A1H5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.42Å | Aromatic |
| C39 | C34 | doub | 1.39Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.36Å | 1.37Å | Aromatic |
| C35 | C33 | sing | 1.49Å | 1.54Å | |
| C34 | N29 | sing | 1.40Å | 1.49Å | |
| O40 | C28 | doub | 1.22Å | 1.19Å | |
| C33 | C32 | sing | 1.54Å | 1.52Å | |
| N29 | C28 | sing | 1.34Å | 1.44Å | |
| N29 | N30 | sing | 1.40Å | 1.36Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C28 | C05 | sing | 1.47Å | 1.56Å | |
| C32 | C31 | sing | 1.56Å | 1.52Å | |
| F22 | C21 | sing | 1.35Å | 1.36Å | |
| N30 | C31 | sing | 1.45Å | 1.48Å | |
| N30 | C04 | sing | 1.37Å | 1.45Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | O17 | sing | 1.43Å | 1.40Å | |
| C21 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| O17 | C16 | sing | 1.36Å | 1.40Å | |
| C05 | C04 | doub | 1.36Å | 1.56Å | |
| C05 | N06 | sing | 1.41Å | 1.44Å | |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| O27 | C07 | doub | 1.21Å | 1.18Å | |
| N06 | C07 | sing | 1.35Å | 1.44Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C23 | CL24 | sing | 1.74Å | 1.78Å | |
| C23 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C25 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.47Å | 1.52Å | |
| C03 | O02 | sing | 1.43Å | 1.40Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| N13 | C14 | sing | 1.35Å | 1.44Å | |
| N13 | C12 | sing | 1.47Å | 1.44Å | |
| C14 | O26 | doub | 1.22Å | 1.18Å | |
| C12 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| N06 | H6 | sing | 0.97Å | 1.00Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N13 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C36 | 120.5° | 120.7° |
| C37 | C38 | C39 | 120.3° | 119.3° |
| C38 | C37 | H32 | 119.8° | 119.6° |
| C37 | C38 | H33 | 119.9° | 120.2° |
| C37 | C36 | C35 | 119.4° | 119.7° |
| C37 | C36 | H31 | 120.3° | 120.1° |
| C36 | C37 | H32 | 119.7° | 119.7° |
| C38 | C39 | C34 | 118.7° | 119.5° |
| C39 | C38 | H33 | 119.9° | 120.5° |
| C38 | C39 | H34 | 120.7° | 120.5° |
| C36 | C35 | C34 | 119.7° | 118.9° |
| C36 | C35 | C33 | 120.6° | 118.8° |
| C35 | C36 | H31 | 120.3° | 120.2° |
| C39 | C34 | C35 | 121.3° | 121.6° |
| C39 | C34 | N29 | 119.5° | 120.7° |
| C34 | C39 | H34 | 120.6° | 120.0° |
| C34 | C35 | C33 | 119.6° | 122.2° |
| C35 | C34 | N29 | 119.2° | 117.7° |
| C35 | C33 | C32 | 112.7° | 115.1° |
| C35 | C33 | H29 | 108.7° | 108.4° |
| C35 | C33 | H30 | 108.7° | 108.2° |
| C34 | N29 | C28 | 132.6° | 128.6° |
