JNI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| N1 | C2 | sing | 1.38Å | 1.38Å | |
| N7 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N7 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C9 | N8 | sing | 1.46Å | 1.47Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N8 | C6 | sing | 1.39Å | 1.37Å | |
| N8 | C16 | sing | 1.40Å | 1.40Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.48Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.48Å | 1.47Å | |
| C28 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.33Å | Aromatic |
| C33 | N32 | doub | 1.32Å | 1.32Å | Aromatic |
| N30 | C31 | doub | 1.32Å | 1.34Å | Aromatic |
| N32 | C31 | sing | 1.32Å | 1.33Å | Aromatic |
| C31 | N34 | sing | 1.38Å | 1.40Å | |
| C35 | N34 | sing | 1.47Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| N34 | C39 | sing | 1.47Å | 1.49Å | |
| C36 | N37 | sing | 1.47Å | 1.48Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| N37 | C38 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.08Å | 1.08Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| C38 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| N1 | H21 | sing | 0.97Å | 1.00Å | |
| N1 | H22 | sing | 0.97Å | 1.00Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.08Å | 1.08Å | |
| C14 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N37 | H30 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | H25 | 120.1° | 120.0° |
| C13 | C14 | H26 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.0° |
| C13 | C12 | H4 | 119.8° | 120.0° |
| C12 | C13 | H25 | 120.2° | 120.0° |
| C14 | C15 | C10 | 120.3° | 120.0° |
| C14 | C15 | H5 | 119.8° | 120.0° |
| C15 | C14 | H26 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H3 | 120.0° | 120.1° |
| C11 | C12 | H4 | 119.9° | 120.0° |
| C15 | C10 | C11 | 119.6° | 120.0° |
| C15 | C10 | C9 | 120.3° | 120.0° |
| C10 | C15 | H5 | 119.9° | 120.0° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C10 | C11 | H3 | 120.0° | 119.9° |
| C10 | C9 | N8 | 111.6° | 109.5° |
| C10 | C9 | H23 | 108.9° | 109.5° |
| C10 | C9 | H24 | 108.9° | 109.5° |
| N1 | C2 | N7 | 118.7° | 119.2° |
| N1 | C2 | N3 | 120.0° | 119.2° |
| C2 | N1 | H21 | 109.5° | 120.0° |
| C2 | N1 | H22 | 109.4° | 120.0° |
| C2 | N7 | C6 | 120.4° | 120.6° |
| N7 | C2 | N3 | 121.3° | 121.6° |
| N7 | C6 | N8 | 119.2° | 120.5° |
| N7 | C6 | C5 | 120.1° | 119.0° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.4° |
| C18 | C17 | H6 | 120.0° | 120.0° |
| C17 | C18 | H7 | 119.6° | 119.8° |
| C17 | C16 | N8 | 117.5° | 120.1° |
| C17 | C16 | C21 | 119.3° | 119.7° |
| C16 | C17 | H6 | 120.0° | 120.0° |
