63Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C26 | C27 | sing | 1.53Å | 1.53Å | |
C26 | C24 | sing | 1.51Å | 1.51Å | |
C27 | C28 | sing | 1.51Å | 1.52Å | |
C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
C1 | N1 | sing | 1.47Å | 1.44Å | |
C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C32 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
C32 | N5 | doub | 1.31Å | 1.33Å | Aromatic |
C28 | N3 | sing | 1.37Å | 1.39Å | |
C28 | O3 | doub | 1.21Å | 1.23Å | |
N1 | C2 | sing | 1.35Å | 1.39Å | |
C25 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
N3 | C3 | sing | 1.48Å | 1.46Å | |
O2 | C11 | doub | 1.21Å | 1.23Å | |
N5 | N6 | sing | 1.28Å | 1.35Å | Aromatic |
C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
C20 | C16 | sing | 1.48Å | 1.48Å | |
C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
C30 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
C30 | C29 | sing | 1.47Å | 1.46Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C2 | O1 | doub | 1.21Å | 1.23Å | |
C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
N6 | C33 | sing | 1.46Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
N4 | C29 | sing | 1.35Å | 1.39Å | |
N4 | C12 | sing | 1.47Å | 1.46Å | |
C11 | C12 | sing | 1.51Å | 1.53Å | |
C11 | N2 | sing | 1.37Å | 1.39Å | |
C13 | C12 | sing | 1.53Å | 1.54Å | |
C13 | C14 | sing | 1.49Å | 1.51Å | |
C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
C4 | C5 | sing | 1.51Å | 1.51Å | |
C29 | O4 | doub | 1.22Å | 1.23Å | |
C5 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
C14 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C8 | N2 | sing | 1.41Å | 1.41Å | |
C8 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
C19 | CL1 | sing | 1.74Å | 1.73Å | |
C33 | H31 | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C33 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H30 | sing | 1.08Å | 1.08Å | |
N3 | H27 | sing | 0.97Å | 1.00Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
N2 | H12 | sing | 0.97Å | 1.00Å | |
C7 | H9 | sing | 1.08Å | 1.08Å | |
C6 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H14 | sing | 1.09Å | 1.10Å | |
C21 | H19 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C26 | H23 | sing | 1.09Å | 1.10Å | |
C26 | H24 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
N1 | H5 | sing | 0.97Å | 1.00Å | |
C3 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C15 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C22 | H20 | sing | 1.08Å | 1.08Å | |
C23 | H21 | sing | 1.08Å | 1.08Å | |
C25 | H22 | sing | 1.08Å | 1.08Å | |
