A1B7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | N33 | sing | 1.47Å | 1.47Å | |
| C34 | N33 | sing | 1.47Å | 1.46Å | |
| C34 | C35 | sing | 1.54Å | 1.52Å | |
| N33 | C32 | sing | 1.48Å | 1.48Å | |
| C35 | C36 | sing | 1.55Å | 1.52Å | |
| C32 | C36 | sing | 1.55Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| O30 | C31 | sing | 1.43Å | 1.42Å | |
| O30 | C4 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C2 | sing | 1.50Å | 1.50Å | |
| C10 | N9 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | doub | 1.37Å | 1.38Å | Aromatic |
| N5 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | N9 | sing | 1.39Å | 1.39Å | |
| C20 | C25 | doub | 1.41Å | 1.40Å | Aromatic |
| N9 | C8 | sing | 1.47Å | 1.45Å | |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.50Å | 1.52Å | |
| C6 | N11 | sing | 1.39Å | 1.41Å | |
| C24 | C25 | sing | 1.42Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C12 | N11 | sing | 1.47Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C25 | C29 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.39Å | Aromatic |
| N11 | C16 | sing | 1.47Å | 1.47Å | |
| C13 | N14 | sing | 1.47Å | 1.48Å | |
| C29 | CL1 | sing | 1.74Å | 1.79Å | |
| C29 | C28 | doub | 1.36Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| F42 | C19 | sing | 1.35Å | 1.32Å | |
| N14 | C15 | sing | 1.47Å | 1.46Å | |
| N14 | C17 | sing | 1.35Å | 1.33Å | |
| C38 | C15 | sing | 1.53Å | 1.52Å | |
| C38 | C40 | sing | 1.47Å | 1.46Å | |
| C19 | C17 | sing | 1.47Å | 1.46Å | |
| C19 | C39 | doub | 1.33Å | 1.32Å | |
| C40 | N41 | trip | 1.14Å | 1.15Å | |
| C17 | O18 | doub | 1.22Å | 1.22Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | N33 | C34 | 107.8° | 111.0° |
| C37 | N33 | C32 | 108.1° | 111.0° |
| N33 | C37 | H29 | 109.5° | 109.5° |
| N33 | C37 | H30 | 109.5° | 109.5° |
| N33 | C37 | H31 | 109.5° | 109.5° |
| N33 | C34 | C35 | 104.5° | 107.2° |
| C34 | N33 | C32 | 108.9° | 108.6° |
| N33 | C34 | H23 | 110.7° | 109.9° |
| N33 | C34 | H24 | 110.7° | 109.9° |
| C34 | C35 | C36 | 104.6° | 103.0° |
| C35 | C34 | H23 | 110.7° | 109.8° |
| C35 | C34 | H24 | 110.7° | 109.9° |
| C34 | C35 | H25 | 110.7° | 110.7° |
| C34 | C35 | H26 | 110.7° | 110.7° |
| N33 | C32 | C36 | 107.2° | 104.8° |
| N33 | C32 | C31 | 112.0° | 110.4° |
| N33 | C32 | H22 | 109.8° | 110.5° |
| C35 | C36 | C32 | 104.2° | 101.6° |
| C36 | C35 | H25 | 110.7° | 110.7° |
| C36 | C35 | H26 | 110.7° | 110.7° |
| C35 | C36 | H27 | 110.8° | 111.0° |
| C35 | C36 | H28 | 110.8° | 111.0° |
