YW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C24 | doub | 1.40Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.37Å | 1.38Å | Aromatic |
| N25 | C24 | sing | 1.36Å | 1.43Å | Aromatic |
| N25 | C21 | doub | 1.30Å | 1.43Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C34 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| F33 | C32 | sing | 1.35Å | 1.33Å | |
| C32 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C30 | sing | 1.38Å | 1.43Å | Aromatic |
| C30 | C20 | sing | 1.51Å | 1.63Å | |
| C20 | C21 | sing | 1.51Å | 1.60Å | |
| C20 | N19 | sing | 1.47Å | 1.53Å | |
| C21 | N22 | sing | 1.36Å | 1.34Å | Aromatic |
| O38 | C37 | doub | 1.22Å | 1.22Å | |
| C23 | N22 | sing | 1.38Å | 1.45Å | Aromatic |
| C23 | C29 | doub | 1.39Å | 1.44Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| N19 | C37 | sing | 1.34Å | 1.41Å | |
| N19 | C18 | sing | 1.47Å | 1.52Å | |
| C37 | C16 | sing | 1.48Å | 1.57Å | |
| C18 | C17 | sing | 1.51Å | 1.58Å | |
| C16 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | C39 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C40 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | C11 | sing | 1.48Å | 1.59Å | |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.53Å | 1.50Å | |
| C04 | C05 | sing | 1.53Å | 1.58Å | |
| C08 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C05 | sing | 1.51Å | 1.58Å | |
| C03 | N02 | sing | 1.47Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C06 | C07 | sing | 1.53Å | 1.49Å | |
| N02 | C07 | sing | 1.47Å | 1.52Å | |
| N02 | C01 | sing | 1.47Å | 1.48Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| C40 | H30 | sing | 1.08Å | 1.08Å | |
| N22 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C26 | C27 | 119.4° | 119.9° |
| C26 | C24 | N25 | 133.8° | 133.7° |
| C26 | C24 | C23 | 120.5° | 119.4° |
| C24 | C26 | H21 | 120.3° | 120.0° |
| C26 | C27 | C28 | 120.5° | 120.6° |
| C27 | C26 | H21 | 120.3° | 120.0° |
| C26 | C27 | H22 | 119.7° | 119.7° |
| C24 | N25 | C21 | 108.7° | 109.7° |
| N25 | C24 | C23 | 105.7° | 106.9° |
| N25 | C21 | C20 | 125.0° | 125.0° |
| N25 | C21 | N22 | 108.9° | 110.1° |
| C24 | C23 | N22 | 108.3° | 106.0° |
| C24 | C23 | C29 | 119.4° | 119.9° |
| C27 | C28 | C29 | 120.7° | 120.5° |
| C28 | C27 | H22 | 119.8° | 119.7° |
| C27 | C28 | H23 | 119.7° | 119.8° |
| C32 | C34 | C35 | 118.3° | 120.0° |
| C34 | C32 | F33 | 119.5° | 120.0° |
| C34 | C32 | C31 | 121.2° | 119.9° |
| C32 | C34 | H26 | 120.8° | 120.0° |
| C34 | C35 | C36 | 121.0° | 120.0° |
| C35 | C34 | H26 | 120.9° | 120.0° |
| C34 | C35 | H27 | 119.5° | 120.0° |
