9MS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| N7 | C9 | doub | 1.30Å | 1.31Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.37Å | 1.39Å | Aromatic |
| C31 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| CL35 | C34 | sing | 1.74Å | 1.74Å | |
| C33 | C9 | sing | 1.51Å | 1.49Å | |
| C33 | O30 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C34 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.52Å | |
| C9 | N8 | sing | 1.36Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C14 | O30 | sing | 1.36Å | 1.40Å | |
| C14 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C32 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C36 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C4 | N8 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C22 | sing | 1.53Å | 1.53Å | |
| N8 | C10 | sing | 1.47Å | 1.50Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | F18 | sing | 1.35Å | 1.36Å | |
| C22 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C11 | sing | 1.35Å | 1.34Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C27 | sing | 1.53Å | 1.55Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C27 | C15 | sing | 1.53Å | 1.57Å | |
| C15 | C23 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| N13 | H19 | sing | 0.97Å | 1.00Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N7 | C9 | 105.3° | 109.7° |
| N7 | C5 | C6 | 129.3° | 133.6° |
| N7 | C5 | C4 | 110.8° | 106.9° |
| N7 | C9 | C33 | 121.5° | 125.0° |
| N7 | C9 | N8 | 113.3° | 110.1° |
| C5 | C6 | C1 | 119.5° | 119.9° |
| C6 | C5 | C4 | 119.9° | 119.5° |
| C5 | C6 | H1 | 120.3° | 120.0° |
| C6 | C1 | C2 | 118.5° | 120.6° |
| C1 | C6 | H1 | 120.3° | 120.0° |
| C6 | C1 | H17 | 120.8° | 119.7° |
| C28 | C31 | C34 | 119.3° | 120.0° |
| C31 | C28 | C14 | 119.7° | 120.0° |
| C31 | C28 | H16 | 120.1° | 120.0° |
| C28 | C31 | H31 | 120.4° | 119.9° |
| C31 | C34 | CL35 | 119.3° | 119.9° |
| C31 | C34 | C32 | 121.7° | 120.1° |
| C34 | C31 | H31 | 120.3° | 120.0° |
| C28 | C14 | O30 | 122.7° | 120.1° |
| C28 | C14 | C29 | 120.7° | 119.9° |
| C14 | C28 | H16 | 120.1° | 120.0° |
| CL35 | C34 | C32 | 119.0° | 120.0° |
| C9 | C33 | O30 | 111.6° | 109.4° |
| C33 | C9 | N8 | 125.2° | 125.0° |
| C9 | C33 | H29 | 109.0° | 109.5° |
| C9 | C33 | H30 | 108.9° | 109.5° |
| C33 | O30 | C14 | 117.7° | 117.0° |
| O30 | C33 | H29 | 108.9° | 109.5° |
| O30 | C33 | H30 | 108.9° | 109.5° |
| C5 | C4 | N8 | 105.2° | 106.0° |
| C5 | C4 | C3 | 122.0° | 119.9° |
| C34 | C32 | C29 | 120.2° | 120.1° |
| C34 | C32 | H32 | 119.9° | 119.9° |
| C20 | C19 | C17 | 110.8° | 109.4° |
| C19 | C20 | C21 | 111.3° | 109.5° |
| C19 | C20 | H7 | 109.0° | 109.5° |
| C19 | C20 | H8 | 109.0° | 109.4° |
