U3V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C12 | doub | 1.21Å | 1.22Å | |
C13 | C12 | sing | 1.50Å | 1.50Å | |
C13 | C14 | sing | 1.53Å | 1.51Å | |
C12 | N4 | sing | 1.33Å | 1.39Å | |
N4 | C11 | sing | 1.46Å | 1.46Å | |
C14 | C15 | sing | 1.53Å | 1.50Å | |
C15 | C11 | sing | 1.53Å | 1.51Å | |
C11 | C10 | sing | 1.51Å | 1.52Å | |
O2 | C10 | doub | 1.21Å | 1.21Å | |
C10 | N2 | sing | 1.35Å | 1.37Å | |
N2 | C7 | sing | 1.46Å | 1.45Å | |
O1 | C8 | doub | 1.21Å | 1.22Å | |
C8 | C7 | sing | 1.51Å | 1.52Å | |
C8 | N3 | sing | 1.35Å | 1.38Å | |
C7 | C6 | sing | 1.53Å | 1.52Å | |
C9 | N3 | sing | 1.47Å | 1.44Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
C5 | C3 | sing | 1.53Å | 1.51Å | |
C4 | C2 | sing | 1.53Å | 1.52Å | |
C3 | C1 | sing | 1.53Å | 1.51Å | |
C2 | N1 | sing | 1.47Å | 1.45Å | |
C1 | N1 | sing | 1.47Å | 1.46Å | |
N1 | C16 | sing | 1.35Å | 1.39Å | |
C22 | C20 | sing | 1.53Å | 1.52Å | |
C19 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
C16 | C17 | sing | 1.47Å | 1.43Å | |
C16 | O4 | doub | 1.22Å | 1.22Å | |
C17 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
C20 | C21 | sing | 1.53Å | 1.51Å | |
C20 | C18 | sing | 1.51Å | 1.48Å | |
C20 | C23 | sing | 1.53Å | 1.52Å | |
C18 | N6 | doub | 1.31Å | 1.34Å | Aromatic |
N5 | N6 | sing | 1.28Å | 1.34Å | Aromatic |
N5 | C24 | sing | 1.47Å | 1.45Å | |
C19 | H26 | sing | 1.08Å | 1.08Å | |
C13 | H21 | sing | 1.09Å | 1.10Å | |
C13 | H20 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.09Å | 1.10Å | |
C14 | H22 | sing | 1.09Å | 1.10Å | |
C15 | H25 | sing | 1.09Å | 1.10Å | |
C15 | H24 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H18 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C21 | H28 | sing | 1.09Å | 1.10Å | |
C21 | H27 | sing | 1.09Å | 1.10Å | |
C21 | H29 | sing | 1.09Å | 1.10Å | |
C22 | H32 | sing | 1.09Å | 1.10Å | |
C22 | H31 | sing | 1.09Å | 1.10Å | |
C22 | H30 | sing | 1.09Å | 1.10Å | |
C23 | H33 | sing | 1.09Å | 1.10Å | |
C23 | H35 | sing | 1.09Å | 1.10Å | |
C23 | H34 | sing | 1.09Å | 1.10Å | |
C24 | H36 | sing | 1.09Å | 1.10Å | |
C24 | H38 | sing | 1.09Å | 1.10Å | |
C24 | H37 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H15 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
N4 | H19 | sing | 0.97Å | 1.00Å | |
N2 | H13 | sing | 0.97Å | 1.00Å | |