| C34 | N29 | N30 | 115.6° | 123.3° |
| O40 | C28 | N29 | 127.3° | 127.1° |
| O40 | C28 | C05 | 127.5° | 127.1° |
| C33 | C32 | C31 | 112.9° | 104.7° |
| C33 | C32 | H27 | 108.6° | 110.4° |
| C33 | C32 | H28 | 108.6° | 110.5° |
| C32 | C33 | H29 | 108.7° | 108.3° |
| C32 | C33 | H30 | 108.7° | 108.3° |
| C28 | N29 | N30 | 111.8° | 107.6° |
| N29 | C28 | C05 | 105.2° | 105.7° |
| N29 | N30 | C31 | 131.5° | 122.5° |
| N29 | N30 | C04 | 113.6° | 108.4° |
| C19 | C18 | O17 | 108.1° | 109.5° |
| C19 | C18 | H18 | 109.8° | 109.4° |
| C19 | C18 | H19 | 109.8° | 109.4° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C28 | C05 | C04 | 105.4° | 107.2° |
| C28 | C05 | N06 | 126.6° | 126.4° |
| C32 | C31 | N30 | 112.2° | 112.4° |
| C32 | C31 | H25 | 108.8° | 108.9° |
| C32 | C31 | H26 | 108.8° | 108.8° |
| C31 | C32 | H27 | 108.6° | 110.4° |
| C31 | C32 | H28 | 108.6° | 110.4° |
| F22 | C21 | C20 | 119.2° | 119.8° |
| F22 | C21 | C23 | 120.7° | 119.8° |
| C31 | N30 | C04 | 114.9° | 128.8° |
| N30 | C31 | H25 | 108.8° | 108.9° |
| N30 | C31 | H26 | 108.8° | 108.9° |
| N30 | C04 | C05 | 104.1° | 107.7° |
| N30 | C04 | C03 | 128.0° | 126.1° |
| C21 | C20 | C16 | 120.1° | 120.1° |
| C20 | C21 | C23 | 120.1° | 120.4° |
| C21 | C20 | H23 | 119.9° | 120.0° |
| C20 | C16 | O17 | 119.5° | 120.1° |
| C20 | C16 | C15 | 119.8° | 119.7° |
| C16 | C20 | H23 | 119.9° | 119.9° |
| C18 | O17 | C16 | 114.7° | 117.0° |
| O17 | C18 | H18 | 109.8° | 109.5° |
| O17 | C18 | H19 | 109.8° | 109.5° |
| C21 | C23 | CL24 | 120.6° | 119.9° |
| C21 | C23 | C25 | 119.9° | 120.2° |
| O17 | C16 | C15 | 120.7° | 120.2° |
| C04 | C05 | N06 | 128.1° | 126.4° |
| C05 | C04 | C03 | 127.9° | 126.1° |
| C05 | N06 | C07 | 119.6° | 120.0° |
| C05 | N06 | H6 | 120.2° | 120.0° |
| C16 | C15 | C25 | 120.0° | 119.7° |
| C16 | C15 | C14 | 120.8° | 120.1° |
| C04 | C03 | O02 | 108.1° | 109.5° |
| C04 | C03 | H4 | 109.8° | 109.5° |
| C04 | C03 | H5 | 109.8° | 109.5° |
| O27 | C07 | N06 | 119.6° | 120.0° |
| O27 | C07 | C08 | 120.5° | 120.0° |
| N06 | C07 | C08 | 119.9° | 120.0° |
| C07 | N06 | H6 | 120.2° | 120.0° |
| C07 | C08 | C09 | 113.0° | 109.4° |
| C07 | C08 | H7 | 108.6° | 109.5° |
| C07 | C08 | H8 | 108.6° | 109.5° |
| CL24 | C23 | C25 | 119.5° | 119.8° |
| C23 | C25 | C15 | 120.1° | 119.9° |
| C23 | C25 | H24 | 120.0° | 120.1° |
| C25 | C15 | C14 | 119.3° | 120.1° |
| C15 | C25 | H24 | 120.0° | 120.1° |
| C15 | C14 | N13 | 120.3° | 120.0° |
| C15 | C14 | O26 | 119.6° | 120.0° |