| F33 | C32 | C31 | 119.2° | 120.0° |
| C32 | C31 | C30 | 121.0° | 120.0° |
| C32 | C31 | H25 | 119.5° | 120.0° |
| C35 | C36 | C30 | 120.4° | 120.0° |
| C36 | C35 | H27 | 119.5° | 120.0° |
| C35 | C36 | H28 | 119.8° | 120.0° |
| C31 | C30 | C36 | 118.0° | 120.0° |
| C31 | C30 | C20 | 119.8° | 120.0° |
| C30 | C31 | H25 | 119.5° | 120.0° |
| C36 | C30 | C20 | 122.2° | 120.0° |
| C30 | C36 | H28 | 119.8° | 120.0° |
| C30 | C20 | C21 | 109.7° | 109.5° |
| C30 | C20 | N19 | 113.1° | 109.5° |
| C30 | C20 | H20 | 106.4° | 109.5° |
| C21 | C20 | N19 | 112.8° | 109.4° |
| C20 | C21 | N22 | 126.0° | 124.9° |
| C21 | C20 | H20 | 106.7° | 109.5° |
| C20 | N19 | C37 | 133.1° | 125.6° |
| C20 | N19 | C18 | 120.6° | 125.7° |
| N19 | C20 | H20 | 107.6° | 109.5° |
| C21 | N22 | C23 | 108.4° | 107.3° |
| C21 | N22 | H32 | 125.8° | 126.4° |
| O38 | C37 | N19 | 122.0° | 124.9° |
| O38 | C37 | C16 | 126.7° | 124.9° |
| N22 | C23 | C29 | 132.3° | 134.1° |
| C23 | N22 | H32 | 125.8° | 126.3° |
| C23 | C29 | C28 | 119.5° | 119.7° |
| C23 | C29 | H24 | 120.3° | 120.2° |
| C29 | C28 | H23 | 119.6° | 119.7° |
| C28 | C29 | H24 | 120.2° | 120.2° |
| C37 | N19 | C18 | 106.3° | 108.8° |
| N19 | C37 | C16 | 111.3° | 110.3° |
| N19 | C18 | C17 | 107.1° | 106.3° |
| N19 | C18 | H18 | 110.1° | 110.1° |
| N19 | C18 | H19 | 110.1° | 110.1° |
| C37 | C16 | C17 | 107.0° | 108.3° |
| C37 | C16 | C15 | 133.4° | 132.2° |
| C18 | C17 | C16 | 108.3° | 106.4° |
| C18 | C17 | C39 | 133.0° | 133.0° |
| C17 | C18 | H18 | 110.0° | 110.2° |
| C17 | C18 | H19 | 110.1° | 110.1° |
| C17 | C16 | C15 | 119.6° | 119.5° |
| C16 | C17 | C39 | 118.6° | 120.6° |
| C16 | C15 | C14 | 124.6° | 119.8° |
| C16 | C15 | H1 | 117.7° | 120.1° |
| C17 | C39 | C40 | 120.7° | 120.1° |
| C17 | C39 | H29 | 119.6° | 119.9° |
| C15 | C14 | C40 | 114.3° | 120.0° |
| C15 | C14 | C11 | 123.2° | 120.0° |
| C14 | C15 | H1 | 117.7° | 120.1° |
| C39 | C40 | C14 | 122.0° | 120.1° |
| C40 | C39 | H29 | 119.7° | 120.0° |
| C39 | C40 | H30 | 119.0° | 120.0° |
| C40 | C14 | C11 | 122.4° | 120.0° |
| C14 | C40 | H30 | 119.0° | 119.9° |
| C14 | C11 | C12 | 121.3° | 120.2° |
| C14 | C11 | C10 | 124.4° | 120.1° |
| C12 | C11 | C10 | 114.3° | 119.8° |
| C11 | C12 | C13 | 123.2° | 119.9° |
| C11 | C12 | H16 | 118.4° | 120.1° |
| C11 | C10 | C09 | 122.9° | 119.8° |
| C11 | C10 | H15 | 118.6° | 120.1° |
| C12 | C13 | C08 | 121.9° | 120.1° |
| C13 | C12 | H16 | 118.4° | 120.0° |
| C12 | C13 | H17 | 119.0° | 120.0° |
| C13 | C08 | C09 | 115.9° | 120.3° |
| C13 | C08 | C05 | 121.4° | 119.9° |
| C08 | C13 | H17 | 119.0° | 120.0° |