| C36 | C32 | C31 | 109.4° | 110.4° |
| C36 | C32 | H22 | 109.2° | 110.4° |
| C32 | C36 | H27 | 110.8° | 111.0° |
| C32 | C36 | H28 | 110.8° | 111.0° |
| C32 | C31 | O30 | 108.1° | 109.5° |
| C32 | C31 | H20 | 109.8° | 109.5° |
| C32 | C31 | H21 | 109.8° | 109.5° |
| C31 | C32 | H22 | 109.2° | 110.3° |
| C31 | O30 | C4 | 122.4° | 117.0° |
| O30 | C31 | H20 | 109.8° | 109.5° |
| O30 | C31 | H21 | 109.8° | 109.5° |
| O30 | C4 | N3 | 118.7° | 119.2° |
| O30 | C4 | N5 | 120.7° | 119.1° |
| C4 | N3 | C2 | 120.7° | 121.1° |
| N3 | C4 | N5 | 120.6° | 121.7° |
| N3 | C2 | C10 | 117.7° | 119.1° |
| N3 | C2 | C1 | 120.7° | 119.0° |
| C4 | N5 | C6 | 121.0° | 120.4° |
| C21 | C22 | C23 | 117.7° | 121.1° |
| C22 | C21 | C20 | 122.2° | 120.7° |
| C22 | C21 | H10 | 118.9° | 119.7° |
| C21 | C22 | H11 | 121.1° | 119.4° |
| C22 | C23 | C24 | 121.1° | 120.0° |
| C23 | C22 | H11 | 121.2° | 119.4° |
| C22 | C23 | H18 | 119.5° | 120.0° |
| C21 | C20 | N9 | 111.7° | 120.2° |
| C21 | C20 | C25 | 120.6° | 119.5° |
| C20 | C21 | H10 | 118.9° | 119.7° |
| C2 | C10 | N9 | 115.3° | 110.4° |
| C10 | C2 | C1 | 121.6° | 121.8° |
| C2 | C10 | H5 | 108.0° | 109.3° |
| C2 | C10 | H6 | 108.0° | 109.3° |
| C10 | N9 | C20 | 113.1° | 111.0° |
| C10 | N9 | C8 | 121.8° | 110.4° |
| N9 | C10 | H5 | 108.0° | 109.3° |
| N9 | C10 | H6 | 108.0° | 109.3° |
| C2 | C1 | C6 | 118.3° | 118.6° |
| C2 | C1 | C7 | 117.7° | 122.0° |
| N5 | C6 | C1 | 118.8° | 119.1° |
| N5 | C6 | N11 | 115.3° | 120.5° |
| C23 | C24 | C25 | 122.2° | 119.5° |
| C23 | C24 | C26 | 116.9° | 121.2° |
| C24 | C23 | H18 | 119.4° | 120.0° |
| N9 | C20 | C25 | 127.5° | 120.3° |
| C20 | N9 | C8 | 123.5° | 111.0° |
| C20 | C25 | C24 | 116.2° | 119.3° |
| C20 | C25 | C29 | 125.8° | 121.3° |
| N9 | C8 | C7 | 107.2° | 108.5° |
| N9 | C8 | H3 | 110.1° | 109.7° |
| N9 | C8 | H4 | 110.1° | 109.8° |
| C6 | C1 | C7 | 124.0° | 119.4° |
| C1 | C6 | N11 | 125.9° | 120.5° |
| C1 | C7 | C8 | 115.6° | 109.8° |
| C1 | C7 | H1 | 107.9° | 109.4° |
| C1 | C7 | H2 | 107.9° | 109.3° |
| C6 | N11 | C12 | 120.2° | 111.0° |
| C6 | N11 | C16 | 124.6° | 111.0° |
| C25 | C24 | C26 | 120.8° | 119.3° |
| C24 | C25 | C29 | 118.0° | 119.4° |
| C24 | C26 | C27 | 120.7° | 119.6° |
| C24 | C26 | H12 | 119.7° | 120.2° |
| C8 | C7 | H1 | 107.9° | 109.5° |
| C8 | C7 | H2 | 107.9° | 109.4° |
| C7 | C8 | H3 | 110.0° | 109.6° |
| C7 | C8 | H4 | 110.0° | 109.6° |
| N11 | C12 | C13 | 102.4° | 109.3° |
| C12 | N11 | C16 | 115.0° | 111.3° |
| N11 | C12 | H14 | 111.2° | 109.5° |
