FN6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | C3 | doub | 1.21Å | 1.30Å | |
O4 | C3 | sing | 1.34Å | 1.22Å | |
C3 | C2 | sing | 1.51Å | 1.52Å | |
C11 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
C11 | C7 | doub | 1.35Å | 1.36Å | Aromatic |
N10 | C9 | sing | 1.35Å | 1.34Å | Aromatic |
O16 | C15 | doub | 1.21Å | 1.31Å | |
C7 | C6 | sing | 1.51Å | 1.49Å | |
C7 | N8 | sing | 1.34Å | 1.38Å | Aromatic |
C6 | C2 | sing | 1.53Å | 1.53Å | |
C2 | N1 | sing | 1.47Å | 1.46Å | |
N1 | C12 | sing | 1.47Å | 1.47Å | |
C9 | N8 | doub | 1.31Å | 1.32Å | Aromatic |
C13 | C12 | sing | 1.53Å | 1.52Å | |
C13 | C14 | sing | 1.53Å | 1.55Å | |
C15 | O17 | sing | 1.34Å | 1.21Å | |
C15 | C14 | sing | 1.51Å | 1.53Å | |
C14 | N18 | sing | 1.47Å | 1.47Å | |
N10 | H1 | sing | 0.97Å | 1.00Å | |
C11 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
C14 | H5 | sing | 1.09Å | 1.10Å | |
N1 | H6 | sing | 1.01Å | 1.00Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
O4 | H9 | sing | 0.97Å | 0.95Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C9 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.09Å | 1.10Å | |
O17 | H16 | sing | 0.97Å | 0.95Å | |
N18 | H17 | sing | 1.01Å | 1.00Å | |
N18 | H18 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C3 | O4 | 125.0° | 119.9° |
O5 | C3 | C2 | 111.3° | 120.0° |
O4 | C3 | C2 | 123.8° | 120.1° |
C3 | O4 | H9 | 109.5° | 117.1° |
C3 | C2 | C6 | 110.0° | 109.4° |
C3 | C2 | N1 | 110.9° | 109.5° |
C3 | C2 | H8 | 108.1° | 109.5° |
N10 | C11 | C7 | 106.7° | 106.9° |
C11 | N10 | C9 | 107.1° | 107.2° |
C11 | N10 | H1 | 126.4° | 126.4° |
N10 | C11 | H2 | 126.7° | 126.6° |
C11 | C7 | C6 | 129.4° | 126.0° |
C11 | C7 | N8 | 109.1° | 108.0° |
C7 | C11 | H2 | 126.7° | 126.6° |
N10 | C9 | N8 | 111.9° | 108.7° |
C9 | N10 | H1 | 126.4° | 126.4° |
N10 | C9 | H13 | 124.1° | 125.7° |
O16 | C15 | O17 | 124.4° | 120.0° |
O16 | C15 | C14 | 112.6° | 120.0° |
C6 | C7 | N8 | 121.5° | 126.0° |
C7 | C6 | C2 | 113.0° | 109.5° |
C7 | C6 | H10 | 108.6° | 109.4° |
C7 | C6 | H11 | 108.6° | 109.5° |
C7 | N8 | C9 | 105.2° | 109.2° |
C6 | C2 | N1 | 111.0° | 109.5° |
C6 | C2 | H8 | 107.9° | 109.5° |
C2 | C6 | H10 | 108.6° | 109.5° |
C2 | C6 | H11 | 108.5° | 109.5° |
C2 | N1 | C12 | 113.7° | 111.0° |
C2 | N1 | H6 | 108.4° | 111.0° |
N1 | C2 | H8 | 108.8° | 109.5° |
N1 | C12 | C13 | 110.5° | 109.5° |
C12 | N1 | H6 | 108.4° | 111.0° |
N1 | C12 | H14 | 109.2° | 109.5° |
N1 | C12 | H15 | 109.2° | 109.5° |
N8 | C9 | H13 | 124.1° | 125.6° |
C12 | C13 | C14 | 110.4° | 109.5° |