| C2 | N3 | C4 | 121.1° | 120.9° |
| C9 | N8 | C6 | 119.6° | 120.0° |
| C9 | N8 | C16 | 119.5° | 120.0° |
| N8 | C9 | H23 | 108.9° | 109.5° |
| N8 | C9 | H24 | 108.9° | 109.5° |
| C18 | C19 | C20 | 120.2° | 120.2° |
| C19 | C18 | H7 | 119.5° | 119.8° |
| C18 | C19 | H8 | 119.9° | 119.9° |
| C6 | N8 | C16 | 120.9° | 120.0° |
| N8 | C6 | C5 | 120.7° | 120.5° |
| N8 | C16 | C21 | 123.1° | 120.2° |
| C6 | C5 | C4 | 117.6° | 118.5° |
| C6 | C5 | H2 | 121.2° | 120.7° |
| N3 | C4 | C5 | 119.4° | 119.3° |
| N3 | C4 | H1 | 120.3° | 120.3° |
| C16 | C21 | C20 | 119.9° | 119.7° |
| C16 | C21 | C22 | 123.3° | 120.1° |
| C5 | C4 | H1 | 120.2° | 120.3° |
| C4 | C5 | H2 | 121.2° | 120.8° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C20 | C19 | H8 | 119.9° | 119.9° |
| C19 | C20 | H27 | 120.1° | 120.0° |
| C20 | C21 | C22 | 116.9° | 120.2° |
| C21 | C20 | H27 | 120.1° | 120.0° |
| C21 | C22 | C23 | 122.0° | 120.1° |
| C21 | C22 | C27 | 118.3° | 120.1° |
| C23 | C22 | C27 | 119.7° | 119.9° |
| C22 | C23 | C24 | 119.9° | 120.1° |
| C22 | C23 | H9 | 120.1° | 119.9° |
| C22 | C27 | C26 | 119.9° | 119.7° |
| C22 | C27 | H11 | 120.1° | 120.1° |
| C23 | C24 | C25 | 120.5° | 120.3° |
| C24 | C23 | H9 | 120.1° | 120.0° |
| C23 | C24 | H10 | 119.7° | 119.9° |
| C24 | C25 | C26 | 120.0° | 120.1° |
| C25 | C24 | H10 | 119.7° | 119.9° |
| C24 | C25 | H28 | 120.0° | 120.0° |
| C27 | C26 | C25 | 120.0° | 119.9° |
| C27 | C26 | C28 | 118.8° | 120.0° |
| C26 | C27 | H11 | 120.1° | 120.1° |
| C25 | C26 | C28 | 121.2° | 120.0° |
| C26 | C25 | H28 | 120.0° | 119.9° |
| C26 | C28 | C29 | 123.9° | 120.8° |
| C26 | C28 | C33 | 117.6° | 120.8° |
| C29 | C28 | C33 | 118.5° | 118.4° |
| C28 | C29 | N30 | 118.4° | 119.0° |
| C28 | C29 | H29 | 120.8° | 120.5° |
| C28 | C33 | N32 | 119.4° | 119.0° |
| C28 | C33 | H12 | 120.3° | 120.5° |
| C29 | N30 | C31 | 122.1° | 120.9° |
| N30 | C29 | H29 | 120.8° | 120.5° |
| C33 | N32 | C31 | 121.5° | 120.9° |
| N32 | C33 | H12 | 120.3° | 120.5° |
| N30 | C31 | N32 | 120.1° | 121.8° |
| N30 | C31 | N34 | 121.6° | 119.1° |
| N32 | C31 | N34 | 118.3° | 119.1° |
| C31 | N34 | C35 | 116.1° | 111.0° |
| C31 | N34 | C39 | 115.3° | 111.0° |
| N34 | C35 | C36 | 113.6° | 109.4° |
| C35 | N34 | C39 | 118.2° | 110.9° |
| N34 | C35 | H13 | 108.4° | 109.5° |
| N34 | C35 | H14 | 108.4° | 109.5° |
| C35 | C36 | N37 | 112.4° | 109.3° |
| C36 | C35 | H13 | 108.4° | 109.5° |
| C36 | C35 | H14 | 108.4° | 109.5° |
| C35 | C36 | H15 | 108.7° | 109.5° |
| C35 | C36 | H16 | 108.7° | 109.5° |
| N34 | C39 | C38 | 112.0° | 109.4° |
| N34 | C39 | H19 | 108.8° | 109.5° |