N3 | H14 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C12 | C13 | 119.1° | 118.3° |
O3 | C12 | N4 | 123.7° | 118.3° |
C12 | C13 | C14 | 113.7° | 109.9° |
C13 | C12 | N4 | 117.1° | 123.5° |
C12 | C13 | H21 | 108.4° | 109.4° |
C12 | C13 | H20 | 108.4° | 109.4° |
C13 | C14 | C15 | 109.5° | 108.4° |
C14 | C13 | H21 | 108.4° | 109.4° |
C14 | C13 | H20 | 108.4° | 109.4° |
C13 | C14 | H23 | 109.4° | 109.7° |
C13 | C14 | H22 | 109.5° | 109.7° |
C12 | N4 | C11 | 125.9° | 124.1° |
C12 | N4 | H19 | 117.0° | 117.9° |
N4 | C11 | C15 | 112.7° | 110.5° |
N4 | C11 | C10 | 107.6° | 109.3° |
N4 | C11 | H18 | 109.2° | 109.2° |
C11 | N4 | H19 | 117.1° | 117.9° |
C14 | C15 | C11 | 109.7° | 108.7° |
C15 | C14 | H23 | 109.5° | 109.6° |
C15 | C14 | H22 | 109.4° | 109.7° |
C14 | C15 | H25 | 109.4° | 109.6° |
C14 | C15 | H24 | 109.4° | 109.6° |
C15 | C11 | C10 | 110.1° | 109.3° |
C11 | C15 | H25 | 109.4° | 109.6° |
C11 | C15 | H24 | 109.4° | 109.6° |
C15 | C11 | H18 | 108.6° | 109.3° |
C11 | C10 | O2 | 122.6° | 120.0° |
C11 | C10 | N2 | 115.1° | 120.0° |
C10 | C11 | H18 | 108.5° | 109.3° |
O2 | C10 | N2 | 122.3° | 120.0° |
C10 | N2 | C7 | 122.5° | 120.0° |
C10 | N2 | H13 | 118.8° | 120.1° |
N2 | C7 | C8 | 109.6° | 109.5° |
N2 | C7 | C6 | 107.3° | 109.4° |
N2 | C7 | H12 | 110.5° | 109.5° |
C7 | N2 | H13 | 118.7° | 120.0° |
O1 | C8 | C7 | 123.9° | 120.0° |
O1 | C8 | N3 | 123.0° | 120.0° |
C7 | C8 | N3 | 113.1° | 120.0° |
C8 | C7 | C6 | 110.5° | 109.4° |
C8 | C7 | H12 | 109.4° | 109.5° |
C8 | N3 | C9 | 118.6° | 120.0° |
C8 | N3 | H14 | 120.7° | 119.9° |
C7 | C6 | C5 | 114.2° | 109.5° |
C7 | C6 | H11 | 108.3° | 109.4° |
C7 | C6 | H10 | 108.3° | 109.5° |
C6 | C7 | H12 | 109.5° | 109.5° |
N3 | C9 | H16 | 109.5° | 109.4° |
N3 | C9 | H17 | 109.5° | 109.4° |
N3 | C9 | H15 | 109.5° | 109.5° |
C9 | N3 | H14 | 120.7° | 120.1° |
C6 | C5 | C4 | 110.9° | 109.5° |
C6 | C5 | C3 | 107.6° | 109.5° |
C6 | C5 | H9 | 109.5° | 109.4° |
C5 | C6 | H11 | 108.3° | 109.4° |
C5 | C6 | H10 | 108.3° | 109.5° |
C4 | C5 | C3 | 109.5° | 109.5° |
C5 | C4 | C2 | 109.9° | 109.3° |
C5 | C4 | H7 | 109.4° | 109.5° |
C5 | C4 | H8 | 109.3° | 109.5° |
C4 | C5 | H9 | 109.6° | 109.5° |
C5 | C3 | C1 | 110.3° | 109.3° |
C5 | C3 | H5 | 109.2° | 109.6° |
C5 | C3 | H6 | 109.3° | 109.6° |
C3 | C5 | H9 | 109.7° | 109.5° |