| C10 | C09 | C08 | 121.8° | 120.1° |
| C10 | C09 | H14 | 119.1° | 120.0° |
| C09 | C10 | H15 | 118.5° | 120.1° |
| C03 | C04 | C05 | 116.9° | 109.3° |
| C04 | C03 | N02 | 106.0° | 109.5° |
| C04 | C03 | H5 | 110.3° | 109.5° |
| C04 | C03 | H6 | 110.3° | 109.5° |
| C03 | C04 | H7 | 107.6° | 109.5° |
| C03 | C04 | H8 | 107.6° | 109.5° |
| C04 | C05 | C08 | 115.1° | 109.5° |
| C04 | C05 | C06 | 112.6° | 109.1° |
| C05 | C04 | H7 | 107.6° | 109.5° |
| C05 | C04 | H8 | 107.6° | 109.5° |
| C04 | C05 | H9 | 106.7° | 109.6° |
| C09 | C08 | C05 | 122.7° | 119.8° |
| C08 | C09 | H14 | 119.1° | 119.9° |
| C08 | C05 | C06 | 108.4° | 109.5° |
| C08 | C05 | H9 | 106.7° | 109.6° |
| C03 | N02 | C07 | 108.2° | 111.2° |
| C03 | N02 | C01 | 105.8° | 111.0° |
| N02 | C03 | H5 | 110.3° | 109.4° |
| N02 | C03 | H6 | 110.3° | 109.5° |
| C05 | C06 | C07 | 117.7° | 109.3° |
| C06 | C05 | H9 | 106.9° | 109.5° |
| C05 | C06 | H10 | 107.4° | 109.5° |
| C05 | C06 | H11 | 107.4° | 109.5° |
| C06 | C07 | N02 | 106.5° | 109.5° |
| C07 | C06 | H10 | 107.4° | 109.5° |
| C07 | C06 | H11 | 107.4° | 109.5° |
| C06 | C07 | H12 | 110.2° | 109.5° |
| C06 | C07 | H13 | 110.2° | 109.5° |
| C07 | N02 | C01 | 105.4° | 111.0° |
| N02 | C07 | H12 | 110.2° | 109.4° |
| N02 | C07 | H13 | 110.2° | 109.4° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H10 | C06 | H11 | 109.4° | 109.5° |
| H12 | C07 | H13 | 109.4° | 109.5° |
| H18 | C18 | H19 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C26 | C27 | H21 | 180.0° | 179.9° |
| C26 | C24 | N25 | C23 | 179.4° | 180.0° |
| C26 | C24 | N25 | C21 | 179.9° | 179.8° |
| C24 | C26 | C27 | C28 | 0.2° | 0.0° |
| C26 | C24 | C23 | N22 | 179.7° | 179.9° |
| C26 | C24 | C23 | C29 | 0.2° | 0.2° |
| C24 | C26 | C27 | H22 | 179.8° | 179.9° |
| C27 | C26 | C24 | N25 | 179.6° | 180.0° |
| C27 | C26 | C24 | C23 | 0.2° | 0.0° |
| C26 | C27 | C28 | H22 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.2° |
| C26 | C27 | C28 | H23 | 179.9° | 180.0° |
| C24 | N25 | C21 | C20 | 179.7° | 180.0° |
| C24 | N25 | C21 | N22 | 0.6° | 0.2° |
| N25 | C24 | C23 | N22 | 0.2° | 0.0° |
| N25 | C24 | C23 | C29 | 179.7° | 179.9° |
| N25 | C24 | C26 | H21 | 0.4° | 0.1° |
| C21 | N25 | C24 | C23 | 0.4° | 0.1° |
| N25 | C21 | C20 | C30 | 101.0° | 95.3° |
| N25 | C21 | C20 | N22 | 179.7° | 179.8° |
| N25 | C21 | C20 | N19 | 131.9° | 24.8° |
| N25 | C21 | N22 | C23 | 0.4° | 0.1° |
| N25 | C21 | C20 | H20 | 13.9° | 144.7° |
| N25 | C21 | N22 | H32 | 179.6° | 179.8° |
| C24 | C23 | N22 | C21 | 0.2° | 0.1° |
| C24 | C23 | N22 | C29 | 179.9° | 179.9° |
