G59
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
F30 | C27 | sing | 1.35Å | 1.32Å | |
C29 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
C24 | C23 | sing | 1.51Å | 1.53Å | |
C23 | N21 | sing | 1.47Å | 1.46Å | |
N21 | C20 | sing | 1.35Å | 1.47Å | |
C20 | O22 | doub | 1.22Å | 1.23Å | |
C20 | C17 | sing | 1.47Å | 1.53Å | |
C18 | C17 | sing | 1.42Å | 1.38Å | Aromatic |
C18 | N19 | doub | 1.30Å | 1.32Å | Aromatic |
C17 | C5 | doub | 1.39Å | 1.43Å | Aromatic |
N19 | N4 | sing | 1.39Å | 1.37Å | Aromatic |
C5 | N4 | sing | 1.35Å | 1.35Å | Aromatic |
C5 | N6 | sing | 1.38Å | 1.42Å | |
N4 | C3 | sing | 1.47Å | 1.43Å | |
N6 | C1 | sing | 1.47Å | 1.47Å | |
C3 | C13 | sing | 1.53Å | 1.49Å | |
C3 | C2 | sing | 1.54Å | 1.51Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | C7 | sing | 1.51Å | 1.53Å | |
C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C32 | sing | 1.51Å | 1.52Å | |
C33 | C32 | sing | 1.53Å | 1.50Å | |
N21 | HN21 | sing | 0.97Å | 1.00Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C29 | H29 | sing | 1.08Å | 1.08Å | |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
N6 | HN6 | sing | 1.01Å | 1.00Å | |
C1 | H49 | sing | 1.09Å | 1.10Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H133 | sing | 1.09Å | 1.10Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C13 | H132 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C32 | H322 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C33 | H333 | sing | 1.09Å | 1.10Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C29 | C28 | C27 | 119.2° | 120.0° |
C28 | C29 | C24 | 122.2° | 120.0° |
C28 | C29 | H29 | 118.9° | 120.0° |
C29 | C28 | H28 | 120.4° | 120.0° |
C28 | C27 | F30 | 119.5° | 120.0° |
C28 | C27 | C26 | 120.7° | 120.0° |
C27 | C28 | H28 | 120.4° | 120.0° |
F30 | C27 | C26 | 119.9° | 120.0° |
C29 | C24 | C25 | 116.3° | 120.0° |
C29 | C24 | C23 | 121.4° | 120.0° |
C24 | C29 | H29 | 118.9° | 120.0° |
C27 | C26 | C25 | 118.8° | 120.0° |
C27 | C26 | H26 | 120.7° | 120.0° |
C26 | C25 | C24 | 122.9° | 120.0° |
C26 | C25 | H25 | 118.5° | 120.0° |
C25 | C26 | H26 | 120.6° | 120.0° |
C25 | C24 | C23 | 122.3° | 120.0° |
C24 | C25 | H25 | 118.5° | 120.0° |
C24 | C23 | N21 | 108.5° | 109.5° |
C24 | C23 | H231 | 109.7° | 109.5° |
C24 | C23 | H232 | 109.7° | 109.5° |
C23 | N21 | C20 | 117.4° | 120.0° |
C23 | N21 | HN21 | 121.3° | 120.0° |
N21 | C23 | H231 | 109.7° | 109.5° |
N21 | C23 | H232 | 109.7° | 109.4° |
N21 | C20 | O22 | 120.3° | 120.1° |
N21 | C20 | C17 | 121.1° | 120.0° |
C20 | N21 | HN21 | 121.3° | 120.1° |
O22 | C20 | C17 | 118.6° | 120.0° |