C4 | C2 | N1 | 110.8° | 108.8° |
C2 | C4 | H7 | 109.4° | 109.5° |
C2 | C4 | H8 | 109.3° | 109.5° |
C4 | C2 | H4 | 109.2° | 109.6° |
C4 | C2 | H3 | 109.1° | 109.6° |
C3 | C1 | N1 | 111.2° | 108.7° |
C1 | C3 | H5 | 109.3° | 109.4° |
C1 | C3 | H6 | 109.2° | 109.5° |
C3 | C1 | H2 | 109.0° | 109.6° |
C3 | C1 | H1 | 109.0° | 109.6° |
C2 | N1 | C1 | 111.2° | 118.8° |
C2 | N1 | C16 | 126.1° | 120.6° |
N1 | C2 | H4 | 109.1° | 109.6° |
N1 | C2 | H3 | 109.2° | 109.6° |
C1 | N1 | C16 | 119.7° | 120.6° |
N1 | C1 | H2 | 109.0° | 109.5° |
N1 | C1 | H1 | 109.0° | 109.6° |
N1 | C16 | C17 | 121.0° | 120.0° |
N1 | C16 | O4 | 122.2° | 120.0° |
C22 | C20 | C21 | 108.5° | 109.4° |
C22 | C20 | C18 | 111.6° | 109.5° |
C22 | C20 | C23 | 108.5° | 109.5° |
C20 | C22 | H32 | 109.5° | 109.5° |
C20 | C22 | H31 | 109.5° | 109.4° |
C20 | C22 | H30 | 109.5° | 109.5° |
C17 | C19 | C18 | 105.6° | 105.3° |
C19 | C17 | C16 | 131.0° | 126.8° |
C19 | C17 | N5 | 104.5° | 106.3° |
C17 | C19 | H26 | 127.2° | 127.3° |
C19 | C18 | C20 | 127.1° | 126.1° |
C19 | C18 | N6 | 111.4° | 107.9° |
C18 | C19 | H26 | 127.2° | 127.3° |
C17 | C16 | O4 | 116.7° | 120.0° |
C16 | C17 | N5 | 124.4° | 126.9° |
C17 | N5 | N6 | 114.9° | 109.6° |
C17 | N5 | C24 | 126.0° | 125.1° |
C21 | C20 | C18 | 106.6° | 109.4° |
C21 | C20 | C23 | 108.5° | 109.5° |
C20 | C21 | H28 | 109.5° | 109.5° |
C20 | C21 | H27 | 109.5° | 109.5° |
C20 | C21 | H29 | 109.5° | 109.5° |
C18 | C20 | C23 | 113.1° | 109.5° |
C20 | C18 | N6 | 121.4° | 126.0° |
C20 | C23 | H33 | 109.5° | 109.4° |
C20 | C23 | H35 | 109.5° | 109.5° |
C20 | C23 | H34 | 109.5° | 109.5° |
C18 | N6 | N5 | 103.6° | 111.0° |
N6 | N5 | C24 | 119.1° | 125.2° |
N5 | C24 | H36 | 109.5° | 109.4° |
N5 | C24 | H38 | 109.5° | 109.4° |
N5 | C24 | H37 | 109.5° | 109.5° |
H21 | C13 | H20 | 109.5° | 109.3° |
H23 | C14 | H22 | 109.4° | 109.7° |
H25 | C15 | H24 | 109.5° | 109.7° |
H5 | C3 | H6 | 109.5° | 109.5° |
H7 | C4 | H8 | 109.5° | 109.4° |
H2 | C1 | H1 | 109.5° | 109.8° |
H4 | C2 | H3 | 109.5° | 109.7° |
H28 | C21 | H27 | 109.4° | 109.4° |
H28 | C21 | H29 | 109.5° | 109.5° |
H27 | C21 | H29 | 109.5° | 109.5° |
H32 | C22 | H31 | 109.5° | 109.5° |
H32 | C22 | H30 | 109.5° | 109.4° |
H31 | C22 | H30 | 109.5° | 109.5° |
H33 | C23 | H35 | 109.4° | 109.5° |