C27 | H26 | sing | 1.09Å | 1.10Å | |
C27 | H25 | sing | 1.09Å | 1.10Å | |
N4 | H28 | sing | 0.97Å | 1.00Å | |
C31 | H29 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C27 | C26 | C24 | 114.8° | 109.4° |
C26 | C27 | C28 | 112.1° | 110.1° |
C27 | C26 | H23 | 108.1° | 109.5° |
C27 | C26 | H24 | 108.1° | 109.5° |
C26 | C27 | H26 | 108.8° | 109.4° |
C26 | C27 | H25 | 108.8° | 109.4° |
C26 | C24 | C23 | 121.2° | 119.8° |
C26 | C24 | C25 | 120.0° | 120.2° |
C24 | C26 | H23 | 108.1° | 109.5° |
C24 | C26 | H24 | 108.1° | 109.5° |
C27 | C28 | N3 | 112.4° | 118.5° |
C27 | C28 | O3 | 121.9° | 120.7° |
C28 | C27 | H26 | 108.8° | 109.4° |
C28 | C27 | H25 | 108.8° | 109.3° |
C24 | C23 | C22 | 120.3° | 120.4° |
C23 | C24 | C25 | 118.7° | 120.1° |
C24 | C23 | H21 | 119.8° | 119.8° |
C23 | C22 | C21 | 120.2° | 120.1° |
C23 | C22 | H20 | 119.9° | 120.0° |
C22 | C23 | H21 | 119.8° | 119.8° |
C24 | C25 | C20 | 122.0° | 119.7° |
C24 | C25 | H22 | 119.0° | 120.2° |
C1 | N1 | C2 | 122.2° | 120.0° |
N1 | C1 | H3 | 109.5° | 109.5° |
N1 | C1 | H4 | 109.5° | 109.5° |
N1 | C1 | H2 | 109.5° | 109.5° |
C1 | N1 | H5 | 118.9° | 120.0° |
C22 | C21 | C20 | 121.4° | 119.8° |
C22 | C21 | H19 | 119.3° | 120.1° |
C21 | C22 | H20 | 119.9° | 119.9° |
C31 | C32 | N5 | 112.5° | 107.9° |
C32 | C31 | C30 | 105.7° | 105.3° |
C31 | C32 | H30 | 123.7° | 126.1° |
C32 | C31 | H29 | 127.2° | 127.3° |
C32 | N5 | N6 | 103.4° | 110.9° |
N5 | C32 | H30 | 123.8° | 126.1° |
N3 | C28 | O3 | 125.7° | 120.8° |
C28 | N3 | C3 | 123.0° | 114.3° |
C28 | N3 | H27 | 118.5° | 122.9° |
N1 | C2 | C3 | 114.5° | 120.0° |
N1 | C2 | O1 | 124.1° | 120.0° |
C2 | N1 | H5 | 118.9° | 120.0° |
C25 | C20 | C21 | 117.4° | 120.0° |
C25 | C20 | C16 | 121.7° | 120.0° |
C20 | C25 | H22 | 119.0° | 120.2° |
C31 | C30 | N6 | 104.1° | 106.3° |
C31 | C30 | C29 | 130.0° | 126.9° |
C30 | C31 | H29 | 127.1° | 127.4° |
N3 | C3 | C2 | 108.8° | 109.7° |
N3 | C3 | C4 | 111.5° | 108.5° |
C3 | N3 | H27 | 118.5° | 122.8° |
N3 | C3 | H1 | 109.7° | 109.6° |
O2 | C11 | C12 | 121.3° | 119.7° |
O2 | C11 | N2 | 126.7° | 119.7° |
N5 | N6 | C30 | 114.2° | 109.6° |
N5 | N6 | C33 | 118.3° | 125.2° |
C21 | C20 | C16 | 120.9° | 119.9° |
C20 | C21 | H19 | 119.3° | 120.2° |
C20 | C16 | C15 | 120.8° | 119.6° |
C20 | C16 | C17 | 122.0° | 120.4° |
C7 | C6 | C5 | 120.9° | 119.7° |
C6 | C7 | C8 | 120.4° | 120.4° |
C6 | C7 | H9 | 119.8° | 119.8° |
C7 | C6 | H8 | 119.6° | 120.2° |
C6 | C5 | C4 | 120.0° | 120.0° |
C6 | C5 | C10 | 118.7° | 120.2° |
C5 | C6 | H8 | 119.5° | 120.1° |
C7 | C8 | N2 | 123.9° | 122.8° |
C7 | C8 | C9 | 118.7° | 119.8° |