| C24 | C23 | C29 | C28 | 0.1° | 0.3° |
| C23 | C24 | C26 | H21 | 179.8° | 179.9° |
| C24 | C23 | C29 | H24 | 179.9° | 179.9° |
| C24 | C23 | N22 | H32 | 179.9° | 179.8° |
| C27 | C28 | C29 | C23 | 0.1° | 0.3° |
| C27 | C28 | C29 | H23 | 180.0° | 179.9° |
| C28 | C27 | C26 | H21 | 179.8° | 179.9° |
| C27 | C28 | C29 | H24 | 179.9° | 179.9° |
| C32 | C34 | C35 | H26 | 180.0° | 179.9° |
| C34 | C32 | F33 | C31 | 179.8° | 180.0° |
| C32 | C34 | C35 | C36 | 0.2° | 0.3° |
| C34 | C32 | C31 | C30 | 0.5° | 0.0° |
| C34 | C32 | C31 | H25 | 179.5° | 180.0° |
| C32 | C34 | C35 | H27 | 179.8° | 180.0° |
| C35 | C34 | C32 | F33 | 180.0° | 180.0° |
| C35 | C34 | C32 | C31 | 0.3° | 0.0° |
| C34 | C35 | C36 | H27 | 180.0° | 179.7° |
| C34 | C35 | C36 | C30 | 0.3° | 0.6° |
| C34 | C35 | C36 | H28 | 179.7° | 180.0° |
| F33 | C32 | C31 | C30 | 179.8° | 180.0° |
| F33 | C32 | C31 | H25 | 0.2° | 0.0° |
| F33 | C32 | C34 | H26 | 0.0° | 0.1° |
| C32 | C31 | C30 | H25 | 180.0° | 180.0° |
| C32 | C31 | C30 | C36 | 0.5° | 0.3° |
| C32 | C31 | C30 | C20 | 179.9° | 180.0° |
| C31 | C32 | C34 | H26 | 179.7° | 180.0° |
| C35 | C36 | C30 | C31 | 0.5° | 0.6° |
| C35 | C36 | C30 | H28 | 180.0° | 179.5° |
| C35 | C36 | C30 | C20 | 180.0° | 179.7° |
| C36 | C35 | C34 | H26 | 179.8° | 179.8° |
| C31 | C30 | C36 | C20 | 179.6° | 179.7° |
| C31 | C30 | C20 | C21 | 1.1° | 105.9° |
| C31 | C30 | C20 | N19 | 125.9° | 134.2° |
| C31 | C30 | C20 | H20 | 116.2° | 14.1° |
| C31 | C30 | C36 | H28 | 179.5° | 180.0° |
| C36 | C30 | C20 | C21 | 178.5° | 73.9° |
| C36 | C30 | C20 | N19 | 54.6° | 46.1° |
| C36 | C30 | C20 | H20 | 63.4° | 166.1° |
| C36 | C30 | C31 | H25 | 179.5° | 179.7° |
| C30 | C36 | C35 | H27 | 179.7° | 179.7° |
| C30 | C20 | C21 | N19 | 127.1° | 120.0° |
| C30 | C20 | C21 | H20 | 114.9° | 120.0° |
| C30 | C20 | N19 | H20 | 117.3° | 120.0° |
| C30 | C20 | C21 | N22 | 78.7° | 84.9° |
| C30 | C20 | N19 | C37 | 145.8° | 65.7° |
| C30 | C20 | N19 | C18 | 35.5° | 114.2° |
| C20 | C30 | C31 | H25 | 0.1° | 0.0° |
| C20 | C30 | C36 | H28 | 0.0° | 0.3° |
| C21 | C20 | N19 | H20 | 117.4° | 120.0° |
| C20 | C21 | N22 | C23 | 179.8° | 180.0° |
| C21 | C20 | N19 | C37 | 88.9° | 174.3° |
| C21 | C20 | N19 | C18 | 89.8° | 5.8° |
| C20 | C21 | N22 | H32 | 0.2° | 0.1° |
| N19 | C20 | C21 | N22 | 48.4° | 155.0° |
| C20 | N19 | C37 | O38 | 0.3° | 0.1° |
| C20 | N19 | C37 | C18 | 178.8° | 179.9° |
| C20 | N19 | C37 | C16 | 179.7° | 180.0° |
| C20 | N19 | C18 | C17 | 179.8° | 179.9° |
| C20 | N19 | C18 | H18 | 60.2° | 60.8° |
| C20 | N19 | C18 | H19 | 60.6° | 60.8° |
| C21 | N22 | C23 | H32 | 180.0° | 179.9° |