| N34 | C39 | H20 | 108.9° | 109.5° |
| C36 | N37 | C38 | 114.9° | 110.9° |
| N37 | C36 | H15 | 108.7° | 109.5° |
| N37 | C36 | H16 | 108.7° | 109.5° |
| C36 | N37 | H30 | 108.1° | 111.0° |
| C39 | C38 | N37 | 108.7° | 109.4° |
| C39 | C38 | H17 | 109.7° | 109.5° |
| C39 | C38 | H18 | 109.7° | 109.5° |
| C38 | C39 | H19 | 108.8° | 109.5° |
| C38 | C39 | H20 | 108.8° | 109.5° |
| N37 | C38 | H17 | 109.6° | 109.5° |
| N37 | C38 | H18 | 109.7° | 109.5° |
| C38 | N37 | H30 | 108.1° | 111.0° |
| H13 | C35 | H14 | 109.4° | 109.5° |
| H15 | C36 | H16 | 109.5° | 109.6° |
| H17 | C38 | H18 | 109.5° | 109.5° |
| H19 | C39 | H20 | 109.5° | 109.5° |
| H21 | N1 | H22 | 109.5° | 120.0° |
| H23 | C9 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H25 | 180.0° | 179.7° |
| C13 | C14 | C15 | H26 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C13 | C14 | C15 | C10 | 0.1° | 0.6° |
| C14 | C13 | C12 | H4 | 179.9° | 180.0° |
| C13 | C14 | C15 | H5 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C13 | C12 | C11 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C13 | C12 | C11 | H3 | 179.8° | 179.8° |
| C12 | C13 | C14 | H26 | 180.0° | 180.0° |
| C14 | C15 | C10 | H5 | 180.0° | 179.4° |
| C14 | C15 | C10 | C11 | 0.0° | 0.5° |
| C14 | C15 | C10 | C9 | 179.9° | 179.4° |
| C15 | C14 | C13 | H25 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.1° | 0.3° |
| C12 | C11 | C10 | H3 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 179.8° | 179.7° |
| C11 | C12 | C13 | H25 | 179.9° | 179.7° |
| C15 | C10 | C11 | C9 | 179.9° | 180.0° |
| C15 | C10 | C9 | N8 | 68.2° | 94.7° |
| C15 | C10 | C11 | H3 | 179.9° | 180.0° |
| C15 | C10 | C9 | H23 | 52.1° | 145.3° |
| C15 | C10 | C9 | H24 | 171.5° | 25.3° |
| C10 | C15 | C14 | H26 | 179.9° | 179.8° |
| C11 | C10 | C9 | N8 | 111.7° | 85.4° |
| C10 | C11 | C12 | H4 | 179.8° | 180.0° |
| C11 | C10 | C15 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | H23 | 128.0° | 34.7° |
| C11 | C10 | C9 | H24 | 8.6° | 154.7° |
| C10 | C9 | N8 | H23 | 120.3° | 120.0° |
| C10 | C9 | N8 | H24 | 120.3° | 120.0° |
| C10 | C9 | N8 | C6 | 55.6° | 94.8° |
| C10 | C9 | N8 | C16 | 123.5° | 85.3° |
| C9 | C10 | C11 | H3 | 0.2° | 0.0° |
| C9 | C10 | C15 | H5 | 0.1° | 0.0° |
| C10 | C9 | H23 | H24 | 119.0° | 120.0° |
| N1 | C2 | N7 | N3 | 180.0° | 179.7° |
| N1 | C2 | N7 | C6 | 179.1° | 179.7° |
| N1 | C2 | N3 | C4 | 179.8° | 179.9° |
| C2 | N1 | H21 | H22 | 120.0° | 179.9° |
| C2 | N7 | C6 | N8 | 179.7° | 179.7° |
| C2 | N7 | C6 | C5 | 1.2° | 0.5° |
| N7 | C2 | N3 | C4 | 0.3° | 0.3° |
| N7 | C2 | N1 | H21 | 0.0° | 179.7° |
| N7 | C2 | N1 | H22 | 120.0° | 0.4° |
