Y7L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N11 | C2 | sing | 1.37Å | 1.45Å | |
N3 | C2 | sing | 1.36Å | 1.33Å | |
N3 | C4 | sing | 1.35Å | 1.33Å | |
C2 | N1 | doub | 1.31Å | 1.33Å | |
O10 | C4 | doub | 1.22Å | 1.40Å | |
C4 | C8 | sing | 1.41Å | 1.42Å | |
N1 | C9 | sing | 1.35Å | 1.35Å | |
C8 | C9 | doub | 1.40Å | 1.37Å | Aromatic |
C8 | N7 | sing | 1.38Å | 1.35Å | Aromatic |
C9 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
N7 | C29 | sing | 1.46Å | 1.45Å | |
N7 | C6 | sing | 1.36Å | 1.33Å | Aromatic |
C5 | C6 | doub | 1.35Å | 1.39Å | Aromatic |
C29 | C30 | sing | 1.53Å | 1.52Å | |
C30 | C31 | sing | 1.53Å | 1.53Å | |
C31 | C32 | sing | 1.53Å | 1.53Å | |
C32 | C33 | sing | 1.53Å | 1.52Å | |
C15 | C14 | sing | 1.37Å | 1.44Å | Aromatic |
C15 | C16 | doub | 1.34Å | 1.41Å | Aromatic |
C33 | C16 | sing | 1.51Å | 1.53Å | |
O28 | C26 | doub | 1.21Å | 1.26Å | |
C14 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
C16 | S12 | sing | 1.71Å | 1.68Å | Aromatic |
C13 | S12 | sing | 1.76Å | 1.68Å | Aromatic |
C13 | C17 | sing | 1.47Å | 1.53Å | |
C26 | O27 | sing | 1.34Å | 1.26Å | |
C26 | C20 | sing | 1.51Å | 1.52Å | |
N19 | C17 | sing | 1.35Å | 1.45Å | |
N19 | C20 | sing | 1.46Å | 1.45Å | |
C17 | O18 | doub | 1.22Å | 1.18Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C22 | C23 | sing | 1.51Å | 1.53Å | |
O25 | C23 | doub | 1.21Å | 1.40Å | |
C23 | O24 | sing | 1.34Å | 1.40Å | |
C5 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C15 | H5 | sing | 1.08Å | 1.08Å | |
C20 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C21 | H8 | sing | 1.09Å | 1.10Å | |
C22 | H9 | sing | 1.09Å | 1.10Å | |
C22 | H10 | sing | 1.09Å | 1.10Å | |
C29 | H11 | sing | 1.09Å | 1.10Å | |
C29 | H12 | sing | 1.09Å | 1.10Å | |
C30 | H13 | sing | 1.09Å | 1.10Å | |
C30 | H14 | sing | 1.09Å | 1.10Å | |
C31 | H15 | sing | 1.09Å | 1.10Å | |
C31 | H16 | sing | 1.09Å | 1.10Å | |
C32 | H17 | sing | 1.09Å | 1.10Å | |
C32 | H18 | sing | 1.09Å | 1.10Å | |
C33 | H19 | sing | 1.09Å | 1.10Å | |
C33 | H20 | sing | 1.09Å | 1.10Å | |
N11 | H21 | sing | 0.97Å | 1.00Å | |
N11 | H22 | sing | 0.97Å | 1.00Å | |
N19 | H23 | sing | 0.97Å | 1.00Å | |
O24 | H24 | sing | 0.97Å | 0.95Å | |
O27 | H25 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N11 | C2 | N3 | 118.8° | 119.1° |
N11 | C2 | N1 | 118.8° | 119.1° |