H33 | C23 | H34 | 109.5° | 109.5° |
H35 | C23 | H34 | 109.5° | 109.4° |
H36 | C24 | H38 | 109.4° | 109.4° |
H36 | C24 | H37 | 109.5° | 109.5° |
H38 | C24 | H37 | 109.5° | 109.5° |
H16 | C9 | H17 | 109.5° | 109.5° |
H16 | C9 | H15 | 109.5° | 109.5° |
H17 | C9 | H15 | 109.4° | 109.5° |
H11 | C6 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C12 | C13 | N4 | 179.2° | 179.7° |
O3 | C12 | C13 | C14 | 165.0° | 162.7° |
O3 | C12 | N4 | C11 | 173.6° | 178.0° |
O3 | C12 | C13 | H21 | 74.4° | 42.5° |
O3 | C12 | C13 | H20 | 44.3° | 77.2° |
O3 | C12 | N4 | H19 | 6.4° | 2.0° |
C12 | C13 | C14 | H21 | 120.6° | 120.1° |
C12 | C13 | C14 | H20 | 120.7° | 120.1° |
C13 | C12 | N4 | C11 | 5.6° | 2.2° |
C12 | C13 | C14 | C15 | 50.4° | 48.9° |
C12 | C13 | H21 | H20 | 118.1° | 119.8° |
C12 | C13 | C14 | H23 | 170.5° | 70.8° |
C12 | C13 | C14 | H22 | 69.6° | 168.6° |
C13 | C12 | N4 | H19 | 174.4° | 177.8° |
C14 | C13 | C12 | N4 | 15.8° | 17.6° |
C13 | C14 | C15 | H23 | 120.0° | 119.7° |
C13 | C14 | C15 | H22 | 120.0° | 119.7° |
C13 | C14 | C15 | C11 | 64.5° | 67.5° |
C14 | C13 | H21 | H20 | 118.1° | 119.8° |
C13 | C14 | H23 | H22 | 120.0° | 120.5° |
C13 | C14 | C15 | H25 | 55.5° | 172.7° |
C13 | C14 | C15 | H24 | 175.4° | 52.2° |
C12 | N4 | C11 | H19 | 180.0° | 180.0° |
C12 | N4 | C11 | C15 | 8.7° | 19.1° |
C12 | N4 | C11 | C10 | 112.9° | 139.4° |
N4 | C12 | C13 | H21 | 104.8° | 137.7° |
N4 | C12 | C13 | H20 | 136.5° | 102.6° |
C12 | N4 | C11 | H18 | 129.5° | 101.1° |
N4 | C11 | C15 | C14 | 43.3° | 50.8° |
N4 | C11 | C15 | C10 | 120.1° | 120.3° |
N4 | C11 | C15 | H18 | 121.2° | 120.1° |
N4 | C11 | C10 | H18 | 118.0° | 119.4° |
N4 | C11 | C10 | O2 | 11.7° | 21.0° |
N4 | C11 | C10 | N2 | 168.8° | 159.0° |
N4 | C11 | C15 | H25 | 76.8° | 170.6° |
N4 | C11 | C15 | H24 | 163.3° | 69.0° |
C14 | C15 | C11 | H25 | 120.0° | 119.8° |
C14 | C15 | C11 | H24 | 120.1° | 119.8° |
C14 | C15 | C11 | C10 | 76.9° | 171.1° |
C15 | C14 | C13 | H21 | 70.2° | 169.0° |
C15 | C14 | C13 | H20 | 171.1° | 71.3° |
C15 | C14 | H23 | H22 | 120.0° | 120.5° |
C14 | C15 | H25 | H24 | 119.9° | 120.4° |
C14 | C15 | C11 | H18 | 164.4° | 69.3° |
C15 | C11 | C10 | H18 | 118.8° | 119.6° |
C15 | C11 | C10 | O2 | 111.5° | 100.0° |
C15 | C11 | C10 | N2 | 68.0° | 80.0° |
C11 | C15 | C14 | H23 | 175.5° | 52.2° |
