 | C3 | C2 | H3 | 119.8° | 120.9° |
C13 | C3 | N4 | H3 | 120.4° | 120.8° |
C13 | C3 | C2 | C1 | 169.7° | 166.0° |
C13 | C3 | N4 | N19 | 38.3° | 45.3° |
C13 | C3 | N4 | C5 | 144.9° | 135.0° |
C13 | C3 | C2 | H22 | 49.0° | 46.2° |
C13 | C3 | C2 | H21 | 69.7° | 74.3° |
F58 | C13 | C3 | C2 | 61.5° | 60.0° |
F58 | C13 | C3 | N4 | 58.0° | 58.4° |
F58 | C13 | C3 | H3 | 178.8° | 179.1° |
C2 | C3 | N4 | H3 | 115.3° | 119.6° |
C3 | C2 | C1 | H22 | 120.6° | 119.8° |
C3 | C2 | C1 | H21 | 120.6° | 119.8° |
C3 | C2 | C1 | C7 | 177.0° | 172.7° |
C3 | C2 | C1 | N6 | 55.4° | 67.2° |
C2 | C3 | N4 | N19 | 162.6° | 164.8° |
C2 | C3 | N4 | C5 | 20.6° | 15.5° |
C3 | C2 | C1 | H1 | 63.7° | 52.8° |
C3 | C2 | H22 | H21 | 118.1° | 120.4° |
N4 | C3 | C2 | C1 | 45.3° | 46.4° |
C3 | N4 | N19 | C5 | 177.4° | 179.7° |
C3 | N4 | N19 | C18 | 178.3° | 180.0° |
C3 | N4 | C5 | N6 | 3.4° | 0.3° |
C3 | N4 | C5 | C17 | 178.4° | 179.9° |
N4 | C3 | C2 | H22 | 75.3° | 73.4° |
N4 | C3 | C2 | H21 | 165.9° | 166.2° |
C2 | C1 | C7 | C8 | 103.7° | 80.6° |
C2 | C1 | C7 | N6 | 120.9° | 120.3° |
C2 | C1 | C7 | H1 | 118.8° | 119.8° |
C2 | C1 | N6 | H1 | 118.5° | 119.9° |
C2 | C1 | C7 | C12 | 76.4° | 99.7° |
C2 | C1 | N6 | C5 | 36.6° | 50.5° |
C1 | C2 | C3 | H3 | 70.6° | 73.1° |
C2 | C1 | N6 | H4 | 84.7° | 73.3° |
C1 | C2 | H22 | H21 | 118.1° | 120.3° |
C9 | C8 | C7 | H8 | 180.0° | 179.4° |
C9 | C8 | C7 | C1 | 179.6° | 179.8° |
C8 | C9 | C10 | H9 | 180.0° | 179.7° |
C9 | C8 | C7 | C12 | 0.3° | 0.5° |
C8 | C9 | C10 | C32 | 180.0° | 179.8° |
C8 | C9 | C10 | C11 | 0.4° | 0.3° |
C8 | C7 | C1 | C12 | 179.9° | 179.7° |
C8 | C7 | C1 | N6 | 135.4° | 39.7° |
C7 | C8 | C9 | C10 | 0.5° | 0.5° |
C8 | C7 | C12 | C11 | 0.2° | 0.3° |
C8 | C7 | C1 | H1 | 15.1° | 159.7° |
C8 | C7 | C12 | H12 | 179.8° | 179.7° |
C7 | C8 | C9 | H9 | 179.6° | 179.7° |
C7 | C1 | N6 | H1 | 120.2° | 120.0° |
C7 | C1 | N6 | C5 | 157.9° | 170.6° |
C1 | C7 | C12 | C11 | 179.8° | 180.0° |
C7 | C1 | N6 | H4 | 36.6° | 46.8° |
C7 | C1 | C2 | H22 | 56.4° | 67.5° |
C7 | C1 | C2 | H21 | 62.3° | 52.9° |
C1 | C7 | C12 | H12 | 0.3° | 0.1° |
C1 | C7 | C8 | H8 | 0.4° | 0.3° |
C1 | N6 | C5 | N4 | 11.7° | 18.1° |
N6 | C1 | C7 | C12 | 44.6° | 140.0° |
C1 | N6 | C5 | H4 | 121.3° | 123.8° |
C1 | N6 | C5 | C17 | 170.5° | 162.4° |
N6 | C1 | C2 | H22 | 65.2° | 52.6° |
N6 | C1 | C2 | H21 | 176.0° | 173.0° |
C9 | C10 | C32 | C11 | 179.6° | 179.9° |
C9 | C10 | C32 | C33 | 121.7° | 90.0° |
C9 | C10 | C11 | C12 | 0.3° | 0.0° |
C9 | C10 | C11 | H11 | 179.7° | 180.0° |
C9 | C10 | C32 | H321 | 118.1° | 30.0° |
C9 | C10 | C32 | H322 | 1.5° | 150.0° |
C10 | C9 | C8 | H8 | 179.6° | 180.0° |