C2 | N11 | H21 | 120.0° | 120.0° |
C2 | N11 | H22 | 120.0° | 120.0° |
C2 | N3 | C4 | 119.2° | 120.4° |
N3 | C2 | N1 | 122.5° | 121.9° |
C2 | N3 | H3 | 120.4° | 119.8° |
N3 | C4 | O10 | 120.4° | 120.7° |
N3 | C4 | C8 | 119.9° | 118.5° |
C4 | N3 | H3 | 120.4° | 119.8° |
C2 | N1 | C9 | 121.8° | 120.9° |
O10 | C4 | C8 | 119.7° | 120.8° |
C4 | C8 | C9 | 119.3° | 118.7° |
C4 | C8 | N7 | 131.6° | 134.0° |
N1 | C9 | C8 | 117.4° | 119.6° |
N1 | C9 | C5 | 136.7° | 133.9° |
C9 | C8 | N7 | 109.1° | 107.3° |
C8 | C9 | C5 | 105.9° | 106.6° |
C8 | N7 | C29 | 123.7° | 125.6° |
C8 | N7 | C6 | 110.2° | 108.7° |
C9 | C5 | C6 | 106.4° | 107.9° |
C9 | C5 | H1 | 126.8° | 126.0° |
C29 | N7 | C6 | 126.1° | 125.6° |
N7 | C29 | C30 | 109.6° | 109.4° |
N7 | C29 | H11 | 109.4° | 109.5° |
N7 | C29 | H12 | 109.4° | 109.5° |
N7 | C6 | C5 | 108.4° | 109.5° |
N7 | C6 | H2 | 125.8° | 125.3° |
C6 | C5 | H1 | 126.8° | 126.0° |
C5 | C6 | H2 | 125.8° | 125.3° |
C29 | C30 | C31 | 111.9° | 109.4° |
C30 | C29 | H11 | 109.5° | 109.5° |
C30 | C29 | H12 | 109.4° | 109.5° |
C29 | C30 | H13 | 108.9° | 109.5° |
C29 | C30 | H14 | 108.9° | 109.5° |
C30 | C31 | C32 | 109.9° | 109.4° |
C31 | C30 | H13 | 108.9° | 109.5° |
C31 | C30 | H14 | 108.8° | 109.5° |
C30 | C31 | H15 | 109.4° | 109.5° |
C30 | C31 | H16 | 109.4° | 109.5° |
C31 | C32 | C33 | 111.4° | 109.5° |
C32 | C31 | H15 | 109.4° | 109.5° |
C32 | C31 | H16 | 109.4° | 109.4° |
C31 | C32 | H17 | 109.0° | 109.4° |
C31 | C32 | H18 | 109.0° | 109.5° |
C32 | C33 | C16 | 113.0° | 109.5° |
C33 | C32 | H17 | 109.0° | 109.5° |
C33 | C32 | H18 | 109.0° | 109.5° |
C32 | C33 | H19 | 108.6° | 109.5° |
C32 | C33 | H20 | 108.6° | 109.5° |
C14 | C15 | C16 | 114.1° | 115.1° |
C15 | C14 | C13 | 113.8° | 113.3° |
C15 | C14 | H4 | 123.1° | 123.4° |
C14 | C15 | H5 | 122.9° | 122.4° |
C15 | C16 | C33 | 129.1° | 124.6° |
C15 | C16 | S12 | 106.0° | 110.9° |
C16 | C15 | H5 | 123.0° | 122.4° |
C33 | C16 | S12 | 124.9° | 124.5° |
C16 | C33 | H19 | 108.6° | 109.4° |
C16 | C33 | H20 | 108.6° | 109.5° |
O28 | C26 | O27 | 120.4° | 120.0° |
O28 | C26 | C20 | 119.4° | 120.0° |
C14 | C13 | S12 | 106.2° | 109.1° |
C14 | C13 | C17 | 129.6° | 125.5° |
C13 | C14 | H4 | 123.1° | 123.3° |
C16 | S12 | C13 | 99.9° | 91.6° |
S12 | C13 | C17 | 124.1° | 125.5° |
C13 | C17 | N19 | 121.8° | 120.0° |