| C20 | C19 | H22 | 109.1° | 109.5° |
| C20 | C19 | H23 | 109.1° | 109.5° |
| C19 | C17 | C16 | 111.2° | 109.4° |
| C19 | C17 | H5 | 109.0° | 109.5° |
| C19 | C17 | H6 | 109.0° | 109.5° |
| C17 | C19 | H22 | 109.2° | 109.5° |
| C17 | C19 | H23 | 109.1° | 109.4° |
| C9 | N8 | C4 | 105.3° | 107.3° |
| C9 | N8 | C10 | 128.3° | 126.3° |
| C1 | C2 | C3 | 123.6° | 120.4° |
| C1 | C2 | F18 | 118.2° | 119.8° |
| C2 | C1 | H17 | 120.7° | 119.7° |
| C20 | C21 | C22 | 111.4° | 109.5° |
| C21 | C20 | H7 | 109.0° | 109.5° |
| C21 | C20 | H8 | 109.0° | 109.5° |
| C20 | C21 | H9 | 109.0° | 109.4° |
| C20 | C21 | H10 | 109.0° | 109.5° |
| O30 | C14 | C29 | 116.5° | 120.0° |
| C14 | C29 | C32 | 118.4° | 119.9° |
| C14 | C29 | C36 | 121.5° | 120.0° |
| C21 | C22 | C16 | 111.3° | 109.5° |
| C21 | C22 | N13 | 110.6° | 109.5° |
| C22 | C21 | H9 | 109.0° | 109.5° |
| C22 | C21 | H10 | 109.0° | 109.5° |
| C21 | C22 | H11 | 107.7° | 109.5° |
| C32 | C29 | C36 | 120.1° | 120.1° |
| C29 | C32 | H32 | 119.9° | 120.0° |
| C29 | C36 | H33 | 109.5° | 109.5° |
| C29 | C36 | H34 | 109.5° | 109.4° |
| C29 | C36 | H35 | 109.4° | 109.5° |
| C17 | C16 | C22 | 111.4° | 109.5° |
| C16 | C17 | H5 | 109.0° | 109.4° |
| C16 | C17 | H6 | 109.0° | 109.5° |
| C17 | C16 | H20 | 109.0° | 109.5° |
| C17 | C16 | H21 | 109.0° | 109.5° |
| N8 | C4 | C3 | 132.7° | 134.1° |
| C4 | N8 | C10 | 126.3° | 126.4° |
| C4 | C3 | C2 | 116.5° | 119.6° |
| C4 | C3 | H18 | 121.7° | 120.2° |
| C16 | C22 | N13 | 110.2° | 109.5° |
| C16 | C22 | H11 | 108.0° | 109.5° |
| C22 | C16 | H20 | 109.0° | 109.4° |
| C22 | C16 | H21 | 109.0° | 109.5° |
| N8 | C10 | C11 | 110.2° | 109.4° |
| N8 | C10 | C27 | 115.0° | 109.5° |
| N8 | C10 | H2 | 106.9° | 109.5° |
| C3 | C2 | F18 | 118.2° | 119.8° |
| C2 | C3 | H18 | 121.8° | 120.2° |
| C22 | N13 | C11 | 123.0° | 120.0° |
| N13 | C22 | H11 | 108.9° | 109.5° |
| C22 | N13 | H19 | 118.5° | 120.0° |
| N13 | C11 | C10 | 115.5° | 119.9° |
| N13 | C11 | O12 | 123.1° | 120.0° |
| C11 | N13 | H19 | 118.5° | 120.0° |
| C11 | C10 | C27 | 111.4° | 109.5° |
| C10 | C11 | O12 | 121.4° | 120.0° |
| C11 | C10 | H2 | 106.4° | 109.5° |
| C10 | C27 | C26 | 112.5° | 109.5° |
| C10 | C27 | C15 | 111.3° | 109.4° |
| C27 | C10 | H2 | 106.5° | 109.5° |
| C10 | C27 | H24 | 108.0° | 109.5° |
| C27 | C26 | C25 | 111.6° | 109.4° |
| C26 | C27 | C15 | 109.0° | 109.5° |
| C27 | C26 | H14 | 108.9° | 109.5° |
| C27 | C26 | H15 | 108.9° | 109.5° |
| C26 | C27 | H24 | 108.1° | 109.5° |
| C26 | C25 | C24 | 111.6° | 109.5° |
| C25 | C26 | H14 | 108.9° | 109.4° |
| C25 | C26 | H15 | 108.9° | 109.5° |
| C26 | C25 | H27 | 108.9° | 109.5° |
| C26 | C25 | H28 | 108.9° | 109.5° |
| C27 | C15 | C23 | 112.0° | 109.4° |
| C27 | C15 | H3 | 108.9° | 109.5° |