| C21 | N22 | C23 | C29 | 180.0° | 180.0° |
| N22 | C21 | C20 | H20 | 166.4° | 35.1° |
| O38 | C37 | N19 | C16 | 179.9° | 179.9° |
| O38 | C37 | N19 | C18 | 179.2° | 180.0° |
| O38 | C37 | C16 | C17 | 179.9° | 180.0° |
| O38 | C37 | C16 | C15 | 0.7° | 0.0° |
| N22 | C23 | C29 | C28 | 179.7° | 179.8° |
| N22 | C23 | C29 | H24 | 0.3° | 0.1° |
| C23 | C29 | C28 | H24 | 180.0° | 179.7° |
| C23 | C29 | C28 | H23 | 179.9° | 179.8° |
| C29 | C23 | N22 | H32 | 0.0° | 0.1° |
| C29 | C28 | C27 | H22 | 179.9° | 179.8° |
| C37 | N19 | C18 | C17 | 1.2° | 0.0° |
| N19 | C37 | C16 | C17 | 0.2° | 0.1° |
| N19 | C37 | C16 | C15 | 179.3° | 179.9° |
| C37 | N19 | C18 | H18 | 120.8° | 119.3° |
| C37 | N19 | C18 | H19 | 118.5° | 119.1° |
| C37 | N19 | C20 | H20 | 28.5° | 54.3° |
| C18 | N19 | C37 | C16 | 0.9° | 0.1° |
| N19 | C18 | C17 | H18 | 119.6° | 119.2° |
| N19 | C18 | C17 | H19 | 119.6° | 119.2° |
| N19 | C18 | C17 | C16 | 1.1° | 0.0° |
| N19 | C18 | C17 | C39 | 179.5° | 179.9° |
| N19 | C18 | H18 | H19 | 121.1° | 121.6° |
| C18 | N19 | C20 | H20 | 152.8° | 125.8° |
| C37 | C16 | C17 | C18 | 0.6° | 0.0° |
| C37 | C16 | C17 | C15 | 179.5° | 180.0° |
| C37 | C16 | C17 | C39 | 179.9° | 180.0° |
| C37 | C16 | C15 | C14 | 179.9° | 179.9° |
| C37 | C16 | C15 | H1 | 0.1° | 0.3° |
| C18 | C17 | C16 | C39 | 179.5° | 179.9° |
| C18 | C17 | C16 | C15 | 179.9° | 179.9° |
| C18 | C17 | C39 | C40 | 179.6° | 179.7° |
| C17 | C18 | H18 | H19 | 121.1° | 121.6° |
| C18 | C17 | C39 | H29 | 0.4° | 0.2° |
| C17 | C16 | C15 | C14 | 0.7° | 0.1° |
| C16 | C17 | C39 | C40 | 0.2° | 0.2° |
| C17 | C16 | C15 | H1 | 179.2° | 179.7° |
| C16 | C17 | C18 | H18 | 120.8° | 119.2° |
| C16 | C17 | C18 | H19 | 118.5° | 119.2° |
| C16 | C17 | C39 | H29 | 179.8° | 180.0° |
| C15 | C16 | C17 | C39 | 0.4° | 0.0° |
| C16 | C15 | C14 | H1 | 180.0° | 179.6° |
| C16 | C15 | C14 | C40 | 0.8° | 0.4° |
| C16 | C15 | C14 | C11 | 179.5° | 179.7° |
| C17 | C39 | C40 | H29 | 180.0° | 179.9° |
| C17 | C39 | C40 | C14 | 0.4° | 0.5° |
| C39 | C17 | C18 | H18 | 59.8° | 60.7° |
| C39 | C17 | C18 | H19 | 60.9° | 60.9° |
| C17 | C39 | C40 | H30 | 179.6° | 179.9° |
| C15 | C14 | C40 | C39 | 0.6° | 0.6° |
| C15 | C14 | C40 | C11 | 178.7° | 179.9° |
| C15 | C14 | C11 | C12 | 46.4° | 179.9° |
| C15 | C14 | C11 | C10 | 130.8° | 0.3° |
| C15 | C14 | C40 | H30 | 179.4° | 179.9° |
| C39 | C40 | C14 | H30 | 180.0° | 179.4° |
| C39 | C40 | C14 | C11 | 179.3° | 179.5° |
| C40 | C14 | C11 | C12 | 135.1° | 0.1° |
| C40 | C14 | C11 | C10 | 47.7° | 179.8° |
| C40 | C14 | C15 | H1 | 179.2° | 180.0° |