C13 | C17 | O18 | 118.6° | 120.0° |
O27 | C26 | C20 | 120.2° | 120.0° |
C26 | O27 | H25 | 109.5° | 117.0° |
C26 | C20 | N19 | 108.6° | 109.5° |
C26 | C20 | C21 | 112.2° | 109.5° |
C26 | C20 | H6 | 108.6° | 109.5° |
C17 | N19 | C20 | 117.7° | 120.0° |
N19 | C17 | O18 | 119.5° | 119.9° |
C17 | N19 | H23 | 121.1° | 120.0° |
N19 | C20 | C21 | 109.3° | 109.5° |
N19 | C20 | H6 | 109.6° | 109.5° |
C20 | N19 | H23 | 121.2° | 120.0° |
C20 | C21 | C22 | 109.1° | 109.4° |
C21 | C20 | H6 | 108.6° | 109.4° |
C20 | C21 | H7 | 109.6° | 109.4° |
C20 | C21 | H8 | 109.6° | 109.5° |
C21 | C22 | C23 | 114.4° | 109.5° |
C22 | C21 | H7 | 109.5° | 109.5° |
C22 | C21 | H8 | 109.5° | 109.5° |
C21 | C22 | H9 | 108.2° | 109.5° |
C21 | C22 | H10 | 108.2° | 109.5° |
C22 | C23 | O25 | 120.3° | 120.0° |
C22 | C23 | O24 | 119.4° | 120.0° |
C23 | C22 | H9 | 108.2° | 109.5° |
C23 | C22 | H10 | 108.2° | 109.4° |
O25 | C23 | O24 | 120.2° | 120.0° |
C23 | O24 | H24 | 109.5° | 117.0° |
H7 | C21 | H8 | 109.5° | 109.5° |
H9 | C22 | H10 | 109.5° | 109.5° |
H11 | C29 | H12 | 109.5° | 109.5° |
H13 | C30 | H14 | 109.5° | 109.5° |
H15 | C31 | H16 | 109.4° | 109.5° |
H17 | C32 | H18 | 109.4° | 109.5° |
H19 | C33 | H20 | 109.5° | 109.5° |
H21 | N11 | H22 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N11 | C2 | N3 | N1 | 179.8° | 179.5° |
N11 | C2 | N3 | C4 | 179.9° | 179.7° |
N11 | C2 | N1 | C9 | 179.9° | 180.0° |
N11 | C2 | N3 | H3 | 0.1° | 0.6° |
C2 | N11 | H21 | H22 | 180.0° | 180.0° |
C2 | N3 | C4 | H3 | 180.0° | 179.1° |
C2 | N3 | C4 | O10 | 180.0° | 179.5° |
C2 | N3 | C4 | C8 | 0.0° | 0.6° |
N3 | C2 | N1 | C9 | 0.1° | 0.5° |
N3 | C2 | N11 | H21 | 179.8° | 179.5° |
N3 | C2 | N11 | H22 | 0.2° | 0.5° |
C4 | N3 | C2 | N1 | 0.1° | 0.8° |
N3 | C4 | O10 | C8 | 180.0° | 179.9° |
N3 | C4 | C8 | C9 | 0.2° | 0.0° |
N3 | C4 | C8 | N7 | 180.0° | 179.7° |
C2 | N1 | C9 | C8 | 0.0° | 0.1° |
C2 | N1 | C9 | C5 | 179.9° | 179.9° |
N1 | C2 | N3 | H3 | 179.9° | 179.9° |
N1 | C2 | N11 | H21 | 0.0° | 0.0° |
N1 | C2 | N11 | H22 | 180.0° | 180.0° |
O10 | C4 | C8 | C9 | 179.8° | 180.0° |
O10 | C4 | C8 | N7 | 0.0° | 0.2° |
O10 | C4 | N3 | H3 | 0.0° | 0.4° |
C4 | C8 | C9 | N1 | 0.2° | 0.3° |
C4 | C8 | C9 | N7 | 179.8° | 179.8° |
C4 | C8 | C9 | C5 | 180.0° | 179.8° |
C4 | C8 | N7 | C29 | 0.0° | 0.3° |
C4 | C8 | N7 | C6 | 179.8° | 179.7° |