C8 | C7 | H9 | 119.8° | 119.8° |
N6 | C30 | C29 | 125.8° | 126.9° |
C30 | N6 | C33 | 127.4° | 125.2° |
C30 | C29 | N4 | 114.8° | 120.1° |
C30 | C29 | O4 | 122.9° | 120.0° |
C3 | C2 | O1 | 121.0° | 120.0° |
C2 | C3 | C4 | 109.5° | 109.6° |
C2 | C3 | H1 | 108.7° | 109.7° |
C16 | C15 | C14 | 122.8° | 119.8° |
C15 | C16 | C17 | 117.2° | 120.0° |
C16 | C15 | H16 | 118.6° | 120.1° |
C15 | C14 | C13 | 117.9° | 119.8° |
C15 | C14 | C19 | 118.2° | 119.9° |
C14 | C15 | H16 | 118.6° | 120.1° |
N6 | C33 | H31 | 109.5° | 109.4° |
N6 | C33 | H33 | 109.5° | 109.5° |
N6 | C33 | H32 | 109.5° | 109.5° |
C3 | C4 | C5 | 113.2° | 109.9° |
C3 | C4 | H7 | 108.5° | 109.4° |
C3 | C4 | H6 | 108.5° | 109.4° |
C4 | C3 | H1 | 108.6° | 109.7° |
C29 | N4 | C12 | 121.8° | 120.0° |
N4 | C29 | O4 | 122.3° | 120.0° |
C29 | N4 | H28 | 119.1° | 120.0° |
N4 | C12 | C11 | 104.9° | 109.5° |
N4 | C12 | C13 | 110.4° | 109.6° |
N4 | C12 | H13 | 110.5° | 109.7° |
C12 | N4 | H28 | 119.1° | 120.0° |
C12 | C11 | N2 | 111.9° | 120.6° |
C11 | C12 | C13 | 112.0° | 109.0° |
C11 | C12 | H13 | 109.5° | 109.6° |
C11 | N2 | C8 | 126.8° | 115.3° |
C11 | N2 | H12 | 116.6° | 122.3° |
C12 | C13 | C14 | 114.2° | 109.8° |
C12 | C13 | H15 | 108.3° | 109.3° |
C12 | C13 | H14 | 108.3° | 109.4° |
C13 | C12 | H13 | 109.5° | 109.5° |
C13 | C14 | C19 | 124.0° | 120.2° |
C14 | C13 | H15 | 108.3° | 110.3° |
C14 | C13 | H14 | 108.3° | 108.8° |
C16 | C17 | C18 | 121.3° | 119.9° |
C16 | C17 | H17 | 119.4° | 120.1° |
C4 | C5 | C10 | 121.3° | 119.9° |
C5 | C4 | H7 | 108.5° | 109.4° |
C5 | C4 | H6 | 108.5° | 109.4° |
C5 | C10 | C9 | 120.4° | 120.3° |
C5 | C10 | H11 | 119.8° | 119.8° |
C14 | C19 | C18 | 120.2° | 120.4° |
C14 | C19 | CL1 | 121.9° | 119.8° |
N2 | C8 | C9 | 117.3° | 117.4° |
C8 | N2 | H12 | 116.6° | 122.3° |
C8 | C9 | C10 | 120.8° | 119.5° |
C8 | C9 | H10 | 119.6° | 120.3° |
C17 | C18 | C19 | 120.4° | 120.0° |
C17 | C18 | H18 | 119.8° | 120.0° |
C18 | C17 | H17 | 119.4° | 120.0° |
C10 | C9 | H10 | 119.6° | 120.2° |
C9 | C10 | H11 | 119.8° | 119.9° |
C18 | C19 | CL1 | 117.9° | 119.8° |
C19 | C18 | H18 | 119.8° | 120.0° |
H31 | C33 | H33 | 109.5° | 109.4° |
H31 | C33 | H32 | 109.5° | 109.5° |
H33 | C33 | H32 | 109.5° | 109.5° |
H7 | C4 | H6 | 109.5° | 109.3° |
H15 | C13 | H14 | 109.5° | 109.2° |
H23 | C26 | H24 | 109.5° | 109.5° |
H3 | C1 | H4 | 109.5° | 109.5° |
H3 | C1 | H2 | 109.5° | 109.5° |
H4 | C1 | H2 | 109.5° | 109.5° |
H26 | C27 | H25 | 109.5° | 109.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C27 | C26 | C24 | H23 | 120.8° | 120.0° |
C27 | C26 | C24 | H24 | 120.8° | 120.0° |