| C14 | C40 | C39 | H29 | 179.6° | 179.6° |
| C14 | C11 | C12 | C10 | 177.4° | 179.7° |
| C14 | C11 | C12 | C13 | 178.9° | 179.7° |
| C14 | C11 | C10 | C09 | 178.9° | 179.7° |
| C11 | C14 | C15 | H1 | 0.5° | 0.1° |
| C14 | C11 | C10 | H15 | 1.1° | 0.3° |
| C14 | C11 | C12 | H16 | 1.1° | 0.3° |
| C11 | C14 | C40 | H30 | 0.7° | 0.1° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C11 | C12 | C13 | C08 | 1.2° | 0.0° |
| C12 | C11 | C10 | C09 | 1.6° | 0.0° |
| C12 | C11 | C10 | H15 | 178.4° | 180.0° |
| C11 | C12 | C13 | H17 | 178.8° | 180.0° |
| C10 | C11 | C12 | C13 | 1.4° | 0.0° |
| C11 | C10 | C09 | H15 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 1.5° | 0.0° |
| C11 | C10 | C09 | H14 | 178.5° | 180.0° |
| C10 | C11 | C12 | H16 | 178.6° | 180.0° |
| C12 | C13 | C08 | H17 | 180.0° | 179.9° |
| C12 | C13 | C08 | C09 | 0.9° | 0.1° |
| C12 | C13 | C08 | C05 | 179.4° | 180.0° |
| C13 | C08 | C09 | C10 | 1.0° | 0.0° |
| C13 | C08 | C05 | C04 | 82.6° | 60.0° |
| C13 | C08 | C09 | C05 | 178.5° | 180.0° |
| C13 | C08 | C05 | C06 | 150.3° | 59.7° |
| C13 | C08 | C05 | H9 | 35.5° | 179.8° |
| C13 | C08 | C09 | H14 | 179.0° | 180.0° |
| C08 | C13 | C12 | H16 | 178.9° | 179.9° |
| C10 | C09 | C08 | H14 | 180.0° | 180.0° |
| C10 | C09 | C08 | C05 | 179.5° | 180.0° |
| C03 | C04 | C05 | H7 | 121.1° | 120.0° |
| C03 | C04 | C05 | H8 | 121.1° | 120.0° |
| C03 | C04 | C05 | C08 | 153.0° | 177.5° |
| C04 | C03 | N02 | H5 | 119.5° | 120.0° |
| C04 | C03 | N02 | H6 | 119.5° | 120.1° |
| C03 | C04 | C05 | C06 | 28.0° | 57.7° |
| C04 | C03 | N02 | C07 | 72.3° | 61.7° |
| C04 | C03 | N02 | C01 | 175.2° | 62.3° |
| C04 | C03 | H5 | H6 | 121.6° | 120.0° |
| C03 | C04 | H7 | H8 | 116.6° | 120.1° |
| C03 | C04 | C05 | H9 | 88.9° | 62.2° |
| C04 | C05 | C08 | C09 | 98.9° | 120.1° |
| C04 | C05 | C08 | C06 | 127.1° | 119.6° |
| C04 | C05 | C08 | H9 | 118.1° | 120.2° |
| C05 | C04 | C03 | N02 | 19.6° | 59.2° |
| C04 | C05 | C06 | H9 | 116.8° | 119.9° |
| C04 | C05 | C06 | C07 | 29.4° | 57.7° |
| C05 | C04 | C03 | H5 | 139.0° | 60.8° |
| C05 | C04 | C03 | H6 | 99.9° | 179.2° |
| C05 | C04 | H7 | H8 | 116.6° | 120.0° |
| C04 | C05 | C06 | H10 | 91.8° | 62.3° |
| C04 | C05 | C06 | H11 | 150.5° | 177.6° |
| C09 | C08 | C05 | C06 | 28.1° | 120.3° |
| C09 | C08 | C05 | H9 | 143.0° | 0.2° |
| C08 | C09 | C10 | H15 | 178.5° | 180.0° |
| C09 | C08 | C13 | H17 | 179.1° | 180.0° |
| C08 | C05 | C06 | H9 | 114.7° | 120.2° |
| C08 | C05 | C06 | C07 | 157.9° | 177.5° |
| C08 | C05 | C04 | H7 | 31.9° | 57.5° |
| C08 | C05 | C04 | H8 | 86.0° | 62.5° |
| C08 | C05 | C06 | H10 | 36.7° | 57.6° |