| C6 | N7 | C2 | N3 | 0.9° | 0.0° |
| N7 | C6 | N8 | C9 | 117.7° | 4.2° |
| N7 | C6 | N8 | C5 | 178.4° | 179.2° |
| N7 | C6 | N8 | C16 | 61.4° | 175.7° |
| N7 | C6 | C5 | C4 | 0.8° | 0.7° |
| N7 | C6 | C5 | H2 | 179.2° | 179.7° |
| C18 | C17 | C16 | H6 | 180.0° | 179.9° |
| C17 | C18 | C19 | H7 | 180.0° | 180.0° |
| C18 | C17 | C16 | N8 | 178.6° | 179.8° |
| C18 | C17 | C16 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C17 | C18 | C19 | H8 | 180.0° | 180.0° |
| C17 | C16 | N8 | C9 | 84.4° | 97.4° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | N8 | C6 | 94.7° | 82.7° |
| C17 | C16 | N8 | C21 | 178.4° | 179.7° |
| C17 | C16 | C21 | C20 | 0.2° | 0.0° |
| C17 | C16 | C21 | C22 | 179.5° | 180.0° |
| C16 | C17 | C18 | H7 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | H1 | 179.9° | 180.0° |
| N3 | C2 | N1 | H21 | 180.0° | 0.1° |
| N3 | C2 | N1 | H22 | 60.0° | 179.9° |
| C9 | N8 | C6 | C16 | 179.1° | 179.9° |
| C9 | N8 | C6 | C5 | 60.7° | 175.0° |
| C9 | N8 | C16 | C21 | 94.0° | 82.9° |
| N8 | C9 | H23 | H24 | 119.0° | 120.0° |
| C18 | C19 | C20 | H8 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C19 | C18 | C17 | H6 | 180.0° | 179.9° |
| C18 | C19 | C20 | H27 | 180.0° | 180.0° |
| C6 | N8 | C16 | C21 | 86.9° | 97.1° |
| N8 | C6 | C5 | C4 | 179.2° | 179.9° |
| N8 | C6 | C5 | H2 | 0.8° | 0.5° |
| C6 | N8 | C9 | H23 | 175.9° | 145.2° |
| C6 | N8 | C9 | H24 | 64.8° | 25.2° |
| C16 | N8 | C6 | C5 | 120.2° | 5.0° |
| N8 | C16 | C21 | C20 | 178.6° | 179.8° |
| N8 | C16 | C21 | C22 | 2.2° | 0.3° |
| N8 | C16 | C17 | H6 | 1.4° | 0.3° |
| C16 | N8 | C9 | H23 | 3.2° | 34.7° |
| C16 | N8 | C9 | H24 | 116.2° | 154.7° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C6 | C5 | C4 | H2 | 180.0° | 179.6° |
| C6 | C5 | C4 | H1 | 179.8° | 179.5° |
| N3 | C4 | C5 | H1 | 180.0° | 180.0° |
| N3 | C4 | C5 | H2 | 179.9° | 179.9° |
| C16 | C21 | C20 | C19 | 0.2° | 0.1° |
| C16 | C21 | C20 | C22 | 179.3° | 180.0° |
| C16 | C21 | C22 | C23 | 59.9° | 56.3° |
| C16 | C21 | C22 | C27 | 121.1° | 123.7° |
| C21 | C16 | C17 | H6 | 179.8° | 180.0° |
| C16 | C21 | C20 | H27 | 179.9° | 179.9° |
| C19 | C20 | C21 | H27 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 179.5° | 179.9° |
| C20 | C19 | C18 | H7 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 120.8° | 123.7° |
| C20 | C21 | C22 | C27 | 58.2° | 56.3° |
| C21 | C20 | C19 | H8 | 180.0° | 180.0° |
| C21 | C22 | C23 | C27 | 179.0° | 180.0° |
| C21 | C22 | C23 | C24 | 179.3° | 180.0° |
| C21 | C22 | C27 | C26 | 180.0° | 179.5° |
| C21 | C22 | C23 | H9 | 0.7° | 0.3° |
| C21 | C22 | C27 | H11 | 0.1° | 0.3° |