| N11 | C12 | H15 | 111.2° | 109.5° |
| C12 | C13 | N14 | 113.6° | 108.5° |
| C12 | C13 | H7 | 108.4° | 109.6° |
| C12 | C13 | H8 | 108.4° | 109.8° |
| C13 | C12 | H14 | 111.2° | 109.5° |
| C13 | C12 | H15 | 111.2° | 109.5° |
| C25 | C29 | CL1 | 125.2° | 120.2° |
| C25 | C29 | C28 | 120.5° | 119.6° |
| C26 | C27 | C28 | 120.0° | 121.0° |
| C27 | C26 | H12 | 119.6° | 120.2° |
| C26 | C27 | H19 | 120.0° | 119.5° |
| N11 | C16 | C15 | 106.2° | 109.3° |
| N11 | C16 | H16 | 110.3° | 109.5° |
| N11 | C16 | H17 | 110.3° | 109.5° |
| C13 | N14 | C15 | 115.7° | 118.2° |
| C13 | N14 | C17 | 128.9° | 120.9° |
| N14 | C13 | H7 | 108.4° | 109.6° |
| N14 | C13 | H8 | 108.4° | 109.6° |
| CL1 | C29 | C28 | 114.3° | 120.2° |
| C29 | C28 | C27 | 120.0° | 121.0° |
| C29 | C28 | H13 | 120.0° | 119.5° |
| C27 | C28 | H13 | 120.0° | 119.6° |
| C28 | C27 | H19 | 120.0° | 119.5° |
| C16 | C15 | N14 | 109.3° | 108.5° |
| C16 | C15 | C38 | 113.3° | 109.6° |
| C16 | C15 | H9 | 110.0° | 109.7° |
| C15 | C16 | H16 | 110.3° | 109.5° |
| C15 | C16 | H17 | 110.3° | 109.5° |
| F42 | C19 | C17 | 122.2° | 120.0° |
| F42 | C19 | C39 | 118.9° | 120.1° |
| C15 | N14 | C17 | 115.0° | 120.9° |
| N14 | C15 | C38 | 103.5° | 109.8° |
| N14 | C15 | H9 | 110.8° | 109.6° |
| N14 | C17 | C19 | 122.0° | 120.0° |
| N14 | C17 | O18 | 120.3° | 120.0° |
| C15 | C38 | C40 | 110.4° | 109.5° |
| C38 | C15 | H9 | 109.9° | 109.6° |
| C15 | C38 | H32 | 109.2° | 109.4° |
| C15 | C38 | H33 | 109.3° | 109.5° |
| C38 | C40 | N41 | 176.2° | 179.9° |
| C40 | C38 | H32 | 109.2° | 109.4° |
| C40 | C38 | H33 | 109.2° | 109.5° |
| C17 | C19 | C39 | 118.8° | 120.0° |
| C19 | C17 | O18 | 117.5° | 120.0° |
| C19 | C39 | H34 | 120.0° | 120.0° |
| C19 | C39 | H35 | 120.0° | 120.0° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H3 | C8 | H4 | 109.4° | 109.6° |
| H5 | C10 | H6 | 109.5° | 109.2° |
| H7 | C13 | H8 | 109.5° | 109.6° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H20 | C31 | H21 | 109.4° | 109.4° |
| H23 | C34 | H24 | 109.5° | 110.0° |
| H25 | C35 | H26 | 109.5° | 110.8° |
| H27 | C36 | H28 | 109.5° | 110.9° |
| H29 | C37 | H30 | 109.5° | 109.5° |
| H29 | C37 | H31 | 109.5° | 109.5° |
| H30 | C37 | H31 | 109.5° | 109.4° |
| H32 | C38 | H33 | 109.5° | 109.5° |
| H34 | C39 | H35 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | N33 | C34 | C32 | 117.1° | 122.3° |
| C37 | N33 | C34 | C35 | 93.2° | 123.3° |
| C37 | N33 | C32 | C36 | 111.1° | 146.4° |
| C37 | N33 | C32 | C31 | 128.8° | 94.8° |