| C08 | C05 | C06 | H11 | 80.9° | 62.5° |
| C05 | C08 | C09 | H14 | 0.4° | 0.0° |
| C05 | C08 | C13 | H17 | 0.6° | 0.0° |
| C03 | N02 | C07 | C06 | 71.4° | 61.7° |
| C03 | N02 | C07 | C01 | 112.8° | 124.1° |
| C03 | N02 | C01 | H2 | 180.0° | 60.0° |
| C03 | N02 | C01 | H3 | 60.0° | 180.0° |
| C03 | N02 | C01 | H4 | 60.0° | 60.0° |
| N02 | C03 | H5 | H6 | 121.6° | 119.9° |
| N02 | C03 | C04 | H7 | 140.6° | 60.8° |
| N02 | C03 | C04 | H8 | 101.5° | 179.1° |
| C03 | N02 | C07 | H12 | 48.1° | 178.3° |
| C03 | N02 | C07 | H13 | 169.0° | 58.3° |
| C05 | C06 | C07 | H10 | 121.2° | 120.0° |
| C05 | C06 | C07 | H11 | 121.2° | 119.9° |
| C05 | C06 | C07 | N02 | 17.3° | 59.2° |
| C06 | C05 | C04 | H7 | 93.0° | 62.3° |
| C06 | C05 | C04 | H8 | 149.1° | 177.6° |
| C05 | C06 | H10 | H11 | 116.3° | 120.1° |
| C05 | C06 | C07 | H12 | 102.3° | 179.2° |
| C05 | C06 | C07 | H13 | 136.8° | 60.8° |
| C06 | C07 | N02 | H12 | 119.6° | 120.0° |
| C06 | C07 | N02 | H13 | 119.6° | 120.0° |
| C06 | C07 | N02 | C01 | 175.8° | 62.4° |
| C07 | C06 | C05 | H9 | 87.4° | 62.2° |
| C07 | C06 | H10 | H11 | 116.2° | 120.0° |
| C06 | C07 | H12 | H13 | 121.4° | 120.1° |
| C07 | N02 | C01 | H2 | 65.6° | 64.3° |
| C07 | N02 | C01 | H3 | 174.4° | 55.8° |
| C07 | N02 | C01 | H4 | 54.5° | 175.8° |
| C07 | N02 | C03 | H5 | 168.3° | 58.3° |
| C07 | N02 | C03 | H6 | 47.2° | 178.2° |
| N02 | C07 | C06 | H10 | 138.5° | 60.8° |
| N02 | C07 | C06 | H11 | 103.9° | 179.1° |
| N02 | C07 | H12 | H13 | 121.3° | 119.9° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | N02 | C03 | H5 | 55.7° | 177.6° |
| C01 | N02 | C03 | H6 | 65.4° | 57.7° |
| C01 | N02 | C07 | H12 | 64.7° | 57.6° |
| C01 | N02 | C07 | H13 | 56.2° | 177.6° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C03 | C04 | H7 | 99.9° | 179.2° |
| H5 | C03 | C04 | H8 | 18.0° | 59.1° |
| H6 | C03 | C04 | H7 | 21.2° | 59.3° |
| H6 | C03 | C04 | H8 | 139.0° | 60.8° |
| H7 | C04 | C05 | H9 | 150.0° | 177.8° |
| H8 | C04 | C05 | H9 | 32.1° | 57.7° |
| H9 | C05 | C06 | H10 | 151.4° | 177.8° |
| H9 | C05 | C06 | H11 | 33.7° | 57.7° |
| H10 | C06 | C07 | H12 | 18.9° | 59.2° |
| H10 | C06 | C07 | H13 | 102.0° | 179.3° |
| H11 | C06 | C07 | H12 | 136.5° | 60.9° |
| H11 | C06 | C07 | H13 | 15.6° | 59.2° |
| H14 | C09 | C10 | H15 | 1.5° | 0.0° |
| H16 | C12 | C13 | H17 | 1.2° | 0.0° |
| H21 | C26 | C27 | H22 | 0.2° | 0.0° |
| H22 | C27 | C28 | H23 | 0.1° | 0.1° |
| H23 | C28 | C29 | H24 | 0.1° | 0.1° |
| H26 | C34 | C35 | H27 | 0.2° | 0.0° |
| H27 | C35 | C36 | H28 | 0.3° | 0.3° |
| H29 | C39 | C40 | H30 | 0.4° | 0.2° |