| C03 | O02 | C01 | 113.8° | 114.0° |
| O02 | C03 | H4 | 109.8° | 109.5° |
| O02 | C03 | H5 | 109.8° | 109.4° |
| C08 | C09 | C12 | 110.0° | 109.5° |
| C08 | C09 | C11 | 109.3° | 109.5° |
| C08 | C09 | C10 | 109.2° | 109.4° |
| C09 | C08 | H7 | 108.5° | 109.4° |
| C09 | C08 | H8 | 108.6° | 109.5° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.4° |
| C14 | N13 | C12 | 120.8° | 120.0° |
| N13 | C14 | O26 | 120.1° | 120.0° |
| C14 | N13 | H17 | 119.6° | 120.0° |
| N13 | C12 | C09 | 111.8° | 109.5° |
| N13 | C12 | H15 | 108.9° | 109.5° |
| N13 | C12 | H16 | 108.9° | 109.5° |
| C12 | N13 | H17 | 119.6° | 120.0° |
| C12 | C09 | C11 | 108.7° | 109.5° |
| C12 | C09 | C10 | 111.0° | 109.5° |
| C09 | C12 | H15 | 108.9° | 109.5° |
| C09 | C12 | H16 | 108.9° | 109.5° |
| C11 | C09 | C10 | 108.8° | 109.5° |
| C09 | C11 | H12 | 109.5° | 109.5° |
| C09 | C11 | H13 | 109.5° | 109.5° |
| C09 | C11 | H14 | 109.5° | 109.5° |
| C09 | C10 | H9 | 109.5° | 109.5° |
| C09 | C10 | H10 | 109.4° | 109.5° |
| C09 | C10 | H11 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.4° | 109.4° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H11 | 109.4° | 109.6° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.4° |
| H12 | C11 | H14 | 109.4° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H22 | 109.4° | 109.4° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.0° |
| H27 | C32 | H28 | 109.5° | 110.3° |
| H29 | C33 | H30 | 109.5° | 108.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C36 | H32 | 180.0° | 179.9° |
| C37 | C38 | C39 | H33 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.3° |
| C37 | C38 | C39 | C34 | 0.1° | 0.6° |
| C38 | C37 | C36 | H31 | 179.9° | 179.7° |
| C37 | C38 | C39 | H34 | 179.9° | 179.4° |
| C36 | C37 | C38 | C39 | 0.1° | 2.5° |
| C37 | C36 | C35 | H31 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.2° | 4.9° |
| C37 | C36 | C35 | C33 | 179.8° | 171.4° |
| C36 | C37 | C38 | H33 | 179.8° | 177.5° |
| C38 | C39 | C34 | H34 | 180.0° | 180.0° |
| C38 | C39 | C34 | C35 | 0.3° | 4.3° |
| C38 | C39 | C34 | N29 | 179.6° | 174.5° |
| C39 | C38 | C37 | H32 | 179.8° | 177.6° |
| C36 | C35 | C34 | C39 | 0.4° | 7.0° |
| C36 | C35 | C34 | C33 | 179.7° | 176.2° |
| C36 | C35 | C34 | N29 | 179.7° | 171.8° |
| C36 | C35 | C33 | C32 | 103.7° | 99.6° |
| C36 | C35 | C33 | H29 | 16.8° | 138.9° |
| C36 | C35 | C33 | H30 | 135.8° | 21.7° |
| C35 | C36 | C37 | H32 | 179.9° | 179.7° |
| C39 | C34 | C35 | N29 | 179.3° | 178.8° |