| C27 | C15 | H4 | 108.8° | 109.5° |
| C15 | C27 | H24 | 107.7° | 109.5° |
| C15 | C23 | C24 | 111.4° | 109.5° |
| C23 | C15 | H3 | 108.8° | 109.5° |
| C23 | C15 | H4 | 108.9° | 109.5° |
| C15 | C23 | H25 | 109.0° | 109.5° |
| C15 | C23 | H26 | 109.0° | 109.5° |
| C25 | C24 | C23 | 111.4° | 109.4° |
| C25 | C24 | H12 | 109.0° | 109.5° |
| C25 | C24 | H13 | 109.0° | 109.5° |
| C24 | C25 | H27 | 108.9° | 109.5° |
| C24 | C25 | H28 | 108.9° | 109.4° |
| C23 | C24 | H12 | 109.0° | 109.4° |
| C23 | C24 | H13 | 109.0° | 109.5° |
| C24 | C23 | H25 | 109.0° | 109.5° |
| C24 | C23 | H26 | 109.0° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.4° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.4° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| H29 | C33 | H30 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.4° |
| H33 | C36 | H35 | 109.5° | 109.5° |
| H34 | C36 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C5 | C6 | C4 | 179.7° | 179.9° |
| N7 | C5 | C6 | C1 | 180.0° | 180.0° |
| C5 | N7 | C9 | C33 | 179.9° | 180.0° |
| C5 | N7 | C9 | N8 | 0.1° | 0.0° |
| N7 | C5 | C4 | N8 | 0.2° | 0.0° |
| N7 | C5 | C4 | C3 | 180.0° | 179.8° |
| N7 | C5 | C6 | H1 | 0.0° | 0.0° |
| C9 | N7 | C5 | C6 | 179.8° | 180.0° |
| N7 | C9 | C33 | N8 | 179.7° | 179.9° |
| N7 | C9 | C33 | O30 | 171.7° | 80.9° |
| C9 | N7 | C5 | C4 | 0.1° | 0.0° |
| N7 | C9 | N8 | C4 | 0.2° | 0.0° |
| N7 | C9 | N8 | C10 | 179.8° | 179.7° |
| N7 | C9 | C33 | H29 | 51.3° | 159.1° |
| N7 | C9 | C33 | H30 | 68.0° | 39.1° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.1° |
| C6 | C5 | C4 | N8 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C5 | C6 | C1 | H17 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C6 | C1 | C2 | H17 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | F18 | 180.0° | 180.0° |
| C28 | C31 | C34 | H31 | 180.0° | 180.0° |
| C31 | C28 | C14 | H16 | 180.0° | 179.8° |
| C28 | C31 | C34 | CL35 | 180.0° | 180.0° |
| C28 | C31 | C34 | C32 | 0.0° | 0.0° |
| C31 | C28 | C14 | O30 | 180.0° | 179.7° |
| C31 | C28 | C14 | C29 | 0.0° | 0.3° |
| C34 | C31 | C28 | C14 | 0.0° | 0.0° |
| C31 | C34 | CL35 | C32 | 180.0° | 180.0° |
| C31 | C34 | C32 | C29 | 0.1° | 0.3° |
| C34 | C31 | C28 | H16 | 180.0° | 179.8° |
| C31 | C34 | C32 | H32 | 180.0° | 180.0° |
| C28 | C14 | O30 | C33 | 88.4° | 0.0° |
| C28 | C14 | O30 | C29 | 180.0° | 179.9° |
| C28 | C14 | C29 | C32 | 0.0° | 0.5° |
| C28 | C14 | C29 | C36 | 180.0° | 180.0° |
| C14 | C28 | C31 | H31 | 180.0° | 180.0° |
| CL35 | C34 | C32 | C29 | 179.9° | 179.7° |
| CL35 | C34 | C31 | H31 | 0.0° | 0.0° |
| CL35 | C34 | C32 | H32 | 0.0° | 0.0° |
| C9 | C33 | O30 | H29 | 120.4° | 120.0° |