C11 | C15 | C14 | H22 | 55.5° | 172.8° |
C11 | C15 | H25 | H24 | 119.9° | 120.4° |
C15 | C11 | N4 | H19 | 171.3° | 160.9° |
C11 | C10 | O2 | N2 | 179.4° | 180.0° |
C11 | C10 | N2 | C7 | 174.3° | 180.0° |
C10 | C11 | C15 | H25 | 163.1° | 69.2° |
C10 | C11 | C15 | H24 | 43.2° | 51.3° |
C10 | C11 | N4 | H19 | 67.1° | 40.6° |
C11 | C10 | N2 | H13 | 5.7° | 0.0° |
O2 | C10 | N2 | C7 | 5.2° | 0.0° |
O2 | C10 | C11 | H18 | 129.7° | 140.4° |
O2 | C10 | N2 | H13 | 174.8° | 180.0° |
C10 | N2 | C7 | H13 | 180.0° | 180.0° |
C10 | N2 | C7 | C8 | 52.9° | 85.0° |
C10 | N2 | C7 | C6 | 173.0° | 155.0° |
N2 | C10 | C11 | H18 | 50.8° | 39.6° |
C10 | N2 | C7 | H12 | 67.7° | 35.0° |
N2 | C7 | C8 | O1 | 44.6° | 0.0° |
N2 | C7 | C8 | C6 | 118.1° | 120.0° |
N2 | C7 | C8 | H12 | 121.3° | 120.1° |
N2 | C7 | C8 | N3 | 136.1° | 180.0° |
N2 | C7 | C6 | H12 | 119.9° | 120.0° |
N2 | C7 | C6 | C5 | 171.8° | 65.0° |
N2 | C7 | C6 | H11 | 67.5° | 175.0° |
N2 | C7 | C6 | H10 | 51.1° | 55.0° |
O1 | C8 | C7 | N3 | 179.4° | 180.0° |
O1 | C8 | C7 | C6 | 73.5° | 120.0° |
O1 | C8 | N3 | C9 | 3.1° | 0.0° |
O1 | C8 | C7 | H12 | 165.9° | 120.0° |
O1 | C8 | N3 | H14 | 176.9° | 180.0° |
C8 | C7 | C6 | H12 | 120.6° | 120.0° |
C7 | C8 | N3 | C9 | 176.3° | 180.0° |
C8 | C7 | C6 | C5 | 52.3° | 175.0° |
C8 | C7 | C6 | H11 | 173.0° | 55.0° |
C8 | C7 | C6 | H10 | 68.4° | 65.0° |
C8 | C7 | N2 | H13 | 127.1° | 95.0° |
C7 | C8 | N3 | H14 | 3.7° | 0.0° |
N3 | C8 | C7 | C6 | 105.9° | 60.0° |
C8 | N3 | C9 | H14 | 180.0° | 180.0° |
C8 | N3 | C9 | H16 | 180.0° | 180.0° |
C8 | N3 | C9 | H17 | 60.0° | 60.0° |
C8 | N3 | C9 | H15 | 60.0° | 60.0° |
N3 | C8 | C7 | H12 | 14.8° | 59.9° |
C7 | C6 | C5 | H11 | 120.7° | 119.9° |
C7 | C6 | C5 | H10 | 120.7° | 120.1° |
C7 | C6 | C5 | C4 | 73.8° | 175.0° |
C7 | C6 | C5 | C3 | 166.4° | 64.9° |
C7 | C6 | C5 | H9 | 47.3° | 55.1° |
C7 | C6 | H11 | H10 | 117.9° | 120.0° |
C6 | C7 | N2 | H13 | 7.0° | 25.0° |
N3 | C9 | H16 | H17 | 120.0° | 119.9° |
N3 | C9 | H16 | H15 | 120.0° | 120.0° |
N3 | C9 | H17 | H15 | 120.0° | 120.0° |
C6 | C5 | C4 | C3 | 118.6° | 120.1° |
C6 | C5 | C4 | H9 | 121.1° | 119.9° |
C6 | C5 | C3 | H9 | 119.0° | 119.9° |
C6 | C5 | C4 | C2 | 175.0° | 178.6° |
C6 | C5 | C3 | C1 | 176.2° | 178.6° |
C6 | C5 | C3 | H5 | 56.1° | 58.6° |
C6 | C5 | C3 | H6 | 63.7° | 61.5° |