| C39 | C34 | C35 | C33 | 179.9° | 169.2° |
| C39 | C34 | N29 | C28 | 50.1° | 31.1° |
| C39 | C34 | N29 | N30 | 131.4° | 157.6° |
| C34 | C39 | C38 | H33 | 180.0° | 179.4° |
| C34 | C35 | C33 | C32 | 76.0° | 84.2° |
| C35 | C34 | N29 | C28 | 129.2° | 150.1° |
| C35 | C34 | N29 | N30 | 49.3° | 21.2° |
| C34 | C35 | C33 | H29 | 163.5° | 37.3° |
| C34 | C35 | C33 | H30 | 44.5° | 154.5° |
| C34 | C35 | C36 | H31 | 179.8° | 175.1° |
| C35 | C34 | C39 | H34 | 179.7° | 175.7° |
| C33 | C35 | C34 | N29 | 0.6° | 12.0° |
| C35 | C33 | C32 | H29 | 120.5° | 121.4° |
| C35 | C33 | C32 | H30 | 120.5° | 121.3° |
| C35 | C33 | C32 | C31 | 51.6° | 56.6° |
| C35 | C33 | C32 | H27 | 68.9° | 175.4° |
| C35 | C33 | C32 | H28 | 172.1° | 62.2° |
| C35 | C33 | H29 | H30 | 118.5° | 117.2° |
| C33 | C35 | C36 | H31 | 0.1° | 8.6° |
| C34 | N29 | C28 | O40 | 1.2° | 24.3° |
| C34 | N29 | C28 | N30 | 178.5° | 172.4° |
| C34 | N29 | C28 | C05 | 179.0° | 155.8° |
| C34 | N29 | N30 | C31 | 0.8° | 32.7° |
| C34 | N29 | N30 | C04 | 179.3° | 153.7° |
| N29 | C34 | C39 | H34 | 0.4° | 5.5° |
| O40 | C28 | N29 | C05 | 179.8° | 179.9° |
| O40 | C28 | N29 | N30 | 179.7° | 163.3° |
| O40 | C28 | C05 | C04 | 179.9° | 171.3° |
| O40 | C28 | C05 | N06 | 0.1° | 8.8° |
| C33 | C32 | C31 | H27 | 120.5° | 118.8° |
| C33 | C32 | C31 | H28 | 120.5° | 119.0° |
| C33 | C32 | C31 | N30 | 27.3° | 27.7° |
| C33 | C32 | C31 | H25 | 93.1° | 148.5° |
| C33 | C32 | C31 | H26 | 147.6° | 92.9° |
| C33 | C32 | H27 | H28 | 118.4° | 122.5° |
| C32 | C33 | H29 | H30 | 118.5° | 117.3° |
| C28 | N29 | N30 | C31 | 179.7° | 154.4° |
| C28 | N29 | N30 | C04 | 0.5° | 19.2° |
| N29 | C28 | C05 | C04 | 0.3° | 8.6° |
| N29 | C28 | C05 | N06 | 179.8° | 171.3° |
| N30 | N29 | C28 | C05 | 0.5° | 16.6° |
| N29 | N30 | C31 | C32 | 64.9° | 83.8° |
| N29 | N30 | C31 | C04 | 179.9° | 172.2° |
| N29 | N30 | C04 | C05 | 0.2° | 13.4° |
| N29 | N30 | C04 | C03 | 179.7° | 166.4° |
| N29 | N30 | C31 | H25 | 55.5° | 155.5° |
| N29 | N30 | C31 | H26 | 174.7° | 36.8° |
| C19 | C18 | O17 | H18 | 119.8° | 120.0° |
| C19 | C18 | O17 | H19 | 119.8° | 120.0° |
| C19 | C18 | O17 | C16 | 104.0° | 180.0° |
| C19 | C18 | H18 | H19 | 120.6° | 119.9° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H22 | 120.0° | 120.0° |
| C18 | C19 | H21 | H22 | 120.0° | 120.0° |
| C28 | C05 | C04 | N30 | 0.1° | 3.1° |
| C28 | C05 | C04 | N06 | 179.8° | 179.9° |
| C28 | C05 | C04 | C03 | 179.9° | 176.7° |
| C28 | C05 | N06 | C07 | 86.2° | 57.1° |