| C9 | C33 | O30 | H30 | 120.3° | 120.0° |
| C9 | C33 | O30 | C14 | 170.8° | 180.0° |
| C33 | C9 | N8 | C4 | 180.0° | 180.0° |
| C33 | C9 | N8 | C10 | 0.5° | 0.2° |
| C9 | C33 | H29 | H30 | 119.0° | 120.0° |
| O30 | C33 | C9 | N8 | 8.6° | 99.2° |
| C33 | O30 | C14 | C29 | 91.6° | 180.0° |
| O30 | C33 | H29 | H30 | 119.0° | 120.0° |
| C5 | C4 | N8 | C9 | 0.2° | 0.0° |
| C5 | C4 | N8 | C3 | 179.8° | 179.7° |
| C5 | C4 | N8 | C10 | 179.8° | 179.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.5° |
| C4 | C5 | C6 | H1 | 179.8° | 180.0° |
| C5 | C4 | C3 | H18 | 179.9° | 179.6° |
| C34 | C32 | C29 | C14 | 0.1° | 0.6° |
| C34 | C32 | C29 | H32 | 180.0° | 179.7° |
| C34 | C32 | C29 | C36 | 180.0° | 180.0° |
| C32 | C34 | C31 | H31 | 180.0° | 180.0° |
| C20 | C19 | C17 | H22 | 120.2° | 120.0° |
| C20 | C19 | C17 | H23 | 120.2° | 120.0° |
| C19 | C20 | C21 | H7 | 120.3° | 120.0° |
| C19 | C20 | C21 | H8 | 120.3° | 120.0° |
| C19 | C20 | C21 | C22 | 54.2° | 60.0° |
| C20 | C19 | C17 | C16 | 57.6° | 60.0° |
| C20 | C19 | C17 | H5 | 62.7° | 180.0° |
| C20 | C19 | C17 | H6 | 177.8° | 60.0° |
| C19 | C20 | H7 | H8 | 119.2° | 119.9° |
| C19 | C20 | C21 | H9 | 66.0° | 60.0° |
| C19 | C20 | C21 | H10 | 174.5° | 180.0° |
| C20 | C19 | H22 | H23 | 119.4° | 120.1° |
| C17 | C19 | C20 | C21 | 56.5° | 60.0° |
| C19 | C17 | C16 | H5 | 120.3° | 119.9° |
| C19 | C17 | C16 | H6 | 120.2° | 120.0° |
| C19 | C17 | C16 | C22 | 56.6° | 60.1° |
| C19 | C17 | H5 | H6 | 119.2° | 120.0° |
| C17 | C19 | C20 | H7 | 176.8° | 60.0° |
| C17 | C19 | C20 | H8 | 63.8° | 180.0° |
| C19 | C17 | C16 | H20 | 176.9° | 180.0° |
| C19 | C17 | C16 | H21 | 63.7° | 60.0° |
| C17 | C19 | H22 | H23 | 119.4° | 120.0° |
| C9 | N8 | C4 | C10 | 179.5° | 179.7° |
| C9 | N8 | C4 | C3 | 179.9° | 179.7° |
| C9 | N8 | C10 | C11 | 123.6° | 59.9° |
| C9 | N8 | C10 | C27 | 109.5° | 60.1° |
| C9 | N8 | C10 | H2 | 8.4° | 179.9° |
| N8 | C9 | C33 | H29 | 129.0° | 20.8° |
| N8 | C9 | C33 | H30 | 111.7° | 140.8° |
| C1 | C2 | C3 | C4 | 0.0° | 0.5° |
| C1 | C2 | C3 | F18 | 179.9° | 179.8° |
| C2 | C1 | C6 | H1 | 179.8° | 180.0° |
| C1 | C2 | C3 | H18 | 180.0° | 179.7° |
| C20 | C21 | C22 | H9 | 120.3° | 120.0° |
| C20 | C21 | C22 | H10 | 120.3° | 120.0° |
| C20 | C21 | C22 | C16 | 52.9° | 60.0° |
| C20 | C21 | C22 | N13 | 175.7° | 180.0° |
| C21 | C20 | H7 | H8 | 119.2° | 120.0° |
| C20 | C21 | H9 | H10 | 119.1° | 120.0° |
| C20 | C21 | C22 | H11 | 65.4° | 60.0° |
| C21 | C20 | C19 | H22 | 176.7° | 60.0° |
| C21 | C20 | C19 | H23 | 63.7° | 180.0° |
| O30 | C14 | C29 | C32 | 180.0° | 179.4° |
| O30 | C14 | C29 | C36 | 0.0° | 0.0° |
| O30 | C14 | C28 | H16 | 0.0° | 0.1° |
| C14 | O30 | C33 | H29 | 50.5° | 60.0° |
| C14 | O30 | C33 | H30 | 68.9° | 60.0° |
