7YF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.22Å | 1.20Å | |
C1 | C2 | sing | 1.47Å | 1.47Å | |
C1 | N1 | sing | 1.35Å | 1.30Å | |
C2 | C3 | doub | 1.33Å | 1.51Å | |
N1 | C4 | sing | 1.47Å | 1.44Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C4 | C5 | sing | 1.51Å | 1.48Å | |
C5 | O2 | doub | 1.21Å | 1.20Å | |
C5 | N2 | sing | 1.35Å | 1.31Å | |
N5 | C13 | doub | 1.30Å | 1.24Å | |
N2 | C6 | sing | 1.46Å | 1.44Å | |
O3 | C7 | doub | 1.21Å | 1.19Å | |
C13 | N4 | sing | 1.37Å | 1.31Å | |
C13 | N6 | sing | 1.38Å | 1.30Å | |
N4 | C12 | sing | 1.46Å | 1.44Å | |
C6 | C7 | sing | 1.51Å | 1.50Å | |
C7 | N3 | sing | 1.35Å | 1.30Å | |
C11 | C12 | sing | 1.53Å | 1.50Å | |
C11 | C10 | sing | 1.53Å | 1.50Å | |
N3 | C8 | sing | 1.46Å | 1.44Å | |
C8 | C10 | sing | 1.53Å | 1.51Å | |
C8 | C9 | sing | 1.51Å | 1.46Å | |
O4 | C9 | doub | 1.21Å | 1.20Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C12 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
C9 | H5 | sing | 1.08Å | 1.08Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.09Å | 1.10Å | |
N4 | H9 | sing | 0.97Å | 1.00Å | |
N6 | H10 | sing | 0.97Å | 1.00Å | |
N6 | H11 | sing | 0.97Å | 1.00Å | |
N5 | H12 | sing | 0.97Å | 1.00Å | |
N3 | H13 | sing | 0.97Å | 1.00Å | |
C6 | H14 | sing | 1.09Å | 1.10Å | |
C6 | H15 | sing | 1.09Å | 1.10Å | |
N2 | H16 | sing | 0.97Å | 1.00Å | |
C4 | H17 | sing | 1.09Å | 1.10Å | |
N1 | H18 | sing | 0.97Å | 1.00Å | |
C3 | H19 | sing | 1.08Å | 1.08Å | |
C2 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 121.5° | 125.0° |
O1 | C1 | N1 | 126.6° | 125.1° |
C2 | C1 | N1 | 111.9° | 110.0° |
C1 | C2 | C3 | 101.6° | 109.8° |
C1 | C2 | H20 | 129.2° | 125.1° |
C1 | N1 | C4 | 115.1° | 107.4° |
C1 | N1 | H18 | 122.5° | 126.3° |
C2 | C3 | C4 | 109.5° | 107.0° |
C2 | C3 | H19 | 125.2° | 126.5° |
C3 | C2 | H20 | 129.2° | 125.1° |
N1 | C4 | C3 | 101.2° | 105.9° |
N1 | C4 | C5 | 112.5° | 110.2° |
N1 | C4 | H17 | 112.1° | 110.2° |
C4 | N1 | H18 | 122.5° | 126.3° |
C3 | C4 | C5 | 108.0° | 110.1° |
C3 | C4 | H17 | 111.0° | 110.2° |
C4 | C3 | H19 | 125.2° | 126.5° |
C4 | C5 | O2 | 118.9° | 120.0° |
C4 | C5 | N2 | 118.2° | 120.0° |
C5 | C4 | H17 | 111.5° | 110.1° |
O2 | C5 | N2 | 122.9° | 120.0° |
C5 | N2 | C6 | 124.6° | 120.0° |
C5 | N2 | H16 | 117.7° | 120.0° |
N5 | C13 | N4 | 119.9° | 120.0° |
N5 | C13 | N6 | 120.0° | 120.0° |