C12 | C13 | H3 | 109.3° | 109.5° |
C12 | C13 | H4 | 109.3° | 109.5° |
C13 | C12 | H14 | 109.2° | 109.5° |
C13 | C12 | H15 | 109.2° | 109.4° |
C13 | C14 | C15 | 110.5° | 109.5° |
C13 | C14 | N18 | 109.4° | 109.4° |
C14 | C13 | H3 | 109.2° | 109.5° |
C14 | C13 | H4 | 109.2° | 109.4° |
C13 | C14 | H5 | 107.8° | 109.5° |
O17 | C15 | C14 | 123.0° | 120.0° |
C15 | O17 | H16 | 109.5° | 117.0° |
C15 | C14 | N18 | 112.1° | 109.5° |
C15 | C14 | H5 | 108.1° | 109.5° |
N18 | C14 | H5 | 108.8° | 109.5° |
C14 | N18 | H17 | 109.5° | 111.0° |
C14 | N18 | H18 | 109.5° | 111.0° |
H3 | C13 | H4 | 109.5° | 109.4° |
H10 | C6 | H11 | 109.5° | 109.5° |
H14 | C12 | H15 | 109.5° | 109.5° |
H17 | N18 | H18 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C3 | O4 | C2 | 179.8° | 180.0° |
O5 | C3 | C2 | C6 | 74.5° | 120.0° |
O5 | C3 | C2 | N1 | 48.7° | 0.0° |
O5 | C3 | C2 | H8 | 167.9° | 120.0° |
O5 | C3 | O4 | H9 | 0.0° | 0.1° |
O4 | C3 | C2 | C6 | 105.3° | 60.0° |
O4 | C3 | C2 | N1 | 131.4° | 180.0° |
O4 | C3 | C2 | H8 | 12.2° | 60.0° |
C3 | C2 | C6 | C7 | 67.1° | 175.0° |
C3 | C2 | C6 | N1 | 123.2° | 120.0° |
C3 | C2 | C6 | H8 | 117.7° | 120.0° |
C3 | C2 | N1 | H8 | 118.8° | 120.0° |
C3 | C2 | N1 | C12 | 74.3° | 85.0° |
C3 | C2 | N1 | H6 | 165.1° | 151.0° |
C2 | C3 | O4 | H9 | 179.9° | 180.0° |
C3 | C2 | C6 | H10 | 172.4° | 55.0° |
C3 | C2 | C6 | H11 | 53.4° | 65.0° |
N10 | C11 | C7 | H2 | 180.0° | 180.0° |
C11 | N10 | C9 | H1 | 180.0° | 179.7° |
N10 | C11 | C7 | C6 | 179.0° | 180.0° |
N10 | C11 | C7 | N8 | 0.1° | 0.0° |
C11 | N10 | C9 | N8 | 0.1° | 0.0° |
C11 | N10 | C9 | H13 | 180.0° | 179.8° |
C7 | C11 | N10 | C9 | 0.0° | 0.0° |
C11 | C7 | C6 | N8 | 179.0° | 180.0° |
C11 | C7 | C6 | C2 | 87.1° | 125.0° |
C11 | C7 | N8 | C9 | 0.1° | 0.0° |
C7 | C11 | N10 | H1 | 180.0° | 179.7° |
C11 | C7 | C6 | H10 | 152.3° | 5.0° |
C11 | C7 | C6 | H11 | 33.4° | 115.0° |
N10 | C9 | N8 | C7 | 0.1° | 0.0° |
N10 | C9 | N8 | H13 | 180.0° | 179.8° |
C9 | N10 | C11 | H2 | 180.0° | 180.0° |
O16 | C15 | C14 | C13 | 64.3° | 100.0° |
O16 | C15 | O17 | C14 | 179.5° | 180.0° |
O16 | C15 | C14 | N18 | 173.3° | 20.0° |
O16 | C15 | C14 | H5 | 53.5° | 140.0° |
O16 | C15 | O17 | H16 | 0.0° | 0.0° |
C7 | C6 | C2 | H10 | 120.6° | 120.0° |
C7 | C6 | C2 | H11 | 120.5° | 120.0° |
C7 | C6 | C2 | N1 | 169.7° | 65.0° |
C6 | C7 | N8 | C9 | 179.0° | 180.0° |
C6 | C7 | C11 | H2 | 1.0° | 0.0° |
C7 | C6 | C2 | H8 | 50.6° | 55.0° |
C7 | C6 | H10 | H11 | 118.4° | 120.0° |
N8 | C7 | C6 | C2 | 91.9° | 55.0° |
N8 | C7 | C11 | H2 | 179.9° | 180.0° |