| C28 | C05 | N06 | H6 | 93.8° | 122.9° |
| C32 | C31 | N30 | H25 | 120.4° | 120.7° |
| C32 | C31 | N30 | H26 | 120.4° | 120.6° |
| C32 | C31 | N30 | C04 | 115.2° | 104.0° |
| C32 | C31 | H25 | H26 | 118.8° | 118.5° |
| C31 | C32 | H27 | H28 | 118.4° | 122.3° |
| C31 | C32 | C33 | H29 | 172.1° | 64.8° |
| C31 | C32 | C33 | H30 | 68.9° | 177.9° |
| F22 | C21 | C20 | C23 | 179.7° | 180.0° |
| F22 | C21 | C20 | C16 | 179.5° | 180.0° |
| F22 | C21 | C23 | CL24 | 0.1° | 0.0° |
| F22 | C21 | C23 | C25 | 179.7° | 180.0° |
| F22 | C21 | C20 | H23 | 0.5° | 0.1° |
| C31 | N30 | C04 | C05 | 179.9° | 159.7° |
| C31 | N30 | C04 | C03 | 0.1° | 20.6° |
| N30 | C31 | H25 | H26 | 118.8° | 118.6° |
| N30 | C31 | C32 | H27 | 147.8° | 91.0° |
| N30 | C31 | C32 | H28 | 93.3° | 146.7° |
| N30 | C04 | C05 | C03 | 180.0° | 179.7° |
| N30 | C04 | C05 | N06 | 179.9° | 177.0° |
| N30 | C04 | C03 | O02 | 115.3° | 179.8° |
| N30 | C04 | C03 | H4 | 4.5° | 59.7° |
| N30 | C04 | C03 | H5 | 124.9° | 60.3° |
| C04 | N30 | C31 | H25 | 124.4° | 16.7° |
| C04 | N30 | C31 | H26 | 5.2° | 135.4° |
| C21 | C20 | C16 | H23 | 180.0° | 179.9° |
| C21 | C20 | C16 | O17 | 179.9° | 180.0° |
| C21 | C20 | C16 | C15 | 0.8° | 0.1° |
| C20 | C21 | C23 | CL24 | 179.8° | 180.0° |
| C20 | C21 | C23 | C25 | 0.6° | 0.0° |
| C20 | C16 | O17 | C18 | 75.8° | 0.1° |
| C16 | C20 | C21 | C23 | 0.8° | 0.1° |
| C20 | C16 | O17 | C15 | 179.1° | 179.9° |
| C20 | C16 | C15 | C25 | 0.6° | 0.0° |
| C20 | C16 | C15 | C14 | 179.4° | 179.8° |
| C18 | O17 | C16 | C15 | 105.1° | 180.0° |
| O17 | C18 | H18 | H19 | 120.6° | 120.1° |
| O17 | C18 | C19 | H20 | 180.0° | 180.0° |
| O17 | C18 | C19 | H21 | 60.0° | 60.0° |
| O17 | C18 | C19 | H22 | 60.0° | 60.0° |
| C21 | C23 | CL24 | C25 | 179.6° | 180.0° |
| C21 | C23 | C25 | C15 | 0.4° | 0.0° |
| C23 | C21 | C20 | H23 | 179.2° | 179.9° |
| C21 | C23 | C25 | H24 | 179.6° | 179.8° |
| O17 | C16 | C15 | C25 | 179.7° | 180.0° |
| O17 | C16 | C15 | C14 | 0.3° | 0.3° |
| C16 | O17 | C18 | H18 | 136.2° | 60.0° |
| C16 | O17 | C18 | H19 | 15.8° | 60.0° |
| O17 | C16 | C20 | H23 | 0.1° | 0.1° |
| C04 | C05 | N06 | C07 | 94.0° | 122.8° |
| C05 | C04 | C03 | O02 | 64.7° | 0.1° |
| C05 | C04 | C03 | H4 | 175.5° | 120.0° |
| C05 | C04 | C03 | H5 | 55.1° | 120.0° |
| C04 | C05 | N06 | H6 | 86.0° | 57.2° |
| N06 | C05 | C04 | C03 | 0.1° | 3.2° |
| C05 | N06 | C07 | O27 | 0.1° | 5.0° |
| C05 | N06 | C07 | H6 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 179.7° | 175.0° |
| C16 | C15 | C25 | C23 | 0.4° | 0.0° |