| C37 | N33 | C32 | H22 | 7.4° | 27.5° |
| C37 | N33 | C34 | H23 | 26.1° | 117.4° |
| C37 | N33 | C34 | H24 | 147.6° | 3.8° |
| N33 | C37 | H29 | H30 | 120.0° | 120.0° |
| N33 | C37 | H29 | H31 | 120.0° | 120.0° |
| N33 | C37 | H30 | H31 | 120.0° | 120.0° |
| N33 | C34 | C35 | H23 | 119.2° | 119.4° |
| N33 | C34 | C35 | H24 | 119.2° | 119.5° |
| N33 | C34 | C35 | C36 | 32.7° | 22.3° |
| C34 | N33 | C32 | C36 | 5.7° | 24.1° |
| C34 | N33 | C32 | C31 | 114.3° | 142.9° |
| C34 | N33 | C32 | H22 | 124.2° | 94.8° |
| N33 | C34 | H23 | H24 | 122.2° | 121.1° |
| N33 | C34 | C35 | H25 | 86.5° | 96.1° |
| N33 | C34 | C35 | H26 | 151.9° | 140.6° |
| C34 | N33 | C37 | H29 | 180.0° | 60.1° |
| C34 | N33 | C37 | H30 | 60.0° | 179.9° |
| C34 | N33 | C37 | H31 | 60.0° | 59.9° |
| C35 | C34 | N33 | C32 | 23.9° | 1.0° |
| C34 | C35 | C36 | H25 | 119.2° | 118.3° |
| C34 | C35 | C36 | H26 | 119.2° | 118.4° |
| C34 | C35 | C36 | C32 | 28.9° | 35.7° |
| C35 | C34 | H23 | H24 | 122.3° | 121.1° |
| C34 | C35 | H25 | H26 | 122.2° | 123.2° |
| C34 | C35 | C36 | H27 | 148.1° | 82.4° |
| C34 | C35 | C36 | H28 | 90.2° | 153.8° |
| N33 | C32 | C36 | C35 | 14.8° | 37.1° |
| N33 | C32 | C36 | C31 | 121.7° | 118.8° |
| N33 | C32 | C36 | H22 | 118.9° | 118.9° |
| N33 | C32 | C31 | H22 | 121.8° | 122.4° |
| N33 | C32 | C31 | O30 | 49.3° | 69.6° |
| N33 | C32 | C31 | H20 | 70.5° | 170.3° |
| N33 | C32 | C31 | H21 | 169.1° | 50.4° |
| C32 | N33 | C34 | H23 | 143.1° | 120.4° |
| C32 | N33 | C34 | H24 | 95.3° | 118.4° |
| N33 | C32 | C36 | H27 | 133.9° | 81.0° |
| N33 | C32 | C36 | H28 | 104.4° | 155.2° |
| C32 | N33 | C37 | H29 | 62.4° | 60.7° |
| C32 | N33 | C37 | H30 | 177.6° | 59.3° |
| C32 | N33 | C37 | H31 | 57.6° | 179.2° |
| C35 | C36 | C32 | H27 | 119.2° | 118.1° |
| C35 | C36 | C32 | H28 | 119.2° | 118.1° |
| C35 | C36 | C32 | C31 | 136.5° | 155.9° |
| C35 | C36 | C32 | H22 | 104.1° | 81.9° |
| C36 | C35 | C34 | H23 | 151.9° | 97.1° |
| C36 | C35 | C34 | H24 | 86.5° | 141.7° |
| C36 | C35 | H25 | H26 | 122.3° | 123.2° |
| C35 | C36 | H27 | H28 | 122.5° | 123.9° |
| C36 | C32 | C31 | H22 | 119.5° | 122.3° |
| C36 | C32 | C31 | O30 | 69.5° | 175.0° |
| C36 | C32 | C31 | H20 | 170.7° | 55.0° |
| C36 | C32 | C31 | H21 | 50.3° | 65.0° |
| C32 | C36 | C35 | H25 | 90.3° | 82.7° |
| C32 | C36 | C35 | H26 | 148.1° | 154.0° |
| C32 | C36 | H27 | H28 | 122.4° | 123.9° |
| C32 | C31 | O30 | H20 | 119.8° | 120.0° |
| C32 | C31 | O30 | H21 | 119.8° | 120.0° |
| C32 | C31 | O30 | C4 | 174.3° | 180.0° |