C20 | C17 | C18 | 128.9° | 126.5° |
C20 | C17 | C5 | 126.3° | 126.6° |
C17 | C18 | N19 | 112.5° | 108.2° |
C18 | C17 | C5 | 104.9° | 106.9° |
C17 | C18 | H18 | 123.7° | 125.9° |
C18 | N19 | N4 | 105.2° | 109.2° |
N19 | C18 | H18 | 123.8° | 125.9° |
C17 | C5 | N4 | 105.4° | 107.1° |
C17 | C5 | N6 | 133.5° | 127.6° |
N19 | N4 | C5 | 112.0° | 108.6° |
N19 | N4 | C3 | 122.6° | 127.4° |
N4 | C5 | N6 | 121.1° | 125.3° |
C5 | N4 | C3 | 125.4° | 124.0° |
C5 | N6 | C1 | 118.9° | 110.7° |
C5 | N6 | HN6 | 107.1° | 111.0° |
N4 | C3 | C13 | 109.1° | 109.8° |
N4 | C3 | C2 | 111.3° | 107.8° |
N4 | C3 | H3 | 109.7° | 109.8° |
N6 | C1 | C2 | 111.9° | 109.6° |
N6 | C1 | C7 | 113.1° | 109.5° |
C1 | N6 | HN6 | 107.1° | 111.0° |
N6 | C1 | H49 | 108.1° | 109.4° |
C13 | C3 | C2 | 109.3° | 109.8° |
C13 | C3 | H3 | 108.8° | 109.8° |
C3 | C13 | H133 | 109.5° | 109.5° |
C3 | C13 | H131 | 109.5° | 109.5° |
C3 | C13 | H132 | 109.5° | 109.5° |
C3 | C2 | C1 | 114.3° | 108.8° |
C3 | C2 | H21 | 108.2° | 109.6° |
C3 | C2 | H22 | 108.3° | 109.7° |
C2 | C3 | H3 | 108.6° | 109.9° |
C2 | C1 | C7 | 108.6° | 109.4° |
C2 | C1 | H49 | 107.4° | 109.4° |
C1 | C2 | H21 | 108.3° | 109.6° |
C1 | C2 | H22 | 108.3° | 109.6° |
C1 | C7 | C8 | 123.0° | 120.0° |
C1 | C7 | C12 | 121.0° | 120.0° |
C7 | C1 | H49 | 107.4° | 109.5° |
C7 | C8 | C9 | 121.3° | 120.0° |
C8 | C7 | C12 | 116.0° | 120.0° |
C7 | C8 | H8 | 119.4° | 120.0° |
C8 | C9 | C10 | 122.6° | 120.0° |
C9 | C8 | H8 | 119.4° | 120.1° |
C8 | C9 | H9 | 118.7° | 120.0° |
C7 | C12 | C11 | 123.2° | 120.0° |
C7 | C12 | H12 | 118.4° | 120.0° |
C9 | C10 | C11 | 115.4° | 120.0° |
C9 | C10 | C32 | 122.3° | 120.0° |
C10 | C9 | H9 | 118.7° | 120.0° |
C12 | C11 | C10 | 121.5° | 120.0° |
C12 | C11 | H11 | 119.2° | 120.0° |
C11 | C12 | H12 | 118.4° | 120.0° |
C11 | C10 | C32 | 122.3° | 120.0° |
C10 | C11 | H11 | 119.3° | 120.0° |
C10 | C32 | C33 | 111.2° | 109.5° |
C10 | C32 | H321 | 109.1° | 109.5° |
C10 | C32 | H322 | 109.1° | 109.5° |
C33 | C32 | H321 | 109.1° | 109.5° |
C33 | C32 | H322 | 109.0° | 109.4° |
C32 | C33 | H332 | 109.5° | 109.5° |
C32 | C33 | H333 | 109.4° | 109.5° |
C32 | C33 | H331 | 109.5° | 109.5° |
H231 | C23 | H232 | 109.5° | 109.5° |
H21 | C2 | H22 | 109.5° | 109.6° |
H133 | C13 | H131 | 109.5° | 109.4° |
H133 | C13 | H132 | 109.4° | 109.5° |
H131 | C13 | H132 | 109.5° | 109.5° |
H321 | C32 | H322 | 109.5° | 109.5° |
H332 | C33 | H333 | 109.4° | 109.4° |
H332 | C33 | H331 | 109.5° | 109.4° |
H333 | C33 | H331 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C29 | C28 | C27 | H28 | 180.0° | 179.5° |