| C16 | C15 | C25 | C14 | 180.0° | 179.7° |
| C16 | C15 | C14 | N13 | 14.6° | 179.8° |
| C16 | C15 | C14 | O26 | 165.7° | 0.3° |
| C15 | C16 | C20 | H23 | 179.2° | 180.0° |
| C16 | C15 | C25 | H24 | 179.6° | 179.7° |
| C04 | C03 | O02 | H4 | 119.8° | 120.1° |
| C04 | C03 | O02 | H5 | 119.8° | 120.0° |
| C04 | C03 | O02 | C01 | 167.7° | 180.0° |
| C04 | C03 | H4 | H5 | 120.6° | 120.0° |
| O27 | C07 | N06 | C08 | 179.8° | 180.0° |
| O27 | C07 | C08 | C09 | 84.2° | 0.0° |
| O27 | C07 | N06 | H6 | 179.9° | 175.0° |
| O27 | C07 | C08 | H7 | 155.3° | 120.0° |
| O27 | C07 | C08 | H8 | 36.3° | 120.0° |
| N06 | C07 | C08 | C09 | 96.0° | 180.0° |
| N06 | C07 | C08 | H7 | 24.5° | 60.0° |
| N06 | C07 | C08 | H8 | 143.5° | 60.0° |
| C07 | C08 | C09 | H7 | 120.5° | 119.9° |
| C07 | C08 | C09 | H8 | 120.5° | 120.0° |
| C07 | C08 | C09 | C12 | 59.6° | 180.0° |
| C07 | C08 | C09 | C11 | 59.5° | 60.0° |
| C07 | C08 | C09 | C10 | 178.4° | 60.0° |
| C08 | C07 | N06 | H6 | 0.3° | 5.0° |
| C07 | C08 | H7 | H8 | 118.4° | 120.0° |
| CL24 | C23 | C25 | C15 | 180.0° | 180.0° |
| CL24 | C23 | C25 | H24 | 0.0° | 0.2° |
| C23 | C25 | C15 | H24 | 180.0° | 179.7° |
| C23 | C25 | C15 | C14 | 179.6° | 179.7° |
| C25 | C15 | C14 | N13 | 165.4° | 0.0° |
| C25 | C15 | C14 | O26 | 14.3° | 180.0° |
| C15 | C14 | N13 | O26 | 179.7° | 179.9° |
| C15 | C14 | N13 | C12 | 179.7° | 180.0° |
| C15 | C14 | N13 | H17 | 0.3° | 0.1° |
| C14 | C15 | C25 | H24 | 0.4° | 0.0° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | H4 | H5 | 120.6° | 120.0° |
| C08 | C09 | C12 | N13 | 42.8° | 180.0° |
| C08 | C09 | C12 | C11 | 119.6° | 120.0° |
| C08 | C09 | C12 | C10 | 120.9° | 120.0° |
| C08 | C09 | C11 | C10 | 119.1° | 120.0° |
| C09 | C08 | H7 | H8 | 118.4° | 120.0° |
| C08 | C09 | C10 | H9 | 180.0° | 60.0° |
| C08 | C09 | C10 | H10 | 60.0° | 180.0° |
| C08 | C09 | C10 | H11 | 60.0° | 60.0° |
| C08 | C09 | C11 | H12 | 180.0° | 60.0° |
| C08 | C09 | C11 | H13 | 60.0° | 180.0° |
| C08 | C09 | C11 | H14 | 60.0° | 60.0° |
| C08 | C09 | C12 | H15 | 163.1° | 60.0° |
| C08 | C09 | C12 | H16 | 77.6° | 60.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | O02 | C03 | H4 | 72.6° | 60.0° |
| C01 | O02 | C03 | H5 | 47.8° | 60.0° |
| C14 | N13 | C12 | H17 | 180.0° | 179.9° |
| C14 | N13 | C12 | C09 | 101.5° | 180.0° |
| C14 | N13 | C12 | H15 | 18.8° | 60.1° |
| C14 | N13 | C12 | H16 | 138.1° | 59.9° |
| C12 | N13 | C14 | O26 | 0.0° | 0.1° |
| N13 | C12 | C09 | H15 | 120.3° | 120.0° |