| C32 | C31 | H20 | H21 | 120.6° | 120.0° |
| C31 | C32 | C36 | H27 | 104.4° | 37.8° |
| C31 | C32 | C36 | H28 | 17.3° | 86.0° |
| C31 | O30 | C4 | N3 | 170.8° | 0.0° |
| C31 | O30 | C4 | N5 | 10.1° | 180.0° |
| O30 | C31 | H20 | H21 | 120.6° | 120.0° |
| O30 | C31 | C32 | H22 | 171.1° | 52.7° |
| O30 | C4 | N3 | N5 | 179.1° | 180.0° |
| O30 | C4 | N3 | C2 | 179.1° | 180.0° |
| O30 | C4 | N5 | C6 | 179.4° | 179.9° |
| C4 | O30 | C31 | H20 | 54.5° | 60.0° |
| C4 | O30 | C31 | H21 | 65.9° | 60.0° |
| C4 | N3 | C2 | C10 | 179.9° | 179.7° |
| C4 | N3 | C2 | C1 | 0.5° | 0.2° |
| N3 | C4 | N5 | C6 | 0.3° | 0.1° |
| C2 | N3 | C4 | N5 | 0.0° | 0.0° |
| N3 | C2 | C10 | C1 | 179.4° | 179.9° |
| N3 | C2 | C10 | N9 | 172.4° | 162.6° |
| N3 | C2 | C1 | C6 | 1.3° | 0.2° |
| N3 | C2 | C1 | C7 | 179.9° | 179.6° |
| N3 | C2 | C10 | H5 | 66.7° | 42.3° |
| N3 | C2 | C10 | H6 | 51.6° | 77.1° |
| C4 | N5 | C6 | C1 | 1.0° | 0.0° |
| C4 | N5 | C6 | N11 | 178.9° | 180.0° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C22 | C21 | C20 | H10 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C22 | C21 | C20 | N9 | 176.5° | 180.0° |
| C22 | C21 | C20 | C25 | 1.4° | 0.2° |
| C21 | C22 | C23 | H18 | 179.6° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C24 | H18 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.2° |
| C22 | C23 | C24 | C26 | 179.8° | 179.7° |
| C23 | C22 | C21 | H10 | 179.8° | 180.0° |
| C21 | C20 | N9 | C10 | 105.3° | 64.2° |
| C21 | C20 | N9 | C25 | 174.7° | 179.8° |
| C21 | C20 | N9 | C8 | 60.5° | 58.9° |
| C21 | C20 | C25 | C24 | 1.9° | 0.4° |
| C21 | C20 | C25 | C29 | 179.8° | 179.8° |
| C20 | C21 | C22 | H11 | 179.9° | 180.0° |
| C2 | C10 | N9 | H5 | 120.9° | 120.3° |
| C2 | C10 | N9 | H6 | 120.8° | 120.3° |
| C2 | C10 | N9 | C20 | 175.8° | 175.9° |
| C2 | C10 | N9 | C8 | 18.1° | 52.5° |
| C10 | C2 | C1 | C6 | 179.3° | 179.6° |
| C10 | C2 | C1 | C7 | 0.7° | 0.5° |
| C2 | C10 | H5 | H6 | 117.3° | 119.5° |
| N9 | C10 | C2 | C1 | 7.0° | 17.6° |
| C10 | N9 | C20 | C8 | 165.8° | 123.1° |
| C10 | N9 | C20 | C25 | 69.4° | 116.0° |
| C10 | N9 | C8 | C7 | 45.5° | 71.1° |
| C10 | N9 | C8 | H3 | 165.2° | 48.6° |
| C10 | N9 | C8 | H4 | 74.1° | 169.1° |
| N9 | C10 | H5 | H6 | 117.3° | 119.5° |
| C2 | C1 | C6 | N5 | 1.5° | 0.1° |
| C2 | C1 | C6 | C7 | 178.6° | 179.8° |
| C2 | C1 | C6 | N11 | 178.4° | 179.8° |
| C2 | C1 | C7 | C8 | 31.5° | 16.8° |
| C2 | C1 | C7 | H1 | 152.4° | 103.3° |
| C2 | C1 | C7 | H2 | 89.4° | 136.9° |
| C1 | C2 | C10 | H5 | 113.9° | 137.8° |