C26 | C27 | C28 | H26 | 120.4° | 120.2° |
C26 | C27 | C28 | H25 | 120.4° | 120.2° |
C27 | C26 | C24 | C23 | 50.1° | 140.1° |
C27 | C26 | C24 | C25 | 133.2° | 40.2° |
C26 | C27 | C28 | N3 | 76.9° | 162.1° |
C26 | C27 | C28 | O3 | 102.3° | 17.9° |
C27 | C26 | H23 | H24 | 117.6° | 120.0° |
C26 | C27 | H26 | H25 | 118.8° | 119.7° |
C24 | C26 | C27 | C28 | 65.2° | 128.2° |
C26 | C24 | C23 | C25 | 176.8° | 179.7° |
C26 | C24 | C23 | C22 | 177.7° | 179.7° |
C26 | C24 | C25 | C20 | 177.0° | 179.3° |
C24 | C26 | H23 | H24 | 117.6° | 120.0° |
C26 | C24 | C23 | H21 | 2.2° | 0.3° |
C26 | C24 | C25 | H22 | 3.0° | 0.7° |
C24 | C26 | C27 | H26 | 55.2° | 111.6° |
C24 | C26 | C27 | H25 | 174.5° | 8.1° |
C27 | C28 | N3 | O3 | 179.2° | 180.0° |
C27 | C28 | N3 | C3 | 176.7° | 179.3° |
C27 | C28 | N3 | H27 | 3.3° | 0.9° |
C28 | C27 | C26 | H23 | 55.6° | 8.3° |
C28 | C27 | C26 | H24 | 174.1° | 111.8° |
C28 | C27 | H26 | H25 | 118.8° | 119.7° |
C24 | C23 | C22 | H21 | 180.0° | 180.0° |
C24 | C23 | C22 | C21 | 1.1° | 0.2° |
C23 | C24 | C25 | C20 | 0.2° | 0.4° |
C23 | C24 | C26 | H23 | 170.9° | 99.9° |
C23 | C24 | C26 | H24 | 70.6° | 20.1° |
C24 | C23 | C22 | H20 | 178.9° | 179.7° |
C23 | C24 | C25 | H22 | 179.8° | 179.6° |
C22 | C23 | C24 | C25 | 1.0° | 0.0° |
C23 | C22 | C21 | H20 | 180.0° | 179.9° |
C23 | C22 | C21 | C20 | 0.4° | 0.8° |
C23 | C22 | C21 | H19 | 179.6° | 179.3° |
C24 | C25 | C20 | H22 | 180.0° | 180.0° |
C24 | C25 | C20 | C21 | 0.5° | 0.9° |
C24 | C25 | C20 | C16 | 177.1° | 179.6° |
C25 | C24 | C26 | H23 | 12.4° | 79.7° |
C25 | C24 | C26 | H24 | 106.1° | 160.2° |
C25 | C24 | C23 | H21 | 179.0° | 180.0° |
C1 | N1 | C2 | H5 | 180.0° | 180.0° |
C1 | N1 | C2 | C3 | 179.3° | 175.0° |
C1 | N1 | C2 | O1 | 8.0° | 5.0° |
N1 | C1 | H3 | H4 | 120.0° | 120.0° |
N1 | C1 | H3 | H2 | 120.0° | 120.0° |
N1 | C1 | H4 | H2 | 120.0° | 120.0° |
C22 | C21 | C20 | C25 | 0.4° | 1.1° |
C22 | C21 | C20 | H19 | 180.0° | 179.9° |
C22 | C21 | C20 | C16 | 177.2° | 179.8° |
C21 | C22 | C23 | H21 | 178.9° | 179.8° |
C31 | C32 | N5 | H30 | 180.0° | 179.8° |
C32 | C31 | C30 | H29 | 180.0° | 179.9° |
C31 | C32 | N5 | N6 | 0.3° | 0.0° |
C32 | C31 | C30 | N6 | 1.1° | 0.0° |
C32 | C31 | C30 | C29 | 178.5° | 180.0° |
N5 | C32 | C31 | C30 | 0.9° | 0.0° |
C32 | N5 | N6 | C30 | 0.4° | 0.0° |
C32 | N5 | N6 | C33 | 178.1° | 179.9° |
N5 | C32 | C31 | H29 | 179.1° | 179.9° |
C28 | N3 | C3 | H27 | 180.0° | 179.9° |
C28 | N3 | C3 | C2 | 87.8° | 90.9° |
C28 | N3 | C3 | C4 | 151.3° | 149.4° |
C28 | N3 | C3 | H1 | 31.0° | 29.5° |
N3 | C28 | C27 | H26 | 162.7° | 41.9° |
N3 | C28 | C27 | H25 | 43.5° | 77.7° |