| C22 | C21 | C20 | H27 | 0.5° | 0.1° |
| C22 | C23 | C24 | H9 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 0.1° | 0.3° |
| C23 | C22 | C27 | C26 | 0.9° | 0.6° |
| C22 | C23 | C24 | H10 | 179.9° | 179.7° |
| C23 | C22 | C27 | H11 | 179.1° | 179.8° |
| C27 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C27 | C26 | H11 | 180.0° | 179.2° |
| C22 | C27 | C26 | C25 | 1.3° | 0.8° |
| C22 | C27 | C26 | C28 | 178.4° | 180.0° |
| C27 | C22 | C23 | H9 | 179.7° | 179.7° |
| C23 | C24 | C25 | H10 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.5° | 0.1° |
| C23 | C24 | C25 | H28 | 179.5° | 180.0° |
| C24 | C25 | C26 | C27 | 1.1° | 0.4° |
| C24 | C25 | C26 | H28 | 180.0° | 179.9° |
| C24 | C25 | C26 | C28 | 178.1° | 179.7° |
| C25 | C24 | C23 | H9 | 179.9° | 180.0° |
| C27 | C26 | C25 | C28 | 177.0° | 179.2° |
| C27 | C26 | C28 | C29 | 82.6° | 180.0° |
| C27 | C26 | C28 | C33 | 95.8° | 0.3° |
| C27 | C26 | C25 | H28 | 178.9° | 179.5° |
| C25 | C26 | C28 | C29 | 100.4° | 0.8° |
| C25 | C26 | C28 | C33 | 81.2° | 179.5° |
| C26 | C25 | C24 | H10 | 179.5° | 179.9° |
| C25 | C26 | C27 | H11 | 178.7° | 180.0° |
| C26 | C28 | C29 | C33 | 178.4° | 179.7° |
| C26 | C28 | C29 | N30 | 179.6° | 180.0° |
| C26 | C28 | C33 | N32 | 179.0° | 180.0° |
| C28 | C26 | C27 | H11 | 1.7° | 0.8° |
| C26 | C28 | C33 | H12 | 1.0° | 0.1° |
| C28 | C26 | C25 | H28 | 1.9° | 0.2° |
| C26 | C28 | C29 | H29 | 0.4° | 0.0° |
| C28 | C29 | N30 | H29 | 180.0° | 180.0° |
| C29 | C28 | C33 | N32 | 0.5° | 0.4° |
| C28 | C29 | N30 | C31 | 1.2° | 0.0° |
| C29 | C28 | C33 | H12 | 179.5° | 179.8° |
| C33 | C28 | C29 | N30 | 1.3° | 0.3° |
| C28 | C33 | N32 | H12 | 180.0° | 179.8° |
| C28 | C33 | N32 | C31 | 0.3° | 0.1° |
| C33 | C28 | C29 | H29 | 178.7° | 179.6° |
| C29 | N30 | C31 | N32 | 0.3° | 0.3° |
| C29 | N30 | C31 | N34 | 178.9° | 180.0° |
| C33 | N32 | C31 | N30 | 0.5° | 0.2° |
| C33 | N32 | C31 | N34 | 179.7° | 180.0° |
| N30 | C31 | N32 | N34 | 179.2° | 179.7° |
| N30 | C31 | N34 | C35 | 8.8° | 180.0° |
| N30 | C31 | N34 | C39 | 135.6° | 56.2° |
| C31 | N30 | C29 | H29 | 178.8° | 180.0° |
| N32 | C31 | N34 | C35 | 170.4° | 0.2° |
| N32 | C31 | N34 | C39 | 45.2° | 124.1° |
| C31 | N32 | C33 | H12 | 179.7° | 179.9° |
| C31 | N34 | C35 | C39 | 143.3° | 123.9° |
| C31 | N34 | C35 | C36 | 171.7° | 176.8° |
| C31 | N34 | C39 | C38 | 153.0° | 176.8° |
| C31 | N34 | C35 | H13 | 67.7° | 56.8° |
| C31 | N34 | C35 | H14 | 51.1° | 63.3° |
| C31 | N34 | C39 | H19 | 86.7° | 63.2° |
| C31 | N34 | C39 | H20 | 32.6° | 56.8° |
| N34 | C35 | C36 | H13 | 120.6° | 120.0° |