C6 | C5 | C4 | H7 | 64.9° | 61.4° |
C6 | C5 | C4 | H8 | 54.9° | 58.6° |
C5 | C6 | H11 | H10 | 117.8° | 120.0° |
C5 | C6 | C7 | H12 | 68.3° | 55.0° |
C4 | C5 | C3 | H9 | 120.4° | 120.0° |
C5 | C4 | C2 | H7 | 120.1° | 120.0° |
C5 | C4 | C2 | H8 | 120.1° | 120.0° |
C4 | C5 | C3 | C1 | 55.6° | 61.4° |
C5 | C4 | C2 | N1 | 58.4° | 54.6° |
C4 | C5 | C3 | H5 | 64.5° | 178.7° |
C4 | C5 | C3 | H6 | 175.7° | 58.6° |
C5 | C4 | H7 | H8 | 119.8° | 120.0° |
C5 | C4 | C2 | H4 | 61.8° | 65.2° |
C5 | C4 | C2 | H3 | 178.6° | 174.4° |
C4 | C5 | C6 | H11 | 46.9° | 65.1° |
C4 | C5 | C6 | H10 | 165.5° | 55.0° |
C3 | C5 | C4 | C2 | 56.4° | 61.4° |
C5 | C3 | C1 | H5 | 120.1° | 120.0° |
C5 | C3 | C1 | H6 | 120.1° | 120.0° |
C5 | C3 | C1 | N1 | 56.5° | 54.6° |
C5 | C3 | H5 | H6 | 119.6° | 120.2° |
C3 | C5 | C4 | H7 | 176.5° | 58.6° |
C3 | C5 | C4 | H8 | 63.6° | 178.6° |
C5 | C3 | C1 | H2 | 176.8° | 174.4° |
C5 | C3 | C1 | H1 | 63.7° | 65.1° |
C3 | C5 | C6 | H11 | 72.9° | 55.0° |
C3 | C5 | C6 | H10 | 45.7° | 175.1° |
C4 | C2 | N1 | H4 | 120.2° | 119.8° |
C4 | C2 | N1 | H3 | 120.2° | 119.8° |
C4 | C2 | N1 | C1 | 59.1° | 53.6° |
C4 | C2 | N1 | C16 | 100.8° | 126.4° |
C2 | C4 | H7 | H8 | 119.8° | 120.1° |
C4 | C2 | H4 | H3 | 119.4° | 120.3° |
C2 | C4 | C5 | H9 | 64.0° | 58.7° |
C3 | C1 | N1 | C2 | 58.3° | 53.6° |
C3 | C1 | N1 | H2 | 120.3° | 119.8° |
C3 | C1 | N1 | H1 | 120.3° | 119.8° |
C3 | C1 | N1 | C16 | 103.1° | 126.4° |
C1 | C3 | H5 | H6 | 119.6° | 120.0° |
C3 | C1 | H2 | H1 | 119.2° | 120.4° |
C1 | C3 | C5 | H9 | 64.8° | 58.7° |
C2 | N1 | C1 | C16 | 161.4° | 180.0° |
C2 | N1 | C16 | C17 | 3.2° | 0.5° |
C2 | N1 | C16 | O4 | 174.5° | 179.5° |
N1 | C2 | C4 | H7 | 178.4° | 65.4° |
N1 | C2 | C4 | H8 | 61.7° | 174.6° |
C2 | N1 | C1 | H2 | 178.6° | 173.4° |
C2 | N1 | C1 | H1 | 62.0° | 66.2° |
N1 | C2 | H4 | H3 | 119.4° | 120.4° |
C1 | N1 | C16 | C17 | 161.6° | 179.5° |
C1 | N1 | C16 | O4 | 16.1° | 0.5° |
N1 | C1 | C3 | H5 | 63.6° | 174.6° |
N1 | C1 | C3 | H6 | 176.7° | 65.4° |
N1 | C1 | H2 | H1 | 119.2° | 120.3° |
C1 | N1 | C2 | H4 | 61.1° | 66.2° |
C1 | N1 | C2 | H3 | 179.3° | 173.4° |
N1 | C16 | C17 | C19 | 55.4° | 25.5° |
N1 | C16 | C17 | O4 | 177.8° | 180.0° |
N1 | C16 | C17 | N5 | 128.5° | 154.5° |
C16 | N1 | C1 | H2 | 17.2° | 6.6° |
C16 | N1 | C1 | H1 | 136.7° | 113.8° |