C8 | C4 | N3 | H3 | 180.0° | 179.7° |
N1 | C9 | C8 | C5 | 179.9° | 179.9° |
N1 | C9 | C8 | N7 | 180.0° | 179.9° |
N1 | C9 | C5 | C6 | 180.0° | 180.0° |
N1 | C9 | C5 | H1 | 0.0° | 0.1° |
C9 | C8 | N7 | C29 | 179.8° | 180.0° |
C9 | C8 | N7 | C6 | 0.0° | 0.0° |
C8 | C9 | C5 | C6 | 0.2° | 0.1° |
C8 | C9 | C5 | H1 | 179.8° | 180.0° |
N7 | C8 | C9 | C5 | 0.1° | 0.0° |
C8 | N7 | C29 | C6 | 179.8° | 180.0° |
C8 | N7 | C6 | C5 | 0.1° | 0.0° |
C8 | N7 | C29 | C30 | 138.2° | 85.0° |
C8 | N7 | C6 | H2 | 179.9° | 180.0° |
C8 | N7 | C29 | H11 | 18.2° | 155.0° |
C8 | N7 | C29 | H12 | 101.7° | 35.0° |
C9 | C5 | C6 | N7 | 0.2° | 0.1° |
C9 | C5 | C6 | H1 | 180.0° | 179.9° |
C9 | C5 | C6 | H2 | 179.9° | 180.0° |
C29 | N7 | C6 | C5 | 179.9° | 179.9° |
N7 | C29 | C30 | H11 | 120.0° | 120.0° |
N7 | C29 | C30 | H12 | 120.0° | 120.0° |
N7 | C29 | C30 | C31 | 96.6° | 180.0° |
C29 | N7 | C6 | H2 | 0.1° | 0.0° |
N7 | C29 | H11 | H12 | 119.9° | 120.0° |
N7 | C29 | C30 | H13 | 143.1° | 60.0° |
N7 | C29 | C30 | H14 | 23.7° | 60.0° |
N7 | C6 | C5 | H2 | 180.0° | 179.9° |
C6 | N7 | C29 | C30 | 42.0° | 95.0° |
N7 | C6 | C5 | H1 | 179.8° | 180.0° |
C6 | N7 | C29 | H11 | 162.0° | 25.0° |
C6 | N7 | C29 | H12 | 78.0° | 145.0° |
C29 | C30 | C31 | H13 | 120.4° | 120.0° |
C29 | C30 | C31 | H14 | 120.4° | 119.9° |
C29 | C30 | C31 | C32 | 172.7° | 180.0° |
C30 | C29 | H11 | H12 | 119.9° | 120.0° |
C29 | C30 | H13 | H14 | 118.9° | 120.0° |
C29 | C30 | C31 | H15 | 52.6° | 60.0° |
C29 | C30 | C31 | H16 | 67.2° | 60.0° |
C30 | C31 | C32 | H15 | 120.1° | 120.0° |
C30 | C31 | C32 | H16 | 120.1° | 120.0° |
C30 | C31 | C32 | C33 | 141.6° | 180.0° |
C31 | C30 | C29 | H11 | 23.4° | 60.0° |
C31 | C30 | C29 | H12 | 143.4° | 60.0° |
C31 | C30 | H13 | H14 | 118.9° | 120.0° |
C30 | C31 | H15 | H16 | 119.8° | 120.0° |
C30 | C31 | C32 | H17 | 98.1° | 60.0° |
C30 | C31 | C32 | H18 | 21.3° | 60.0° |
C31 | C32 | C33 | H17 | 120.3° | 120.0° |
C31 | C32 | C33 | H18 | 120.3° | 120.0° |
C31 | C32 | C33 | C16 | 88.7° | 180.0° |
C32 | C31 | C30 | H13 | 67.0° | 60.0° |
C32 | C31 | C30 | H14 | 52.3° | 60.1° |
C32 | C31 | H15 | H16 | 119.8° | 120.0° |
C31 | C32 | H17 | H18 | 119.1° | 120.0° |
C31 | C32 | C33 | H19 | 31.8° | 60.0° |
C31 | C32 | C33 | H20 | 150.8° | 60.0° |
C32 | C33 | C16 | C15 | 0.8° | 90.0° |