C29 | C28 | C27 | F30 | 179.7° | 180.0° |
C28 | C29 | C24 | H29 | 180.0° | 179.9° |
C29 | C28 | C27 | C26 | 0.2° | 0.8° |
C28 | C29 | C24 | C25 | 0.3° | 0.1° |
C28 | C29 | C24 | C23 | 179.9° | 179.7° |
C28 | C27 | F30 | C26 | 179.9° | 179.2° |
C27 | C28 | C29 | C24 | 0.2° | 0.5° |
C28 | C27 | C26 | C25 | 0.2° | 0.5° |
C28 | C27 | C26 | H26 | 179.8° | 179.5° |
C27 | C28 | C29 | H29 | 179.8° | 179.5° |
F30 | C27 | C26 | C25 | 179.6° | 179.8° |
F30 | C27 | C26 | H26 | 0.4° | 0.3° |
F30 | C27 | C28 | H28 | 0.3° | 0.5° |
C29 | C24 | C25 | C26 | 0.3° | 0.2° |
C29 | C24 | C25 | C23 | 179.8° | 179.8° |
C29 | C24 | C23 | N21 | 151.7° | 90.2° |
C29 | C24 | C23 | H231 | 88.5° | 149.8° |
C29 | C24 | C23 | H232 | 31.8° | 29.7° |
C29 | C24 | C25 | H25 | 179.7° | 179.7° |
C24 | C29 | C28 | H28 | 179.8° | 180.0° |
C27 | C26 | C25 | H26 | 180.0° | 179.9° |
C27 | C26 | C25 | C24 | 0.3° | 0.0° |
C27 | C26 | C25 | H25 | 179.7° | 180.0° |
C26 | C27 | C28 | H28 | 179.8° | 179.7° |
C26 | C25 | C24 | H25 | 180.0° | 179.9° |
C26 | C25 | C24 | C23 | 179.8° | 180.0° |
C25 | C24 | C23 | N21 | 28.5° | 90.0° |
C25 | C24 | C23 | H231 | 91.3° | 30.0° |
C25 | C24 | C23 | H232 | 148.4° | 150.1° |
C24 | C25 | C26 | H26 | 179.7° | 180.0° |
C25 | C24 | C29 | H29 | 179.8° | 180.0° |
C24 | C23 | N21 | H231 | 119.8° | 120.0° |
C24 | C23 | N21 | H232 | 119.9° | 120.0° |
C24 | C23 | N21 | C20 | 93.9° | 180.0° |
C24 | C23 | N21 | HN21 | 86.1° | 0.0° |
C24 | C23 | H231 | H232 | 120.5° | 120.1° |
C23 | C24 | C25 | H25 | 0.2° | 0.0° |
C23 | C24 | C29 | H29 | 0.1° | 0.2° |
C23 | N21 | C20 | HN21 | 180.0° | 179.9° |
C23 | N21 | C20 | O22 | 0.4° | 0.0° |
C23 | N21 | C20 | C17 | 178.8° | 179.7° |
N21 | C23 | H231 | H232 | 120.4° | 119.9° |
N21 | C20 | O22 | C17 | 179.2° | 179.7° |
N21 | C20 | C17 | C18 | 12.3° | 0.6° |
N21 | C20 | C17 | C5 | 168.9° | 179.7° |
C20 | N21 | C23 | H231 | 26.0° | 60.0° |
C20 | N21 | C23 | H232 | 146.3° | 60.0° |
O22 | C20 | C17 | C18 | 166.9° | 179.6° |
O22 | C20 | C17 | C5 | 11.8° | 0.0° |
O22 | C20 | N21 | HN21 | 179.6° | 180.0° |
C20 | C17 | C18 | C5 | 178.9° | 179.7° |
C20 | C17 | C18 | N19 | 179.6° | 179.9° |
C20 | C17 | C5 | N4 | 179.5° | 180.0° |
C20 | C17 | C5 | N6 | 1.0° | 0.1° |
C17 | C20 | N21 | HN21 | 1.1° | 0.3° |
C20 | C17 | C18 | H18 | 0.4° | 0.1° |
C17 | C18 | N19 | H18 | 180.0° | 179.8° |
C17 | C18 | N19 | N4 | 0.5° | 0.4° |
C18 | C17 | C5 | N4 | 0.6° | 0.3° |
C18 | C17 | C5 | N6 | 180.0° | 179.8° |
N19 | C18 | C17 | C5 | 0.7° | 0.4° |
C18 | N19 | N4 | C5 | 0.1° | 0.2° |
C18 | N19 | N4 | C3 | 179.8° | 179.8° |