| N34 | C35 | C36 | H14 | 120.6° | 119.9° |
| N34 | C35 | C36 | N37 | 24.5° | 58.4° |
| C35 | N34 | C39 | C38 | 9.4° | 59.3° |
| N34 | C35 | H13 | H14 | 118.1° | 120.1° |
| N34 | C35 | C36 | H15 | 145.0° | 178.3° |
| N34 | C35 | C36 | H16 | 95.9° | 61.6° |
| C35 | N34 | C39 | H19 | 129.7° | 60.7° |
| C35 | N34 | C39 | H20 | 111.0° | 179.3° |
| C36 | C35 | N34 | C39 | 45.0° | 59.3° |
| C35 | C36 | N37 | H15 | 120.4° | 119.9° |
| C35 | C36 | N37 | H16 | 120.4° | 119.9° |
| C35 | C36 | N37 | C38 | 29.6° | 59.3° |
| C36 | C35 | H13 | H14 | 118.1° | 120.0° |
| C35 | C36 | H15 | H16 | 118.6° | 120.1° |
| C35 | C36 | N37 | H30 | 150.4° | 64.5° |
| N34 | C39 | C38 | H19 | 120.4° | 120.0° |
| N34 | C39 | C38 | H20 | 120.4° | 120.0° |
| N34 | C39 | C38 | N37 | 43.5° | 58.4° |
| C39 | N34 | C35 | H13 | 75.7° | 179.3° |
| C39 | N34 | C35 | H14 | 165.6° | 60.6° |
| N34 | C39 | C38 | H17 | 163.4° | 61.6° |
| N34 | C39 | C38 | H18 | 76.4° | 178.4° |
| N34 | C39 | H19 | H20 | 118.9° | 120.0° |
| C36 | N37 | C38 | C39 | 65.6° | 59.3° |
| C36 | N37 | C38 | H30 | 120.8° | 123.8° |
| N37 | C36 | C35 | H13 | 96.1° | 178.4° |
| N37 | C36 | C35 | H14 | 145.2° | 61.5° |
| N37 | C36 | H15 | H16 | 118.6° | 120.1° |
| C36 | N37 | C38 | H17 | 174.6° | 60.6° |
| C36 | N37 | C38 | H18 | 54.3° | 179.3° |
| C39 | C38 | N37 | H17 | 119.9° | 120.0° |
| C39 | C38 | N37 | H18 | 119.9° | 120.0° |
| C39 | C38 | H17 | H18 | 120.4° | 120.0° |
| C38 | C39 | H19 | H20 | 118.8° | 120.1° |
| C39 | C38 | N37 | H30 | 173.6° | 64.5° |
| C38 | N37 | C36 | H15 | 90.8° | 179.2° |
| C38 | N37 | C36 | H16 | 150.1° | 60.6° |
| N37 | C38 | H17 | H18 | 120.4° | 120.1° |
| N37 | C38 | C39 | H19 | 76.9° | 61.6° |
| N37 | C38 | C39 | H20 | 163.9° | 178.4° |
| H1 | C4 | C5 | H2 | 0.1° | 0.1° |
| H3 | C11 | C12 | H4 | 0.2° | 0.3° |
| H4 | C12 | C13 | H25 | 0.1° | 0.4° |
| H5 | C15 | C14 | H26 | 0.1° | 0.3° |
| H6 | C17 | C18 | H7 | 0.1° | 0.1° |
| H7 | C18 | C19 | H8 | 0.0° | 0.1° |
| H8 | C19 | C20 | H27 | 0.0° | 0.1° |
| H9 | C23 | C24 | H10 | 0.1° | 0.0° |
| H10 | C24 | C25 | H28 | 0.5° | 0.0° |
| H13 | C35 | C36 | H15 | 24.4° | 61.7° |
| H13 | C35 | C36 | H16 | 143.5° | 58.4° |
| H14 | C35 | C36 | H15 | 94.4° | 58.4° |
| H14 | C35 | C36 | H16 | 24.7° | 178.5° |
| H15 | C36 | N37 | H30 | 30.0° | 55.4° |
| H16 | C36 | N37 | H30 | 89.1° | 175.5° |
| H17 | C38 | C39 | H19 | 43.0° | 178.5° |
| H17 | C38 | C39 | H20 | 76.2° | 58.4° |
| H17 | C38 | N37 | H30 | 53.8° | 175.5° |
| H18 | C38 | C39 | H19 | 163.2° | 58.4° |
| H18 | C38 | C39 | H20 | 44.0° | 61.6° |
| H18 | C38 | N37 | H30 | 66.5° | 55.5° |
| H25 | C13 | C14 | H26 | 0.1° | 0.3° |