O3 | C28 | N3 | C3 | 4.1° | 0.7° |
O3 | C28 | N3 | H27 | 175.9° | 179.1° |
O3 | C28 | C27 | H26 | 18.0° | 138.1° |
O3 | C28 | C27 | H25 | 137.3° | 102.3° |
N1 | C2 | C3 | N3 | 38.0° | 155.0° |
N1 | C2 | C3 | O1 | 172.9° | 180.0° |
N1 | C2 | C3 | C4 | 84.0° | 86.0° |
C2 | N1 | C1 | H3 | 180.0° | 180.0° |
C2 | N1 | C1 | H4 | 60.0° | 60.0° |
C2 | N1 | C1 | H2 | 60.0° | 60.0° |
N1 | C2 | C3 | H1 | 157.4° | 34.5° |
C25 | C20 | C21 | C16 | 177.6° | 178.7° |
C25 | C20 | C16 | C15 | 41.7° | 3.4° |
C25 | C20 | C16 | C17 | 139.2° | 175.6° |
C25 | C20 | C21 | H19 | 179.6° | 179.0° |
C31 | C30 | N6 | N5 | 1.0° | 0.0° |
C31 | C30 | N6 | C29 | 179.6° | 180.0° |
C31 | C30 | N6 | C33 | 178.4° | 179.9° |
C31 | C30 | C29 | N4 | 14.8° | 171.0° |
C31 | C30 | C29 | O4 | 167.4° | 9.1° |
C30 | C31 | C32 | H30 | 179.1° | 179.7° |
N3 | C3 | C2 | C4 | 122.1° | 119.0° |
N3 | C3 | C2 | H1 | 119.4° | 120.5° |
N3 | C3 | C2 | O1 | 149.1° | 25.0° |
N3 | C3 | C4 | H1 | 120.9° | 119.8° |
N3 | C3 | C4 | C5 | 55.4° | 66.3° |
N3 | C3 | C4 | H7 | 175.9° | 173.5° |
N3 | C3 | C4 | H6 | 65.2° | 53.8° |
O2 | C11 | C12 | N4 | 35.4° | 172.0° |
O2 | C11 | C12 | N2 | 177.6° | 180.0° |
O2 | C11 | C12 | C13 | 84.3° | 52.2° |
O2 | C11 | N2 | C8 | 3.4° | 157.2° |
O2 | C11 | N2 | H12 | 176.6° | 22.9° |
O2 | C11 | C12 | H13 | 154.0° | 67.6° |
N5 | N6 | C30 | C33 | 177.5° | 179.9° |
N5 | N6 | C30 | C29 | 178.7° | 180.0° |
N5 | N6 | C33 | H31 | 0.0° | 92.8° |
N5 | N6 | C33 | H33 | 120.0° | 147.3° |
N5 | N6 | C33 | H32 | 120.0° | 27.2° |
N6 | N5 | C32 | H30 | 179.7° | 179.7° |
C21 | C20 | C16 | C15 | 135.8° | 177.9° |
C21 | C20 | C16 | C17 | 43.3° | 3.0° |
C20 | C21 | C22 | H20 | 179.6° | 179.2° |
C21 | C20 | C25 | H22 | 179.5° | 179.1° |
C20 | C16 | C15 | C17 | 179.1° | 179.1° |
C20 | C16 | C15 | C14 | 179.8° | 178.9° |
C20 | C16 | C17 | C18 | 179.1° | 179.9° |
C16 | C20 | C21 | H19 | 2.8° | 0.3° |
C20 | C16 | C15 | H16 | 0.1° | 1.1° |
C20 | C16 | C17 | H17 | 0.9° | 0.1° |
C16 | C20 | C25 | H22 | 2.9° | 0.4° |
C7 | C6 | C5 | H8 | 180.0° | 179.9° |
C6 | C7 | C8 | H9 | 180.0° | 179.9° |
C7 | C6 | C5 | C4 | 178.5° | 179.1° |
C7 | C6 | C5 | C10 | 0.1° | 1.1° |
C6 | C7 | C8 | N2 | 179.8° | 176.8° |
C6 | C7 | C8 | C9 | 0.5° | 2.8° |
C5 | C6 | C7 | C8 | 0.1° | 1.3° |
C6 | C5 | C4 | C3 | 103.9° | 58.6° |
C6 | C5 | C4 | C10 | 178.6° | 179.8° |
C6 | C5 | C10 | C9 | 0.0° | 2.0° |
C6 | C5 | C4 | H7 | 135.5° | 61.6° |
C6 | C5 | C4 | H6 | 16.6° | 178.7° |
C5 | C6 | C7 | H9 | 179.9° | 178.6° |
C6 | C5 | C10 | H11 | 180.0° | 178.0° |
C7 | C8 | N2 | C11 | 9.1° | 90.4° |