| C1 | C2 | C10 | H6 | 127.8° | 102.8° |
| N5 | C6 | C1 | N11 | 179.9° | 180.0° |
| N5 | C6 | C1 | C7 | 179.9° | 179.7° |
| N5 | C6 | N11 | C12 | 34.1° | 58.6° |
| N5 | C6 | N11 | C16 | 141.4° | 65.6° |
| C23 | C24 | C25 | C20 | 1.3° | 0.4° |
| C23 | C24 | C25 | C26 | 179.7° | 179.5° |
| C23 | C24 | C25 | C29 | 179.4° | 179.8° |
| C23 | C24 | C26 | C27 | 179.6° | 179.5° |
| C24 | C23 | C22 | H11 | 179.5° | 180.0° |
| C23 | C24 | C26 | H12 | 0.4° | 0.6° |
| N9 | C20 | C25 | C24 | 176.1° | 179.8° |
| C20 | N9 | C8 | C7 | 149.8° | 165.4° |
| N9 | C20 | C25 | C29 | 5.9° | 0.0° |
| C20 | N9 | C8 | H3 | 30.1° | 74.9° |
| C20 | N9 | C8 | H4 | 90.5° | 45.7° |
| C20 | N9 | C10 | H5 | 54.9° | 63.8° |
| C20 | N9 | C10 | H6 | 63.4° | 55.6° |
| N9 | C20 | C21 | H10 | 3.5° | 0.0° |
| C25 | C20 | N9 | C8 | 124.8° | 120.8° |
| C20 | C25 | C24 | C29 | 178.1° | 179.8° |
| C20 | C25 | C24 | C26 | 179.1° | 179.9° |
| C20 | C25 | C29 | CL1 | 0.4° | 0.0° |
| C20 | C25 | C29 | C28 | 178.8° | 180.0° |
| C25 | C20 | C21 | H10 | 178.6° | 179.8° |
| N9 | C8 | C7 | C1 | 51.2° | 50.1° |
| N9 | C8 | C7 | H3 | 119.7° | 119.7° |
| N9 | C8 | C7 | H4 | 119.7° | 119.9° |
| N9 | C8 | C7 | H1 | 172.1° | 70.0° |
| N9 | C8 | C7 | H2 | 69.7° | 170.1° |
| N9 | C8 | H3 | H4 | 121.1° | 120.6° |
| C8 | N9 | C10 | H5 | 138.9° | 172.7° |
| C8 | N9 | C10 | H6 | 102.8° | 67.8° |
| C6 | C1 | C7 | C8 | 150.0° | 163.3° |
| C1 | C6 | N11 | C12 | 146.0° | 121.3° |
| C1 | C6 | N11 | C16 | 38.5° | 114.4° |
| C6 | C1 | C7 | H1 | 29.1° | 76.5° |
| C6 | C1 | C7 | H2 | 89.1° | 43.3° |
| C7 | C1 | C6 | N11 | 0.2° | 0.3° |
| C1 | C7 | C8 | H1 | 120.9° | 120.1° |
| C1 | C7 | C8 | H2 | 120.9° | 119.9° |
| C1 | C7 | H1 | H2 | 117.2° | 119.7° |
| C1 | C7 | C8 | H3 | 170.9° | 69.6° |
| C1 | C7 | C8 | H4 | 68.5° | 170.1° |
| C6 | N11 | C12 | C16 | 175.9° | 124.1° |
| C6 | N11 | C12 | C13 | 109.9° | 172.8° |
| C6 | N11 | C16 | C15 | 106.1° | 172.7° |
| C6 | N11 | C12 | H14 | 131.3° | 67.3° |
| C6 | N11 | C12 | H15 | 8.9° | 52.8° |
| C6 | N11 | C16 | H16 | 13.4° | 52.8° |
| C6 | N11 | C16 | H17 | 134.4° | 67.2° |
| C25 | C24 | C26 | C27 | 0.7° | 0.0° |
| C24 | C25 | C29 | CL1 | 177.4° | 179.8° |
| C24 | C25 | C29 | C28 | 0.9° | 0.2° |
| C25 | C24 | C26 | H12 | 179.3° | 179.9° |
| C25 | C24 | C23 | H18 | 179.9° | 179.8° |
| C26 | C24 | C25 | C29 | 1.0° | 0.2° |
| C24 | C26 | C27 | H12 | 180.0° | 179.9° |
| C24 | C26 | C27 | C28 | 0.3° | 0.2° |
| C26 | C24 | C23 | H18 | 0.2° | 0.3° |
| C24 | C26 | C27 | H19 | 179.7° | 180.0° |