C32 | C33 | C16 | H19 | 120.5° | 120.0° |
C32 | C33 | C16 | H20 | 120.5° | 120.0° |
C32 | C33 | C16 | S12 | 178.4° | 90.0° |
C33 | C32 | C31 | H15 | 21.6° | 60.0° |
C33 | C32 | C31 | H16 | 98.3° | 60.0° |
C33 | C32 | H17 | H18 | 119.1° | 120.0° |
C32 | C33 | H19 | H20 | 118.4° | 120.0° |
C14 | C15 | C16 | H5 | 180.0° | 179.9° |
C14 | C15 | C16 | C33 | 179.9° | 180.0° |
C15 | C14 | C13 | H4 | 180.0° | 180.0° |
C14 | C15 | C16 | S12 | 0.7° | 0.0° |
C15 | C14 | C13 | S12 | 0.2° | 0.0° |
C15 | C14 | C13 | C17 | 179.2° | 179.7° |
C15 | C16 | C33 | S12 | 179.3° | 179.9° |
C16 | C15 | C14 | C13 | 0.7° | 0.0° |
C15 | C16 | S12 | C13 | 0.5° | 0.0° |
C16 | C15 | C14 | H4 | 179.3° | 180.0° |
C15 | C16 | C33 | H19 | 121.3° | 150.0° |
C15 | C16 | C33 | H20 | 119.7° | 30.0° |
C33 | C16 | S12 | C13 | 179.9° | 179.9° |
C33 | C16 | C15 | H5 | 0.1° | 0.1° |
C16 | C33 | C32 | H17 | 151.0° | 60.0° |
C16 | C33 | C32 | H18 | 31.6° | 60.0° |
C16 | C33 | H19 | H20 | 118.4° | 120.0° |
O28 | C26 | O27 | C20 | 179.0° | 180.0° |
O28 | C26 | C20 | N19 | 22.5° | 0.0° |
O28 | C26 | C20 | C21 | 98.4° | 120.0° |
O28 | C26 | C20 | H6 | 141.5° | 120.1° |
O28 | C26 | O27 | H25 | 0.0° | 0.1° |
C14 | C13 | S12 | C16 | 0.2° | 0.0° |
C14 | C13 | S12 | C17 | 179.5° | 179.7° |
C14 | C13 | C17 | N19 | 0.6° | 179.7° |
C14 | C13 | C17 | O18 | 179.0° | 0.3° |
C13 | C14 | C15 | H5 | 179.4° | 180.0° |
C16 | S12 | C13 | C17 | 179.7° | 179.7° |
S12 | C16 | C15 | H5 | 179.3° | 180.0° |
S12 | C16 | C33 | H19 | 57.9° | 30.0° |
S12 | C16 | C33 | H20 | 61.0° | 150.0° |
S12 | C13 | C17 | N19 | 180.0° | 0.0° |
S12 | C13 | C17 | O18 | 0.4° | 180.0° |
S12 | C13 | C14 | H4 | 179.8° | 180.0° |
C13 | C17 | N19 | O18 | 179.6° | 180.0° |
C13 | C17 | N19 | C20 | 179.7° | 180.0° |
C17 | C13 | C14 | H4 | 0.8° | 0.2° |
C13 | C17 | N19 | H23 | 0.3° | 0.0° |
O27 | C26 | C20 | N19 | 156.5° | 180.0° |
O27 | C26 | C20 | C21 | 82.6° | 59.9° |
O27 | C26 | C20 | H6 | 37.5° | 60.0° |
C26 | C20 | N19 | C17 | 120.5° | 85.0° |
C26 | C20 | N19 | C21 | 122.7° | 120.0° |
C26 | C20 | N19 | H6 | 118.5° | 120.1° |
C26 | C20 | C21 | H6 | 120.1° | 120.0° |
C26 | C20 | C21 | C22 | 160.3° | 175.0° |
C26 | C20 | C21 | H7 | 79.8° | 65.0° |
C26 | C20 | C21 | H8 | 40.4° | 55.0° |
C26 | C20 | N19 | H23 | 59.5° | 95.0° |
C20 | C26 | O27 | H25 | 178.9° | 180.0° |
C17 | N19 | C20 | H23 | 180.0° | 180.0° |