C16 | N1 | C2 | H4 | 139.0° | 113.8° |
C16 | N1 | C2 | H3 | 19.4° | 6.6° |
C22 | C20 | C18 | C19 | 32.9° | 74.9° |
C22 | C20 | C21 | C18 | 120.3° | 120.0° |
C22 | C20 | C21 | C23 | 117.7° | 120.0° |
C22 | C20 | C18 | C23 | 122.6° | 120.1° |
C22 | C20 | C18 | N6 | 150.7° | 105.0° |
C22 | C20 | C21 | H28 | 180.0° | 60.0° |
C22 | C20 | C21 | H27 | 60.0° | 180.0° |
C22 | C20 | C21 | H29 | 60.0° | 60.0° |
C20 | C22 | H32 | H31 | 120.0° | 119.9° |
C20 | C22 | H32 | H30 | 120.0° | 120.0° |
C20 | C22 | H31 | H30 | 120.0° | 120.0° |
C22 | C20 | C23 | H33 | 180.0° | 60.0° |
C22 | C20 | C23 | H35 | 60.0° | 180.0° |
C22 | C20 | C23 | H34 | 60.0° | 59.9° |
C17 | C19 | C18 | H26 | 180.0° | 179.7° |
C19 | C17 | C16 | N5 | 176.1° | 180.0° |
C19 | C17 | C16 | O4 | 122.4° | 154.5° |
C17 | C19 | C18 | C20 | 178.6° | 180.0° |
C17 | C19 | C18 | N6 | 1.9° | 0.0° |
C19 | C17 | N5 | N6 | 0.0° | 0.0° |
C19 | C17 | N5 | C24 | 179.3° | 180.0° |
C18 | C19 | C17 | C16 | 177.8° | 180.0° |
C18 | C19 | C17 | N5 | 1.1° | 0.0° |
C19 | C18 | C20 | C21 | 85.3° | 45.0° |
C19 | C18 | C20 | N6 | 176.4° | 179.9° |
C19 | C18 | C20 | C23 | 155.5° | 165.0° |
C19 | C18 | N6 | N5 | 1.9° | 0.0° |
C16 | C17 | N5 | N6 | 176.9° | 180.0° |
C16 | C17 | N5 | C24 | 2.4° | 0.0° |
C16 | C17 | C19 | H26 | 2.3° | 0.2° |
O4 | C16 | C17 | N5 | 53.7° | 25.5° |
C17 | N5 | N6 | C18 | 1.2° | 0.0° |
C17 | N5 | N6 | C24 | 179.4° | 180.0° |
N5 | C17 | C19 | H26 | 178.9° | 179.8° |
C17 | N5 | C24 | H36 | 179.3° | 84.6° |
C17 | N5 | C24 | H38 | 59.3° | 155.5° |
C17 | N5 | C24 | H37 | 60.7° | 35.5° |
C21 | C20 | C18 | C23 | 119.1° | 120.0° |
C21 | C20 | C18 | N6 | 91.1° | 135.1° |
C20 | C21 | H28 | H27 | 120.0° | 120.0° |
C20 | C21 | H28 | H29 | 120.0° | 120.1° |
C20 | C21 | H27 | H29 | 120.0° | 120.0° |
C21 | C20 | C22 | H32 | 180.0° | 60.0° |
C21 | C20 | C22 | H31 | 60.0° | 180.0° |
C21 | C20 | C22 | H30 | 60.0° | 60.0° |
C21 | C20 | C23 | H33 | 62.3° | 180.0° |
C21 | C20 | C23 | H35 | 177.7° | 60.0° |
C21 | C20 | C23 | H34 | 57.7° | 60.0° |
C20 | C18 | N6 | N5 | 178.8° | 180.0° |
C20 | C18 | C19 | H26 | 1.4° | 0.3° |
C18 | C20 | C21 | H28 | 59.7° | 180.0° |
C18 | C20 | C21 | H27 | 179.7° | 60.0° |
C18 | C20 | C21 | H29 | 60.3° | 60.0° |
C18 | C20 | C22 | H32 | 62.9° | 59.9° |
C18 | C20 | C22 | H31 | 57.1° | 60.0° |