| C8 | C7 | H1 | H2 | 117.3° | 119.9° |
| C7 | C8 | H3 | H4 | 121.0° | 120.3° |
| N11 | C12 | C13 | H14 | 118.8° | 119.9° |
| N11 | C12 | C13 | H15 | 118.8° | 119.9° |
| N11 | C12 | C13 | N14 | 52.9° | 53.8° |
| C12 | N11 | C16 | C15 | 69.6° | 63.1° |
| N11 | C12 | C13 | H7 | 173.5° | 65.9° |
| N11 | C12 | C13 | H8 | 67.7° | 173.6° |
| N11 | C12 | H14 | H15 | 123.3° | 120.1° |
| C12 | N11 | C16 | H16 | 170.9° | 176.9° |
| C12 | N11 | C16 | H17 | 49.9° | 56.9° |
| C13 | C12 | N11 | C16 | 66.0° | 63.1° |
| C12 | C13 | N14 | H7 | 120.6° | 119.7° |
| C12 | C13 | N14 | H8 | 120.6° | 119.9° |
| C12 | C13 | N14 | C15 | 50.0° | 51.2° |
| C12 | C13 | N14 | C17 | 138.1° | 128.8° |
| C12 | C13 | H7 | H8 | 118.1° | 120.6° |
| C13 | C12 | H14 | H15 | 123.3° | 120.1° |
| C25 | C29 | CL1 | C28 | 178.4° | 180.0° |
| C25 | C29 | C28 | C27 | 0.5° | 0.0° |
| C25 | C29 | C28 | H13 | 179.6° | 179.7° |
| C26 | C27 | C28 | C29 | 0.2° | 0.3° |
| C26 | C27 | C28 | H19 | 180.0° | 179.8° |
| C26 | C27 | C28 | H13 | 179.9° | 180.0° |
| N11 | C16 | C15 | H16 | 119.5° | 119.9° |
| N11 | C16 | C15 | H17 | 119.5° | 120.0° |
| N11 | C16 | C15 | N14 | 54.7° | 53.8° |
| N11 | C16 | C15 | C38 | 60.1° | 173.8° |
| N11 | C16 | C15 | H9 | 176.5° | 65.8° |
| C16 | N11 | C12 | H14 | 52.8° | 56.8° |
| C16 | N11 | C12 | H15 | 175.1° | 176.9° |
| N11 | C16 | H16 | H17 | 121.5° | 120.0° |
| C13 | N14 | C15 | C16 | 49.2° | 51.2° |
| C13 | N14 | C15 | C17 | 173.0° | 180.0° |
| C13 | N14 | C15 | C38 | 71.7° | 171.0° |
| C13 | N14 | C17 | C19 | 17.8° | 7.5° |
| C13 | N14 | C17 | O18 | 157.5° | 172.5° |
| N14 | C13 | H7 | H8 | 118.1° | 120.4° |
| C13 | N14 | C15 | H9 | 170.6° | 68.5° |
| N14 | C13 | C12 | H14 | 65.9° | 66.1° |
| N14 | C13 | C12 | H15 | 171.8° | 173.8° |
| CL1 | C29 | C28 | C27 | 178.0° | 180.0° |
| CL1 | C29 | C28 | H13 | 2.0° | 0.3° |
| C29 | C28 | C27 | H13 | 180.0° | 179.7° |
| C29 | C28 | C27 | H19 | 179.8° | 180.0° |
| C28 | C27 | C26 | H12 | 179.8° | 179.7° |
| C16 | C15 | N14 | C38 | 120.9° | 119.8° |
| C16 | C15 | N14 | H9 | 121.4° | 119.7° |
| C16 | C15 | N14 | C17 | 137.8° | 128.8° |
| C16 | C15 | C38 | H9 | 123.5° | 120.5° |
| C16 | C15 | C38 | C40 | 68.4° | 168.3° |
| C15 | C16 | H16 | H17 | 121.5° | 120.1° |
| C16 | C15 | C38 | H32 | 171.5° | 71.7° |
| C16 | C15 | C38 | H33 | 51.7° | 48.3° |
| F42 | C19 | C17 | N14 | 22.5° | 7.5° |
| F42 | C19 | C17 | C39 | 177.7° | 180.0° |
| F42 | C19 | C17 | O18 | 152.9° | 172.5° |
| F42 | C19 | C39 | H34 | 177.8° | 180.0° |
| F42 | C19 | C39 | H35 | 2.2° | 0.0° |