C13 | N5 | H12 | 112.0° | 120.0° |
N2 | C6 | C7 | 107.5° | 109.5° |
N2 | C6 | H14 | 110.0° | 109.5° |
N2 | C6 | H15 | 110.0° | 109.5° |
C6 | N2 | H16 | 117.7° | 120.0° |
O3 | C7 | C6 | 119.8° | 120.0° |
O3 | C7 | N3 | 122.0° | 120.0° |
N4 | C13 | N6 | 120.1° | 120.0° |
C13 | N4 | C12 | 124.2° | 120.0° |
C13 | N4 | H9 | 117.9° | 120.0° |
C13 | N6 | H10 | 120.0° | 119.9° |
C13 | N6 | H11 | 120.0° | 120.0° |
N4 | C12 | C11 | 109.1° | 109.5° |
N4 | C12 | H3 | 109.6° | 109.5° |
N4 | C12 | H4 | 109.6° | 109.5° |
C12 | N4 | H9 | 117.9° | 120.0° |
C6 | C7 | N3 | 118.2° | 120.0° |
C7 | C6 | H14 | 109.9° | 109.4° |
C7 | C6 | H15 | 109.9° | 109.5° |
C7 | N3 | C8 | 121.6° | 120.0° |
C7 | N3 | H13 | 119.2° | 119.9° |
C12 | C11 | C10 | 112.0° | 109.5° |
C11 | C12 | H3 | 109.6° | 109.4° |
C11 | C12 | H4 | 109.6° | 109.5° |
C12 | C11 | H7 | 108.8° | 109.4° |
C12 | C11 | H8 | 108.8° | 109.5° |
C11 | C10 | C8 | 111.6° | 109.5° |
C11 | C10 | H1 | 108.9° | 109.4° |
C11 | C10 | H2 | 109.0° | 109.5° |
C10 | C11 | H7 | 108.8° | 109.4° |
C10 | C11 | H8 | 108.8° | 109.5° |
N3 | C8 | C10 | 105.2° | 109.5° |
N3 | C8 | C9 | 115.6° | 109.5° |
N3 | C8 | H6 | 108.5° | 109.5° |
C8 | N3 | H13 | 119.2° | 120.0° |
C10 | C8 | C9 | 111.1° | 109.5° |
C8 | C10 | H1 | 108.9° | 109.5° |
C8 | C10 | H2 | 108.9° | 109.5° |
C10 | C8 | H6 | 107.6° | 109.5° |
C8 | C9 | O4 | 120.9° | 120.0° |
C8 | C9 | H5 | 119.6° | 120.0° |
C9 | C8 | H6 | 108.3° | 109.4° |
O4 | C9 | H5 | 119.6° | 120.0° |
H1 | C10 | H2 | 109.5° | 109.4° |
H3 | C12 | H4 | 109.5° | 109.4° |
H7 | C11 | H8 | 109.5° | 109.5° |
H10 | N6 | H11 | 120.0° | 120.1° |
H14 | C6 | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | N1 | 178.7° | 179.9° |
O1 | C1 | C2 | C3 | 170.9° | 179.9° |
O1 | C1 | N1 | C4 | 170.1° | 179.9° |
O1 | C1 | N1 | H18 | 9.9° | 0.0° |
O1 | C1 | C2 | H20 | 9.1° | 0.1° |
C1 | C2 | C3 | H20 | 180.0° | 179.9° |
C2 | C1 | N1 | C4 | 8.6° | 0.0° |
C1 | C2 | C3 | C4 | 4.6° | 0.0° |
C2 | C1 | N1 | H18 | 171.4° | 180.0° |
C1 | C2 | C3 | H19 | 175.4° | 180.0° |
N1 | C1 | C2 | C3 | 7.9° | 0.0° |
C1 | N1 | C4 | H18 | 180.0° | 179.9° |
C1 | N1 | C4 | C3 | 4.9° | 0.0° |
C1 | N1 | C4 | C5 | 110.2° | 119.1° |
C1 | N1 | C4 | H17 | 123.3° | 119.2° |
N1 | C1 | C2 | H20 | 172.2° | 180.0° |
C2 | C3 | C4 | N1 | 0.4° | 0.0° |
C2 | C3 | C4 | H19 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 118.8° | 119.1° |