C17 | C5 | N4 | N19 | 0.3° | 0.1° |
C17 | C5 | N4 | N6 | 179.5° | 179.9° |
C17 | C5 | N4 | C3 | 179.8° | 180.0° |
C17 | C5 | N6 | C1 | 176.0° | 161.9° |
C5 | C17 | C18 | H18 | 179.4° | 179.8° |
C17 | C5 | N6 | HN6 | 54.7° | 38.0° |
N19 | N4 | C5 | C3 | 179.9° | 180.0° |
N19 | N4 | C5 | N6 | 179.8° | 180.0° |
N19 | N4 | C3 | C13 | 39.7° | 45.2° |
N19 | N4 | C3 | C2 | 160.4° | 164.8° |
N4 | N19 | C18 | H18 | 179.5° | 179.8° |
N19 | N4 | C3 | H3 | 79.4° | 75.6° |
N4 | C5 | N6 | C1 | 4.6° | 18.1° |
C5 | N4 | C3 | C13 | 140.5° | 134.7° |
C5 | N4 | C3 | C2 | 19.7° | 15.2° |
N4 | C5 | N6 | HN6 | 125.9° | 141.9° |
C5 | N4 | C3 | H3 | 100.5° | 104.5° |
N6 | C5 | N4 | C3 | 0.3° | 0.0° |
C5 | N6 | C1 | HN6 | 121.3° | 123.8° |
C5 | N6 | C1 | C2 | 27.5° | 50.5° |
C5 | N6 | C1 | C7 | 150.6° | 170.6° |
C5 | N6 | C1 | H49 | 90.6° | 69.5° |
N4 | C3 | C13 | C2 | 122.0° | 118.3° |
N4 | C3 | C13 | H3 | 119.6° | 120.8° |
N4 | C3 | C2 | H3 | 120.9° | 119.6° |
N4 | C3 | C2 | C1 | 42.6° | 46.4° |
N4 | C3 | C2 | H21 | 78.1° | 166.3° |
N4 | C3 | C2 | H22 | 163.3° | 73.5° |
N4 | C3 | C13 | H133 | 180.0° | 60.0° |
N4 | C3 | C13 | H131 | 60.0° | 179.9° |
N4 | C3 | C13 | H132 | 60.0° | 60.1° |
N6 | C1 | C2 | C3 | 47.0° | 67.3° |
N6 | C1 | C2 | C7 | 125.6° | 120.0° |
N6 | C1 | C2 | H49 | 118.5° | 120.0° |
N6 | C1 | C7 | H49 | 119.2° | 120.0° |
N6 | C1 | C7 | C8 | 44.6° | 40.3° |
N6 | C1 | C7 | C12 | 136.7° | 140.0° |
N6 | C1 | C2 | H21 | 73.7° | 172.9° |
N6 | C1 | C2 | H22 | 167.7° | 52.6° |
C13 | C3 | C2 | H3 | 118.5° | 120.9° |
C13 | C3 | C2 | C1 | 163.2° | 165.9° |
C13 | C3 | C2 | H21 | 42.5° | 74.2° |
C13 | C3 | C2 | H22 | 76.1° | 46.0° |
C3 | C13 | H133 | H131 | 120.0° | 120.0° |
C3 | C13 | H133 | H132 | 120.0° | 120.1° |
C3 | C13 | H131 | H132 | 120.0° | 120.0° |
C3 | C2 | C1 | H21 | 120.7° | 119.8° |
C3 | C2 | C1 | H22 | 120.7° | 119.9° |
C3 | C2 | C1 | C7 | 172.6° | 172.7° |
C3 | C2 | C1 | H49 | 71.6° | 52.7° |
C3 | C2 | H21 | H22 | 117.8° | 120.3° |
C2 | C3 | C13 | H133 | 58.0° | 178.3° |
C2 | C3 | C13 | H131 | 62.0° | 61.7° |
C2 | C3 | C13 | H132 | 178.0° | 58.3° |
C2 | C1 | C7 | H49 | 115.9° | 119.9° |
C2 | C1 | C7 | C8 | 80.3° | 79.8° |
C2 | C1 | C7 | C12 | 98.5° | 99.9° |
C2 | C1 | N6 | HN6 | 148.9° | 174.4° |
C1 | C2 | H21 | H22 | 117.8° | 120.3° |
C1 | C2 | C3 | H3 | 78.3° | 73.2° |
C1 | C7 | C8 | C12 | 178.8° | 179.7° |
C1 | C7 | C8 | C9 | 178.9° | 180.0° |
C1 | C7 | C12 | C11 | 179.1° | 179.8° |
C7 | C1 | N6 | HN6 | 88.0° | 65.6° |
C7 | C1 | C2 | H21 | 51.9° | 52.8° |
C7 | C1 | C2 | H22 | 66.7° | 67.4° |
C1 | C7 | C8 | H8 | 1.1° | 0.0° |