C7 | C8 | N2 | C9 | 179.7° | 179.6° |
C7 | C8 | C9 | C10 | 0.7° | 1.9° |
C7 | C8 | N2 | H12 | 171.0° | 89.5° |
C8 | C7 | C6 | H8 | 179.9° | 178.7° |
C7 | C8 | C9 | H10 | 179.3° | 177.9° |
N6 | C30 | C29 | N4 | 164.7° | 9.0° |
N6 | C30 | C29 | O4 | 13.1° | 171.0° |
C30 | N6 | C33 | H31 | 177.4° | 87.3° |
C30 | N6 | C33 | H33 | 62.6° | 32.6° |
C30 | N6 | C33 | H32 | 57.3° | 152.7° |
N6 | C30 | C31 | H29 | 178.9° | 179.9° |
C29 | C30 | N6 | C33 | 1.2° | 0.1° |
C30 | C29 | N4 | O4 | 177.8° | 180.0° |
C30 | C29 | N4 | C12 | 169.3° | 173.5° |
C30 | C29 | N4 | H28 | 10.8° | 6.5° |
C29 | C30 | C31 | H29 | 1.5° | 0.1° |
C2 | C3 | C4 | H1 | 118.6° | 120.5° |
C2 | C3 | C4 | C5 | 175.8° | 173.9° |
C2 | C3 | N3 | H27 | 92.2° | 89.2° |
C2 | C3 | C4 | H7 | 63.6° | 53.8° |
C2 | C3 | C4 | H6 | 55.3° | 65.9° |
C3 | C2 | N1 | H5 | 0.7° | 5.0° |
O1 | C2 | C3 | C4 | 88.9° | 94.0° |
O1 | C2 | N1 | H5 | 171.9° | 175.0° |
O1 | C2 | C3 | H1 | 29.7° | 145.4° |
C16 | C15 | C14 | H16 | 180.0° | 180.0° |
C16 | C15 | C14 | C13 | 177.1° | 176.4° |
C16 | C15 | C14 | C19 | 1.0° | 2.1° |
C15 | C16 | C17 | C18 | 0.1° | 1.1° |
C15 | C16 | C17 | H17 | 180.0° | 179.0° |
C15 | C14 | C13 | C12 | 88.6° | 46.3° |
C15 | C14 | C13 | C19 | 178.0° | 178.4° |
C14 | C15 | C16 | C17 | 0.7° | 2.0° |
C15 | C14 | C19 | C18 | 0.6° | 1.2° |
C15 | C14 | C19 | CL1 | 179.3° | 178.7° |
C15 | C14 | C13 | H15 | 150.7° | 74.3° |
C15 | C14 | C13 | H14 | 32.0° | 165.9° |
N6 | C33 | H31 | H33 | 120.0° | 120.0° |
N6 | C33 | H31 | H32 | 120.0° | 120.0° |
N6 | C33 | H33 | H32 | 120.0° | 120.1° |
C3 | C4 | C5 | H7 | 120.6° | 120.1° |
C3 | C4 | C5 | H6 | 120.6° | 120.1° |
C3 | C4 | C5 | C10 | 74.7° | 121.2° |
C4 | C3 | N3 | H27 | 28.7° | 30.5° |
C3 | C4 | H7 | H6 | 118.3° | 119.8° |
C29 | N4 | C12 | H28 | 180.0° | 179.9° |
C29 | N4 | C12 | C11 | 78.4° | 76.4° |
C29 | N4 | C12 | C13 | 160.8° | 43.1° |
C29 | N4 | C12 | H13 | 39.6° | 163.3° |
N4 | C12 | C11 | C13 | 119.8° | 119.8° |
N4 | C12 | C11 | H13 | 118.6° | 120.3° |
N4 | C12 | C11 | N2 | 147.0° | 7.9° |
N4 | C12 | C13 | H13 | 121.8° | 120.3° |
N4 | C12 | C13 | C14 | 177.2° | 95.9° |
C12 | N4 | C29 | O4 | 8.5° | 6.5° |
N4 | C12 | C13 | H15 | 62.1° | 25.3° |
N4 | C12 | C13 | H14 | 56.5° | 144.7° |
C11 | C12 | C13 | H13 | 121.7° | 119.9° |
C11 | C12 | C13 | C14 | 60.7° | 144.2° |
C12 | C11 | N2 | C8 | 179.1° | 22.8° |
C12 | C11 | N2 | H12 | 0.9° | 157.1° |
C11 | C12 | C13 | H15 | 178.6° | 94.6° |
C11 | C12 | C13 | H14 | 60.0° | 24.9° |
C11 | C12 | N4 | H28 | 101.7° | 103.6° |
N2 | C11 | C12 | C13 | 93.3° | 127.8° |
C11 | N2 | C8 | H12 | 180.0° | 179.9° |