C18 | C20 | C22 | H30 | 177.1° | 179.9° |
C18 | C20 | C23 | H33 | 55.7° | 60.1° |
C18 | C20 | C23 | H35 | 64.3° | 59.9° |
C18 | C20 | C23 | H34 | 175.7° | 180.0° |
C23 | C20 | C18 | N6 | 28.1° | 15.1° |
C23 | C20 | C21 | H28 | 62.3° | 60.0° |
C23 | C20 | C21 | H27 | 57.7° | 60.0° |
C23 | C20 | C21 | H29 | 177.7° | 180.0° |
C23 | C20 | C22 | H32 | 62.3° | 180.0° |
C23 | C20 | C22 | H31 | 177.7° | 60.1° |
C23 | C20 | C22 | H30 | 57.7° | 60.0° |
C20 | C23 | H33 | H35 | 120.0° | 120.1° |
C20 | C23 | H33 | H34 | 120.0° | 120.0° |
C20 | C23 | H35 | H34 | 120.0° | 120.0° |
C18 | N6 | N5 | C24 | 179.5° | 180.0° |
N6 | C18 | C19 | H26 | 178.1° | 179.8° |
N6 | N5 | C24 | H36 | 0.0° | 95.5° |
N6 | N5 | C24 | H38 | 120.0° | 24.4° |
N6 | N5 | C24 | H37 | 120.0° | 144.5° |
N5 | C24 | H36 | H38 | 120.0° | 119.9° |
N5 | C24 | H36 | H37 | 120.0° | 120.1° |
N5 | C24 | H38 | H37 | 120.0° | 120.0° |
H21 | C13 | C14 | H23 | 49.9° | 49.3° |
H21 | C13 | C14 | H22 | 169.8° | 71.3° |
H20 | C13 | C14 | H23 | 68.9° | 169.0° |
H20 | C13 | C14 | H22 | 51.1° | 48.5° |
H23 | C14 | C15 | H25 | 64.5° | 67.6° |
H23 | C14 | C15 | H24 | 55.4° | 172.0° |
H22 | C14 | C15 | H25 | 175.5° | 53.0° |
H22 | C14 | C15 | H24 | 64.6° | 67.5° |
H25 | C15 | C11 | H18 | 44.4° | 50.4° |
H24 | C15 | C11 | H18 | 75.5° | 170.9° |
H5 | C3 | C1 | H2 | 56.7° | 65.6° |
H5 | C3 | C1 | H1 | 176.2° | 54.9° |
H5 | C3 | C5 | H9 | 175.1° | 61.3° |
H6 | C3 | C1 | H2 | 63.1° | 54.4° |
H6 | C3 | C1 | H1 | 56.4° | 174.9° |
H6 | C3 | C5 | H9 | 55.4° | 178.6° |
H7 | C4 | C2 | H4 | 58.2° | 174.8° |
H7 | C4 | C2 | H3 | 61.4° | 54.4° |
H7 | C4 | C5 | H9 | 56.1° | 178.7° |
H8 | C4 | C2 | H4 | 178.1° | 54.8° |
H8 | C4 | C2 | H3 | 58.5° | 65.6° |
H8 | C4 | C5 | H9 | 176.0° | 61.3° |
H18 | C11 | N4 | H19 | 50.5° | 78.9° |
H9 | C5 | C6 | H11 | 168.0° | 175.0° |
H9 | C5 | C6 | H10 | 73.4° | 65.0° |
H28 | C21 | H27 | H29 | 120.0° | 120.0° |
H32 | C22 | H31 | H30 | 120.0° | 120.0° |
H33 | C23 | H35 | H34 | 120.0° | 120.0° |
H36 | C24 | H38 | H37 | 120.0° | 120.1° |
H16 | C9 | H17 | H15 | 120.0° | 120.1° |
H16 | C9 | N3 | H14 | 0.0° | 0.0° |
H17 | C9 | N3 | H14 | 120.1° | 120.0° |
H15 | C9 | N3 | H14 | 120.0° | 120.0° |
H11 | C6 | C7 | H12 | 52.4° | 64.9° |
H10 | C6 | C7 | H12 | 171.0° | 175.1° |
H12 | C7 | N2 | H13 | 112.3° | 145.0° |