C1 | C7 | C12 | H12 | 1.0° | 0.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.1° | 0.0° |
C8 | C7 | C12 | C11 | 0.2° | 0.5° |
C8 | C7 | C1 | H49 | 163.8° | 160.2° |
C7 | C8 | C9 | H9 | 179.9° | 180.0° |
C8 | C7 | C12 | H12 | 179.8° | 179.7° |
C9 | C8 | C7 | C12 | 0.1° | 0.3° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C8 | C9 | C10 | C11 | 0.2° | 0.0° |
C8 | C9 | C10 | C32 | 179.5° | 180.0° |
C7 | C12 | C11 | H12 | 180.0° | 179.8° |
C7 | C12 | C11 | C10 | 0.2° | 0.4° |
C12 | C7 | C1 | H49 | 17.5° | 20.0° |
C12 | C7 | C8 | H8 | 179.9° | 179.7° |
C7 | C12 | C11 | H11 | 179.8° | 179.8° |
C9 | C10 | C11 | C12 | 0.0° | 0.2° |
C9 | C10 | C11 | C32 | 179.4° | 180.0° |
C9 | C10 | C32 | C33 | 55.9° | 90.0° |
C10 | C9 | C8 | H8 | 179.9° | 180.0° |
C9 | C10 | C32 | H321 | 64.4° | 150.0° |
C9 | C10 | C32 | H322 | 176.1° | 29.9° |
C9 | C10 | C11 | H11 | 180.0° | 180.0° |
C12 | C11 | C10 | H11 | 180.0° | 179.8° |
C12 | C11 | C10 | C32 | 179.4° | 179.8° |
C11 | C10 | C32 | C33 | 124.8° | 90.0° |
C11 | C10 | C9 | H9 | 179.8° | 180.0° |
C11 | C10 | C32 | H321 | 115.0° | 30.0° |
C11 | C10 | C32 | H322 | 4.5° | 150.1° |
C10 | C11 | C12 | H12 | 179.8° | 179.8° |
C10 | C32 | C33 | H321 | 120.3° | 120.0° |
C10 | C32 | C33 | H322 | 120.3° | 120.0° |
C32 | C10 | C9 | H9 | 0.4° | 0.0° |
C10 | C32 | H321 | H322 | 119.2° | 120.1° |
C10 | C32 | C33 | H332 | 180.0° | 59.9° |
C10 | C32 | C33 | H333 | 60.0° | 60.0° |
C10 | C32 | C33 | H331 | 60.0° | 180.0° |
C32 | C10 | C11 | H11 | 0.6° | 0.0° |
C33 | C32 | H321 | H322 | 119.2° | 120.0° |
C32 | C33 | H332 | H333 | 120.0° | 120.0° |
C32 | C33 | H332 | H331 | 120.0° | 120.1° |
C32 | C33 | H333 | H331 | 120.0° | 120.1° |
HN21 | N21 | C23 | H231 | 154.0° | 120.0° |
HN21 | N21 | C23 | H232 | 33.8° | 120.1° |
H25 | C25 | C26 | H26 | 0.3° | 0.1° |
H29 | C29 | C28 | H28 | 0.2° | 0.0° |
HN6 | N6 | C1 | H49 | 30.7° | 54.4° |
H49 | C1 | C2 | H21 | 167.7° | 67.1° |
H49 | C1 | C2 | H22 | 49.2° | 172.6° |
H21 | C2 | C3 | H3 | 161.0° | 46.6° |
H22 | C2 | C3 | H3 | 42.5° | 166.9° |
H3 | C3 | C13 | H133 | 60.4° | 60.8° |
H3 | C3 | C13 | H131 | 179.6° | 59.1° |
H3 | C3 | C13 | H132 | 59.6° | 179.2° |
H133 | C13 | H131 | H132 | 119.9° | 120.0° |
H8 | C8 | C9 | H9 | 0.1° | 0.1° |
H321 | C32 | C33 | H332 | 59.8° | 180.0° |
H321 | C32 | C33 | H333 | 179.7° | 60.0° |
H321 | C32 | C33 | H331 | 60.3° | 60.0° |
H322 | C32 | C33 | H332 | 59.7° | 60.0° |
H322 | C32 | C33 | H333 | 60.2° | 180.0° |
H322 | C32 | C33 | H331 | 179.7° | 60.0° |
H332 | C33 | H333 | H331 | 120.0° | 119.9° |
H11 | C11 | C12 | H12 | 0.2° | 0.0° |