C11 | N2 | C8 | C9 | 171.2° | 90.0° |
N2 | C11 | C12 | H13 | 28.4° | 112.4° |
C12 | C13 | C14 | H15 | 120.7° | 120.6° |
C12 | C13 | C14 | H14 | 120.7° | 119.7° |
C12 | C13 | C14 | C19 | 89.4° | 135.3° |
C12 | C13 | H15 | H14 | 117.9° | 119.6° |
C13 | C12 | N4 | H28 | 19.2° | 136.9° |
C13 | C14 | C19 | C18 | 177.4° | 177.2° |
C13 | C14 | C19 | CL1 | 2.7° | 2.9° |
C14 | C13 | H15 | H14 | 117.9° | 119.5° |
C14 | C13 | C12 | H13 | 60.9° | 24.4° |
C13 | C14 | C15 | H16 | 2.9° | 3.6° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.3° | 0.2° |
C16 | C17 | C18 | H18 | 179.7° | 179.7° |
C17 | C16 | C15 | H16 | 179.2° | 178.0° |
C4 | C5 | C10 | C9 | 178.7° | 178.2° |
C5 | C4 | H7 | H6 | 118.3° | 119.7° |
C4 | C5 | C6 | H8 | 1.5° | 0.9° |
C5 | C4 | C3 | H1 | 65.6° | 53.4° |
C4 | C5 | C10 | H11 | 1.3° | 1.8° |
O4 | C29 | N4 | H28 | 171.4° | 173.6° |
C5 | C10 | C9 | C8 | 0.4° | 0.5° |
C5 | C10 | C9 | H11 | 180.0° | 179.9° |
C10 | C5 | C4 | H7 | 45.8° | 118.6° |
C10 | C5 | C4 | H6 | 164.7° | 1.1° |
C10 | C5 | C6 | H8 | 179.9° | 178.9° |
C5 | C10 | C9 | H10 | 179.6° | 179.7° |
C14 | C19 | C18 | C17 | 0.1° | 0.3° |
C14 | C19 | C18 | CL1 | 179.9° | 179.9° |
C19 | C14 | C13 | H15 | 31.3° | 104.1° |
C19 | C14 | C13 | H14 | 150.0° | 15.6° |
C14 | C19 | C18 | H18 | 180.0° | 179.6° |
C19 | C14 | C15 | H16 | 179.0° | 177.9° |
N2 | C8 | C9 | C10 | 179.6° | 177.7° |
N2 | C8 | C7 | H9 | 0.2° | 3.3° |
N2 | C8 | C9 | H10 | 0.4° | 2.5° |
C8 | C9 | C10 | H10 | 180.0° | 179.9° |
C9 | C8 | N2 | H12 | 8.7° | 90.1° |
C9 | C8 | C7 | H9 | 179.5° | 177.1° |
C8 | C9 | C10 | H11 | 179.6° | 179.5° |
C17 | C18 | C19 | H18 | 180.0° | 179.9° |
C17 | C18 | C19 | CL1 | 180.0° | 179.6° |
C19 | C18 | C17 | H17 | 179.7° | 179.8° |
CL1 | C19 | C18 | H18 | 0.1° | 0.5° |
H31 | C33 | H33 | H32 | 120.0° | 120.0° |
H30 | C32 | C31 | H29 | 0.9° | 0.2° |
H27 | N3 | C3 | H1 | 149.0° | 150.3° |
H7 | C4 | C3 | H1 | 55.0° | 66.7° |
H6 | C4 | C3 | H1 | 173.9° | 173.6° |
H9 | C7 | C6 | H8 | 0.1° | 1.4° |
H10 | C9 | C10 | H11 | 0.4° | 0.4° |
H15 | C13 | C12 | H13 | 59.7° | 145.6° |
H14 | C13 | C12 | H13 | 178.4° | 95.0° |
H19 | C21 | C22 | H20 | 0.4° | 0.7° |
H18 | C18 | C17 | H17 | 0.3° | 0.3° |
H23 | C26 | C27 | H26 | 176.0° | 128.4° |
H23 | C26 | C27 | H25 | 64.8° | 111.9° |
H24 | C26 | C27 | H26 | 65.5° | 8.4° |
H24 | C26 | C27 | H25 | 53.7° | 128.0° |
H3 | C1 | H4 | H2 | 120.0° | 120.0° |
H3 | C1 | N1 | H5 | 0.0° | 0.0° |
H4 | C1 | N1 | H5 | 120.0° | 120.0° |
H2 | C1 | N1 | H5 | 120.0° | 120.0° |
H13 | C12 | N4 | H28 | 140.4° | 16.6° |
H20 | C22 | C23 | H21 | 1.1° | 0.2° |