C2 | C3 | C4 | H17 | 118.7° | 119.2° |
N1 | C4 | C3 | C5 | 118.4° | 119.1° |
N1 | C4 | C3 | H17 | 119.1° | 119.2° |
N1 | C4 | C5 | H17 | 126.9° | 121.8° |
N1 | C4 | C5 | O2 | 69.4° | 1.1° |
N1 | C4 | C5 | N2 | 110.9° | 179.2° |
N1 | C4 | C3 | H19 | 179.6° | 179.9° |
C3 | C4 | C5 | H17 | 122.2° | 121.8° |
C3 | C4 | C5 | O2 | 41.5° | 117.5° |
C3 | C4 | C5 | N2 | 138.2° | 62.8° |
C3 | C4 | N1 | H18 | 175.1° | 179.9° |
C4 | C3 | C2 | H20 | 175.4° | 180.0° |
C4 | C5 | O2 | N2 | 179.7° | 179.7° |
C4 | C5 | N2 | C6 | 178.9° | 179.7° |
C4 | C5 | N2 | H16 | 1.1° | 0.3° |
C5 | C4 | N1 | H18 | 69.8° | 60.8° |
C5 | C4 | C3 | H19 | 61.2° | 60.9° |
O2 | C5 | N2 | C6 | 1.4° | 0.0° |
O2 | C5 | N2 | H16 | 178.6° | 180.0° |
O2 | C5 | C4 | H17 | 163.7° | 120.7° |
C5 | N2 | C6 | H16 | 180.0° | 179.9° |
C5 | N2 | C6 | C7 | 60.3° | 180.0° |
C5 | N2 | C6 | H14 | 59.4° | 60.0° |
C5 | N2 | C6 | H15 | 180.0° | 60.0° |
N2 | C5 | C4 | H17 | 16.0° | 59.0° |
N5 | C13 | N4 | N6 | 179.2° | 180.0° |
N5 | C13 | N4 | C12 | 176.1° | 0.0° |
N5 | C13 | N4 | H9 | 3.9° | 180.0° |
N5 | C13 | N6 | H10 | 179.2° | 180.0° |
N5 | C13 | N6 | H11 | 0.8° | 0.0° |
N2 | C6 | C7 | O3 | 30.3° | 0.1° |
N2 | C6 | C7 | H14 | 119.7° | 120.0° |
N2 | C6 | C7 | H15 | 119.7° | 120.0° |
N2 | C6 | C7 | N3 | 149.3° | 180.0° |
N2 | C6 | H14 | H15 | 120.9° | 120.0° |
O3 | C7 | C6 | N3 | 179.6° | 179.9° |
O3 | C7 | N3 | C8 | 0.2° | 0.1° |
O3 | C7 | N3 | H13 | 179.8° | 180.0° |
O3 | C7 | C6 | H14 | 150.0° | 120.0° |
O3 | C7 | C6 | H15 | 89.4° | 119.9° |
C13 | N4 | C12 | H9 | 180.0° | 180.0° |
C13 | N4 | C12 | C11 | 167.7° | 180.0° |
C13 | N4 | C12 | H3 | 47.7° | 60.0° |
C13 | N4 | C12 | H4 | 72.4° | 60.0° |
N4 | C13 | N6 | H10 | 0.0° | 0.0° |
N4 | C13 | N6 | H11 | 180.0° | 180.0° |
N4 | C13 | N5 | H12 | 179.2° | 180.0° |
N6 | C13 | N4 | C12 | 3.1° | 180.0° |
N6 | C13 | N4 | H9 | 176.9° | 0.0° |
C13 | N6 | H10 | H11 | 180.0° | 180.0° |
N6 | C13 | N5 | H12 | 0.0° | 0.0° |
N4 | C12 | C11 | H3 | 120.0° | 120.0° |
N4 | C12 | C11 | H4 | 119.9° | 120.1° |
N4 | C12 | C11 | C10 | 170.1° | 180.0° |
N4 | C12 | H3 | H4 | 120.2° | 120.1° |
N4 | C12 | C11 | H7 | 49.7° | 60.0° |
N4 | C12 | C11 | H8 | 69.5° | 60.0° |
C6 | C7 | N3 | C8 | 179.8° | 180.0° |
C6 | C7 | N3 | H13 | 0.2° | 0.1° |
C7 | C6 | H14 | H15 | 120.9° | 120.0° |
C7 | C6 | N2 | H16 | 119.7° | 0.1° |