| N14 | C15 | C38 | H9 | 118.3° | 120.4° |
| N14 | C15 | C38 | C40 | 173.4° | 72.6° |
| C15 | N14 | C17 | C19 | 170.3° | 172.5° |
| C15 | N14 | C17 | O18 | 14.4° | 7.5° |
| C15 | N14 | C13 | H7 | 170.6° | 68.5° |
| C15 | N14 | C13 | H8 | 70.6° | 171.1° |
| N14 | C15 | C16 | H16 | 174.2° | 173.8° |
| N14 | C15 | C16 | H17 | 64.8° | 66.2° |
| N14 | C15 | C38 | H32 | 53.3° | 47.4° |
| N14 | C15 | C38 | H33 | 66.5° | 167.4° |
| C17 | N14 | C15 | C38 | 101.3° | 9.0° |
| N14 | C17 | C19 | O18 | 175.4° | 180.0° |
| N14 | C17 | C19 | C39 | 159.7° | 172.6° |
| C17 | N14 | C13 | H7 | 17.5° | 111.5° |
| C17 | N14 | C13 | H8 | 101.3° | 8.9° |
| C17 | N14 | C15 | H9 | 16.4° | 111.5° |
| C15 | C38 | C40 | H32 | 120.1° | 119.9° |
| C15 | C38 | C40 | H33 | 120.2° | 120.0° |
| C15 | C38 | C40 | N41 | 162.0° | 128.9° |
| C38 | C15 | C16 | H16 | 59.4° | 66.3° |
| C38 | C15 | C16 | H17 | 179.5° | 53.8° |
| C15 | C38 | H32 | H33 | 119.6° | 120.0° |
| C40 | C38 | C15 | H9 | 55.1° | 47.9° |
| C40 | C38 | H32 | H33 | 119.5° | 120.1° |
| C17 | C19 | C39 | H34 | 0.0° | 0.0° |
| C17 | C19 | C39 | H35 | 180.0° | 180.0° |
| C39 | C19 | C17 | O18 | 24.9° | 7.5° |
| C19 | C39 | H34 | H35 | 180.0° | 180.0° |
| N41 | C40 | C38 | H32 | 77.8° | 111.1° |
| N41 | C40 | C38 | H33 | 41.9° | 8.9° |
| H1 | C7 | C8 | H3 | 68.2° | 170.3° |
| H1 | C7 | C8 | H4 | 52.4° | 49.9° |
| H2 | C7 | C8 | H3 | 50.0° | 50.3° |
| H2 | C7 | C8 | H4 | 170.7° | 70.0° |
| H7 | C13 | C12 | H14 | 54.7° | 174.2° |
| H7 | C13 | C12 | H15 | 67.6° | 54.0° |
| H8 | C13 | C12 | H14 | 173.5° | 53.7° |
| H8 | C13 | C12 | H15 | 51.2° | 66.4° |
| H9 | C15 | C16 | H16 | 64.0° | 54.1° |
| H9 | C15 | C16 | H17 | 57.1° | 174.2° |
| H9 | C15 | C38 | H32 | 65.0° | 167.8° |
| H9 | C15 | C38 | H33 | 175.2° | 72.2° |
| H10 | C21 | C22 | H11 | 0.2° | 0.0° |
| H11 | C22 | C23 | H18 | 0.5° | 0.0° |
| H12 | C26 | C27 | H19 | 0.3° | 0.1° |
| H13 | C28 | C27 | H19 | 0.2° | 0.2° |
| H20 | C31 | C32 | H22 | 51.3° | 67.3° |
| H21 | C31 | C32 | H22 | 69.1° | 172.8° |
| H22 | C32 | C36 | H27 | 15.1° | 160.0° |
| H22 | C32 | C36 | H28 | 136.7° | 36.2° |
| H23 | C34 | C35 | H25 | 32.7° | 144.5° |
| H23 | C34 | C35 | H26 | 88.9° | 21.2° |
| H24 | C34 | C35 | H25 | 154.3° | 23.3° |
| H24 | C34 | C35 | H26 | 32.8° | 99.9° |
| H25 | C35 | C36 | H27 | 28.9° | 159.2° |
| H25 | C35 | C36 | H28 | 150.6° | 35.4° |
| H26 | C35 | C36 | H27 | 92.7° | 35.9° |
| H26 | C35 | C36 | H28 | 29.0° | 87.9° |
| H29 | C37 | H30 | H31 | 120.0° | 120.0° |