C17 | N19 | C20 | C21 | 116.9° | 155.0° |
C17 | N19 | C20 | H6 | 2.0° | 35.0° |
C20 | N19 | C17 | O18 | 0.2° | 0.0° |
N19 | C20 | C21 | H6 | 119.5° | 120.0° |
N19 | C20 | C21 | C22 | 79.2° | 65.0° |
N19 | C20 | C21 | H7 | 40.7° | 55.0° |
N19 | C20 | C21 | H8 | 160.9° | 175.0° |
O18 | C17 | N19 | H23 | 179.8° | 180.0° |
C20 | C21 | C22 | H7 | 119.9° | 119.9° |
C20 | C21 | C22 | H8 | 119.9° | 120.0° |
C20 | C21 | C22 | C23 | 171.9° | 180.0° |
C20 | C21 | H7 | H8 | 120.2° | 120.0° |
C20 | C21 | C22 | H9 | 67.3° | 60.0° |
C20 | C21 | C22 | H10 | 51.2° | 60.0° |
C21 | C20 | N19 | H23 | 63.1° | 25.0° |
C21 | C22 | C23 | H9 | 120.7° | 120.0° |
C21 | C22 | C23 | H10 | 120.7° | 120.0° |
C21 | C22 | C23 | O25 | 59.0° | 0.0° |
C21 | C22 | C23 | O24 | 121.6° | 180.0° |
C22 | C21 | C20 | H6 | 40.3° | 55.0° |
C22 | C21 | H7 | H8 | 120.1° | 120.0° |
C21 | C22 | H9 | H10 | 117.7° | 120.1° |
C22 | C23 | O25 | O24 | 179.4° | 180.0° |
C23 | C22 | C21 | H7 | 52.0° | 60.1° |
C23 | C22 | C21 | H8 | 68.1° | 60.0° |
C23 | C22 | H9 | H10 | 117.8° | 120.0° |
C22 | C23 | O24 | H24 | 179.4° | 180.0° |
O25 | C23 | C22 | H9 | 179.7° | 120.0° |
O25 | C23 | C22 | H10 | 61.7° | 120.0° |
O25 | C23 | O24 | H24 | 0.0° | 0.1° |
O24 | C23 | C22 | H9 | 0.9° | 60.0° |
O24 | C23 | C22 | H10 | 117.7° | 60.0° |
H1 | C5 | C6 | H2 | 0.2° | 0.1° |
H4 | C14 | C15 | H5 | 0.6° | 0.0° |
H6 | C20 | C21 | H7 | 160.2° | 175.0° |
H6 | C20 | C21 | H8 | 79.7° | 65.0° |
H6 | C20 | N19 | H23 | 178.0° | 144.9° |
H7 | C21 | C22 | H9 | 172.7° | 180.0° |
H7 | C21 | C22 | H10 | 68.8° | 59.9° |
H8 | C21 | C22 | H9 | 52.6° | 60.0° |
H8 | C21 | C22 | H10 | 171.1° | 180.0° |
H11 | C29 | C30 | H13 | 96.9° | 180.0° |
H11 | C29 | C30 | H14 | 143.8° | 60.0° |
H12 | C29 | C30 | H13 | 23.0° | 60.0° |
H12 | C29 | C30 | H14 | 96.3° | 180.0° |
H13 | C30 | C31 | H15 | 173.0° | 180.0° |
H13 | C30 | C31 | H16 | 53.1° | 60.0° |
H14 | C30 | C31 | H15 | 67.8° | 59.9° |
H14 | C30 | C31 | H16 | 172.4° | 180.0° |
H15 | C31 | C32 | H17 | 141.9° | 180.0° |
H15 | C31 | C32 | H18 | 98.7° | 60.0° |
H16 | C31 | C32 | H17 | 22.0° | 60.0° |
H16 | C31 | C32 | H18 | 141.4° | 180.0° |
H17 | C32 | C33 | H19 | 88.5° | 60.0° |
H17 | C32 | C33 | H20 | 30.5° | 180.0° |
H18 | C32 | C33 | H19 | 152.1° | 180.0° |
H18 | C32 | C33 | H20 | 88.9° | 60.0° |