| N13 | C12 | C09 | H16 | 120.4° | 120.0° |
| N13 | C12 | C09 | C11 | 162.3° | 60.0° |
| N13 | C12 | C09 | C10 | 78.1° | 60.0° |
| N13 | C12 | H15 | H16 | 119.0° | 120.0° |
| O26 | C14 | N13 | H17 | 180.0° | 180.0° |
| C12 | C09 | C11 | C10 | 120.9° | 120.0° |
| C12 | C09 | C08 | H7 | 179.8° | 60.0° |
| C12 | C09 | C08 | H8 | 60.9° | 60.0° |
| C12 | C09 | C10 | H9 | 58.6° | 180.0° |
| C12 | C09 | C10 | H10 | 178.7° | 60.0° |
| C12 | C09 | C10 | H11 | 61.4° | 59.9° |
| C12 | C09 | C11 | H12 | 60.1° | 60.0° |
| C12 | C09 | C11 | H13 | 60.0° | 60.0° |
| C12 | C09 | C11 | H14 | 180.0° | 180.0° |
| C09 | C12 | H15 | H16 | 118.9° | 120.0° |
| C09 | C12 | N13 | H17 | 78.4° | 0.0° |
| C11 | C09 | C08 | H7 | 61.0° | 60.0° |
| C11 | C09 | C08 | H8 | 179.9° | 180.0° |
| C11 | C09 | C10 | H9 | 60.9° | 60.0° |
| C11 | C09 | C10 | H10 | 59.2° | 60.0° |
| C11 | C09 | C10 | H11 | 179.2° | 179.9° |
| C09 | C11 | H12 | H13 | 120.0° | 120.0° |
| C09 | C11 | H12 | H14 | 120.0° | 120.0° |
| C09 | C11 | H13 | H14 | 120.0° | 120.1° |
| C11 | C09 | C12 | H15 | 77.3° | 60.0° |
| C11 | C09 | C12 | H16 | 42.0° | 180.0° |
| C10 | C09 | C08 | H7 | 57.8° | 180.0° |
| C10 | C09 | C08 | H8 | 61.1° | 60.0° |
| C09 | C10 | H9 | H10 | 120.0° | 120.0° |
| C09 | C10 | H9 | H11 | 120.0° | 120.0° |
| C09 | C10 | H10 | H11 | 120.0° | 119.9° |
| C10 | C09 | C11 | H12 | 60.9° | 180.0° |
| C10 | C09 | C11 | H13 | 179.1° | 60.0° |
| C10 | C09 | C11 | H14 | 59.1° | 60.0° |
| C10 | C09 | C12 | H15 | 42.2° | 180.0° |
| C10 | C09 | C12 | H16 | 161.5° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.1° |
| H12 | C11 | H13 | H14 | 120.0° | 119.9° |
| H15 | C12 | N13 | H17 | 161.2° | 120.0° |
| H16 | C12 | N13 | H17 | 41.9° | 120.0° |
| H18 | C18 | C19 | H20 | 60.2° | 60.0° |
| H18 | C18 | C19 | H21 | 59.8° | 180.0° |
| H18 | C18 | C19 | H22 | 179.8° | 60.0° |
| H19 | C18 | C19 | H20 | 60.2° | 60.0° |
| H19 | C18 | C19 | H21 | 179.8° | 60.0° |
| H19 | C18 | C19 | H22 | 59.8° | 179.9° |
| H20 | C19 | H21 | H22 | 120.0° | 119.9° |
| H25 | C31 | C32 | H27 | 27.4° | 29.7° |
| H25 | C31 | C32 | H28 | 146.3° | 92.6° |
| H26 | C31 | C32 | H27 | 91.8° | 148.3° |
| H26 | C31 | C32 | H28 | 27.1° | 26.1° |
| H27 | C32 | C33 | H29 | 51.6° | 54.0° |
| H27 | C32 | C33 | H30 | 170.6° | 63.3° |
| H28 | C32 | C33 | H29 | 67.4° | 176.4° |
| H28 | C32 | C33 | H30 | 51.6° | 59.1° |
| H31 | C36 | C37 | H32 | 0.1° | 0.3° |
| H32 | C37 | C38 | H33 | 0.2° | 2.4° |
| H33 | C38 | C39 | H34 | 0.1° | 0.5° |