| C14 | C29 | C32 | C36 | 180.0° | 179.4° |
| C29 | C14 | C28 | H16 | 180.0° | 180.0° |
| C14 | C29 | C32 | H32 | 179.9° | 179.7° |
| C14 | C29 | C36 | H33 | 90.0° | 90.0° |
| C14 | C29 | C36 | H34 | 150.0° | 150.0° |
| C14 | C29 | C36 | H35 | 30.0° | 30.1° |
| C21 | C22 | C16 | C17 | 54.0° | 60.0° |
| C21 | C22 | C16 | N13 | 123.1° | 120.0° |
| C21 | C22 | C16 | H11 | 118.1° | 120.0° |
| C21 | C22 | N13 | H11 | 118.2° | 120.0° |
| C21 | C22 | N13 | C11 | 116.1° | 155.0° |
| C22 | C21 | C20 | H7 | 174.5° | 60.1° |
| C22 | C21 | C20 | H8 | 66.0° | 180.0° |
| C22 | C21 | H9 | H10 | 119.1° | 120.0° |
| C21 | C22 | N13 | H19 | 64.0° | 25.0° |
| C21 | C22 | C16 | H20 | 174.3° | 180.0° |
| C21 | C22 | C16 | H21 | 66.3° | 60.1° |
| C32 | C29 | C36 | H33 | 90.0° | 89.4° |
| C32 | C29 | C36 | H34 | 30.0° | 30.6° |
| C32 | C29 | C36 | H35 | 150.0° | 150.5° |
| C36 | C29 | C32 | H32 | 0.0° | 0.3° |
| C29 | C36 | H33 | H34 | 120.1° | 119.9° |
| C29 | C36 | H33 | H35 | 120.0° | 120.1° |
| C29 | C36 | H34 | H35 | 120.0° | 120.0° |
| C17 | C16 | C22 | H20 | 120.3° | 120.0° |
| C17 | C16 | C22 | H21 | 120.3° | 120.1° |
| C17 | C16 | C22 | N13 | 177.1° | 180.0° |
| C16 | C17 | H5 | H6 | 119.2° | 120.0° |
| C17 | C16 | C22 | H11 | 64.1° | 60.0° |
| C17 | C16 | H20 | H21 | 119.1° | 120.0° |
| C16 | C17 | C19 | H22 | 177.8° | 60.0° |
| C16 | C17 | C19 | H23 | 62.6° | 180.0° |
| N8 | C4 | C3 | C2 | 179.9° | 179.9° |
| C4 | N8 | C10 | C11 | 55.9° | 120.4° |
| C4 | N8 | C10 | C27 | 71.0° | 119.6° |
| C4 | N8 | C10 | H2 | 171.1° | 0.4° |
| N8 | C4 | C3 | H18 | 0.2° | 0.0° |
| C3 | C4 | N8 | C10 | 0.4° | 0.0° |
| C4 | C3 | C2 | H18 | 180.0° | 179.9° |
| C4 | C3 | C2 | F18 | 179.9° | 179.8° |
| C16 | C22 | N13 | H11 | 118.3° | 120.0° |
| C16 | C22 | N13 | C11 | 120.4° | 85.1° |
| C22 | C16 | C17 | H5 | 63.7° | 180.0° |
| C22 | C16 | C17 | H6 | 176.8° | 60.0° |
| C16 | C22 | C21 | H9 | 67.4° | 60.0° |
| C16 | C22 | C21 | H10 | 173.2° | 180.0° |
| C16 | C22 | N13 | H19 | 59.6° | 95.0° |
| C22 | C16 | H20 | H21 | 119.1° | 120.0° |
| N8 | C10 | C11 | N13 | 54.0° | 166.9° |
| N8 | C10 | C11 | C27 | 128.8° | 120.0° |
| N8 | C10 | C11 | H2 | 115.5° | 120.0° |
| N8 | C10 | C27 | H2 | 118.2° | 120.0° |
| N8 | C10 | C11 | O12 | 126.0° | 13.1° |
| N8 | C10 | C27 | C26 | 36.2° | 54.5° |
| N8 | C10 | C27 | C15 | 158.9° | 174.5° |
| N8 | C10 | C27 | H24 | 83.1° | 65.5° |
| C3 | C2 | C1 | H17 | 179.9° | 179.8° |
| F18 | C2 | C1 | H17 | 0.0° | 0.0° |
| F18 | C2 | C3 | H18 | 0.1° | 0.1° |
| C22 | N13 | C11 | H19 | 180.0° | 179.9° |
| C22 | N13 | C11 | C10 | 179.9° | 175.5° |
| C22 | N13 | C11 | O12 | 0.1° | 4.6° |
| N13 | C22 | C21 | H9 | 55.5° | 60.0° |
| N13 | C22 | C21 | H10 | 64.0° | 60.0° |