N19 | N4 | C5 | N6 | 179.5° | 180.0° |
N19 | N4 | C5 | C17 | 1.3° | 0.4° |
N4 | N19 | C18 | C17 | 0.1° | 0.0° |
N4 | N19 | C18 | H18 | 179.8° | 180.0° |
N19 | N4 | C3 | H3 | 82.1° | 75.6° |
C5 | N4 | N19 | C18 | 0.9° | 0.2° |
N4 | C5 | N6 | C17 | 177.9° | 179.5° |
N4 | C5 | C17 | C18 | 1.2° | 0.4° |
N4 | C5 | C17 | C20 | 179.6° | 179.9° |
C5 | N4 | C3 | H3 | 94.7° | 104.1° |
N4 | C5 | N6 | H4 | 109.7° | 105.7° |
N19 | C18 | C17 | C5 | 0.6° | 0.2° |
N19 | C18 | C17 | H18 | 180.0° | 180.0° |
N19 | C18 | C17 | C20 | 178.9° | 180.0° |
C7 | C12 | C11 | C10 | 0.2° | 0.0° |
C7 | C12 | C11 | H12 | 180.0° | 179.9° |
C12 | C7 | C1 | H1 | 164.8° | 20.1° |
C7 | C12 | C11 | H11 | 179.8° | 180.0° |
C12 | C7 | C8 | H8 | 179.7° | 180.0° |
C10 | C32 | C33 | H321 | 120.2° | 120.0° |
C10 | C32 | C33 | H322 | 120.2° | 120.0° |
C32 | C10 | C11 | C12 | 179.9° | 179.9° |
C32 | C10 | C11 | H11 | 0.1° | 0.1° |
C10 | C32 | H321 | H322 | 119.5° | 120.1° |
C10 | C32 | C33 | H331 | 180.0° | 180.0° |
C10 | C32 | C33 | H333 | 60.0° | 60.0° |
C10 | C32 | C33 | H332 | 60.0° | 60.0° |
C32 | C10 | C9 | H9 | 0.0° | 0.1° |
C11 | C10 | C32 | C33 | 57.9° | 90.0° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | H12 | 179.8° | 179.9° |
C11 | C10 | C32 | H321 | 62.3° | 149.9° |
C11 | C10 | C32 | H322 | 178.1° | 29.9° |
C11 | C10 | C9 | H9 | 179.6° | 180.0° |
N6 | C5 | C17 | C18 | 179.2° | 180.0° |
N6 | C5 | C17 | C20 | 2.4° | 0.3° |
C5 | N6 | C1 | H1 | 81.9° | 69.4° |
C5 | C17 | C18 | C20 | 178.3° | 179.8° |
C5 | C17 | C20 | O21 | 5.4° | 0.3° |
C5 | C17 | C20 | O22 | 172.5° | 179.5° |
C5 | C17 | C18 | H18 | 179.4° | 179.8° |
C17 | C5 | N6 | H4 | 68.2° | 73.8° |
C33 | C32 | H321 | H322 | 119.4° | 119.9° |
C32 | C33 | H331 | H333 | 120.0° | 120.0° |
C32 | C33 | H331 | H332 | 120.0° | 119.9° |
C32 | C33 | H333 | H332 | 120.0° | 120.0° |
C18 | C17 | C20 | O21 | 176.6° | 180.0° |
C18 | C17 | C20 | O22 | 5.5° | 0.3° |
C17 | C20 | O21 | O22 | 177.8° | 179.7° |
C17 | C20 | O22 | H2 | 177.9° | 179.7° |
C20 | C17 | C18 | H18 | 1.1° | 0.0° |
O21 | C20 | O22 | H2 | 0.0° | 0.0° |
H3 | C3 | C2 | H22 | 168.8° | 167.1° |
H3 | C3 | C2 | H21 | 50.0° | 46.6° |
H4 | N6 | C1 | H1 | 156.7° | 166.8° |
H1 | C1 | C2 | H22 | 175.7° | 172.7° |
H1 | C1 | C2 | H21 | 56.9° | 66.9° |
H12 | C12 | C11 | H11 | 0.2° | 0.0° |
H321 | C32 | C33 | H331 | 59.8° | 59.9° |
H321 | C32 | C33 | H333 | 179.8° | NaN° |
H321 | C32 | C33 | H332 | 60.2° | 60.0° |
H322 | C32 | C33 | H331 | 59.8° | 60.0° |
H322 | C32 | C33 | H333 | 60.2° | 60.0° |
H322 | C32 | C33 | H332 | 179.8° | 180.0° |
H331 | C33 | H333 | H332 | 120.0° | 120.0° |
H9 | C9 | C8 | H8 | 0.4° | 0.3° |