C7 | N3 | C8 | H13 | 180.0° | 179.9° |
C7 | N3 | C8 | C10 | 135.7° | 154.9° |
C7 | N3 | C8 | C9 | 101.3° | 85.0° |
C7 | N3 | C8 | H6 | 20.7° | 35.0° |
N3 | C7 | C6 | H14 | 29.5° | 60.1° |
N3 | C7 | C6 | H15 | 91.0° | 60.0° |
C12 | C11 | C10 | H7 | 120.4° | 119.9° |
C12 | C11 | C10 | H8 | 120.4° | 120.1° |
C12 | C11 | C10 | C8 | 166.8° | 180.0° |
C12 | C11 | C10 | H1 | 72.9° | 60.0° |
C12 | C11 | C10 | H2 | 46.5° | 59.9° |
C11 | C12 | H3 | H4 | 120.2° | 119.9° |
C12 | C11 | H7 | H8 | 118.8° | 120.0° |
C11 | C12 | N4 | H9 | 12.4° | 0.0° |
C11 | C10 | C8 | N3 | 87.4° | 65.0° |
C11 | C10 | C8 | H1 | 120.3° | 120.0° |
C11 | C10 | C8 | H2 | 120.3° | 120.1° |
C11 | C10 | C8 | C9 | 146.8° | 175.0° |
C11 | C10 | H1 | H2 | 119.1° | 120.0° |
C10 | C11 | C12 | H3 | 69.9° | 60.0° |
C10 | C11 | C12 | H4 | 50.2° | 59.9° |
C11 | C10 | C8 | H6 | 28.3° | 55.0° |
C10 | C11 | H7 | H8 | 118.8° | 120.0° |
N3 | C8 | C10 | C9 | 125.9° | 120.0° |
N3 | C8 | C10 | H6 | 115.6° | 120.0° |
N3 | C8 | C9 | H6 | 122.1° | 120.0° |
N3 | C8 | C9 | O4 | 55.9° | 0.1° |
N3 | C8 | C10 | H1 | 152.3° | 55.0° |
N3 | C8 | C10 | H2 | 33.0° | 175.0° |
N3 | C8 | C9 | H5 | 124.1° | 180.0° |
C10 | C8 | C9 | H6 | 118.1° | 120.0° |
C10 | C8 | C9 | O4 | 175.8° | 120.0° |
C8 | C10 | H1 | H2 | 119.0° | 120.0° |
C10 | C8 | C9 | H5 | 4.2° | 59.9° |
C8 | C10 | C11 | H7 | 46.4° | 60.1° |
C8 | C10 | C11 | H8 | 72.8° | 60.0° |
C10 | C8 | N3 | H13 | 44.4° | 25.0° |
C8 | C9 | O4 | H5 | 180.0° | 179.9° |
C9 | C8 | C10 | H1 | 26.5° | 65.0° |
C9 | C8 | C10 | H2 | 92.9° | 54.9° |
C9 | C8 | N3 | H13 | 78.7° | 95.1° |
O4 | C9 | C8 | H6 | 66.1° | 120.0° |
H1 | C10 | C8 | H6 | 92.0° | 175.0° |
H1 | C10 | C11 | H7 | 166.7° | 179.9° |
H1 | C10 | C11 | H8 | 47.5° | 60.0° |
H2 | C10 | C8 | H6 | 148.6° | 65.0° |
H2 | C10 | C11 | H7 | 73.9° | 60.0° |
H2 | C10 | C11 | H8 | 166.9° | 180.0° |
H3 | C12 | C11 | H7 | 169.7° | 179.9° |
H3 | C12 | C11 | H8 | 50.5° | 60.0° |
H3 | C12 | N4 | H9 | 132.3° | 119.9° |
H4 | C12 | C11 | H7 | 70.2° | 60.0° |
H4 | C12 | C11 | H8 | 170.6° | 180.0° |
H4 | C12 | N4 | H9 | 107.6° | 120.0° |
H5 | C9 | C8 | H6 | 113.9° | 60.0° |
H6 | C8 | N3 | H13 | 159.4° | 145.0° |
H14 | C6 | N2 | H16 | 120.6° | 120.0° |
H15 | C6 | N2 | H16 | 0.0° | 120.0° |
H17 | C4 | N1 | H18 | 56.7° | 60.9° |
H17 | C4 | C3 | H19 | 61.2° | 60.8° |
H19 | C3 | C2 | H20 | 4.6° | 0.1° |