N8 | C7 | C6 | H10 | 28.7° | 175.0° |
N8 | C7 | C6 | H11 | 147.6° | 65.0° |
C7 | N8 | C9 | H13 | 179.9° | 179.8° |
C6 | C2 | N1 | H8 | 118.6° | 120.0° |
C6 | C2 | N1 | C12 | 163.1° | 155.0° |
C6 | C2 | N1 | H6 | 42.4° | 31.0° |
C2 | C6 | H10 | H11 | 118.3° | 120.0° |
C2 | N1 | C12 | H6 | 120.6° | 123.9° |
C2 | N1 | C12 | C13 | 150.3° | 180.0° |
N1 | C2 | C6 | H10 | 49.2° | 175.0° |
N1 | C2 | C6 | H11 | 69.7° | 54.9° |
C2 | N1 | C12 | H14 | 30.2° | 60.0° |
C2 | N1 | C12 | H15 | 89.5° | 60.0° |
N1 | C12 | C13 | H14 | 120.2° | 120.0° |
N1 | C12 | C13 | H15 | 120.2° | 120.0° |
N1 | C12 | C13 | C14 | 71.5° | 180.0° |
N1 | C12 | C13 | H3 | 48.7° | 59.9° |
N1 | C12 | C13 | H4 | 168.4° | 60.0° |
C12 | N1 | C2 | H8 | 44.5° | 35.0° |
N1 | C12 | H14 | H15 | 119.5° | 120.0° |
N8 | C9 | N10 | H1 | 179.9° | 179.7° |
C12 | C13 | C14 | H3 | 120.1° | 120.0° |
C12 | C13 | C14 | H4 | 120.1° | 120.0° |
C12 | C13 | C14 | C15 | 146.5° | 175.0° |
C12 | C13 | C14 | N18 | 89.6° | 65.0° |
C12 | C13 | H3 | H4 | 119.6° | 120.0° |
C12 | C13 | C14 | H5 | 28.6° | 54.9° |
C13 | C12 | N1 | H6 | 89.0° | 56.1° |
C13 | C12 | H14 | H15 | 119.5° | 120.0° |
C13 | C14 | C15 | O17 | 116.2° | 80.0° |
C13 | C14 | C15 | N18 | 122.4° | 119.9° |
C13 | C14 | C15 | H5 | 117.7° | 120.0° |
C13 | C14 | N18 | H5 | 117.6° | 120.0° |
C14 | C13 | H3 | H4 | 119.6° | 120.0° |
C14 | C13 | C12 | H14 | 168.4° | 59.9° |
C14 | C13 | C12 | H15 | 48.7° | 60.0° |
C13 | C14 | N18 | H17 | 180.0° | 176.1° |
C13 | C14 | N18 | H18 | 60.0° | 60.0° |
O17 | C15 | C14 | N18 | 6.2° | 160.0° |
O17 | C15 | C14 | H5 | 126.1° | 40.0° |
C15 | C14 | N18 | H5 | 119.5° | 120.0° |
C15 | C14 | C13 | H3 | 26.4° | 65.0° |
C15 | C14 | C13 | H4 | 93.4° | 55.0° |
C14 | C15 | O17 | H16 | 179.5° | 180.0° |
C15 | C14 | N18 | H17 | 57.0° | 63.9° |
C15 | C14 | N18 | H18 | 63.0° | 60.0° |
N18 | C14 | C13 | H3 | 150.3° | 55.0° |
N18 | C14 | C13 | H4 | 30.6° | 175.0° |
C14 | N18 | H17 | H18 | 120.0° | 123.9° |
H1 | N10 | C11 | H2 | 0.0° | 0.4° |
H1 | N10 | C9 | H13 | 0.0° | 0.1° |
H3 | C13 | C14 | H5 | 91.5° | 175.0° |
H3 | C13 | C12 | H14 | 71.5° | 180.0° |
H3 | C13 | C12 | H15 | 168.8° | 60.0° |
H4 | C13 | C14 | H5 | 148.7° | 65.1° |
H4 | C13 | C12 | H14 | 48.3° | 60.0° |
H4 | C13 | C12 | H15 | 71.4° | 180.0° |
H5 | C14 | N18 | H17 | 62.4° | 56.1° |
H5 | C14 | N18 | H18 | 177.5° | 180.0° |
H6 | N1 | C2 | H8 | 76.1° | 89.0° |
H6 | N1 | C12 | H14 | 150.8° | 64.0° |
H6 | N1 | C12 | H15 | 31.1° | 176.0° |
H8 | C2 | C6 | H10 | 69.9° | 64.9° |
H8 | C2 | C6 | H11 | 171.1° | 175.0° |