| N13 | C22 | C16 | H20 | 62.6° | 60.0° |
| N13 | C22 | C16 | H21 | 56.8° | 60.0° |
| N13 | C11 | C10 | O12 | 180.0° | 180.0° |
| N13 | C11 | C10 | C27 | 177.1° | 73.0° |
| N13 | C11 | C10 | H2 | 61.5° | 47.0° |
| C11 | N13 | C22 | H11 | 2.2° | 35.0° |
| C11 | C10 | C27 | H2 | 115.6° | 120.0° |
| C11 | C10 | C27 | C26 | 162.4° | 174.5° |
| C11 | C10 | C27 | C15 | 74.9° | 65.6° |
| C10 | C11 | N13 | H19 | 0.1° | 4.5° |
| C11 | C10 | C27 | H24 | 43.2° | 54.5° |
| C27 | C10 | C11 | O12 | 2.8° | 106.9° |
| C10 | C27 | C26 | C15 | 124.0° | 119.9° |
| C10 | C27 | C26 | H24 | 119.2° | 120.0° |
| C10 | C27 | C26 | C25 | 179.9° | 180.0° |
| C10 | C27 | C15 | H24 | 118.2° | 120.0° |
| C10 | C27 | C15 | C23 | 178.0° | 180.0° |
| C10 | C27 | C15 | H3 | 57.6° | 60.0° |
| C10 | C27 | C15 | H4 | 61.6° | 60.0° |
| C10 | C27 | C26 | H14 | 59.8° | 60.0° |
| C10 | C27 | C26 | H15 | 59.6° | 60.0° |
| O12 | C11 | C10 | H2 | 118.5° | 133.0° |
| O12 | C11 | N13 | H19 | 179.9° | 175.5° |
| C27 | C26 | C25 | H14 | 120.3° | 120.0° |
| C27 | C26 | C25 | H15 | 120.3° | 120.0° |
| C26 | C27 | C15 | H24 | 117.1° | 120.0° |
| C26 | C27 | C15 | C23 | 57.3° | 60.0° |
| C27 | C26 | C25 | C24 | 55.3° | 60.0° |
| C26 | C27 | C10 | H2 | 82.0° | 65.5° |
| C26 | C27 | C15 | H3 | 177.7° | 180.0° |
| C26 | C27 | C15 | H4 | 63.0° | 59.9° |
| C27 | C26 | H14 | H15 | 119.0° | 120.0° |
| C27 | C26 | C25 | H27 | 175.6° | 60.0° |
| C27 | C26 | C25 | H28 | 65.0° | 180.0° |
| C25 | C26 | C27 | C15 | 56.2° | 60.0° |
| C26 | C25 | C24 | H27 | 120.3° | 120.1° |
| C26 | C25 | C24 | H28 | 120.3° | 120.0° |
| C26 | C25 | C24 | C23 | 53.3° | 60.0° |
| C26 | C25 | C24 | H12 | 67.0° | 180.0° |
| C26 | C25 | C24 | H13 | 173.6° | 60.0° |
| C25 | C26 | H14 | H15 | 119.0° | 120.0° |
| C25 | C26 | C27 | H24 | 60.7° | 60.0° |
| C26 | C25 | H27 | H28 | 119.0° | 120.0° |
| C27 | C15 | C23 | H3 | 120.4° | 120.0° |
| C27 | C15 | C23 | H4 | 120.4° | 120.0° |
| C27 | C15 | C23 | C24 | 56.9° | 60.0° |
| C15 | C27 | C10 | H2 | 40.7° | 54.4° |
| C27 | C15 | H3 | H4 | 118.8° | 120.1° |
| C15 | C27 | C26 | H14 | 64.2° | 59.9° |
| C15 | C27 | C26 | H15 | 176.5° | 180.0° |
| C27 | C15 | C23 | H25 | 63.5° | 60.0° |
| C27 | C15 | C23 | H26 | 177.2° | 180.0° |
| C15 | C23 | C24 | C25 | 54.2° | 60.0° |
| C15 | C23 | C24 | H25 | 120.3° | 120.0° |
| C15 | C23 | C24 | H26 | 120.3° | 120.0° |
| C23 | C15 | H3 | H4 | 118.9° | 120.0° |
| C15 | C23 | C24 | H12 | 66.1° | 180.0° |
| C15 | C23 | C24 | H13 | 174.5° | 60.0° |
| C23 | C15 | C27 | H24 | 59.8° | 60.0° |
| C15 | C23 | H25 | H26 | 119.1° | 120.0° |
| C25 | C24 | C23 | H12 | 120.3° | 120.0° |
| C25 | C24 | C23 | H13 | 120.3° | 120.0° |
| C25 | C24 | H12 | H13 | 119.1° | 120.0° |
| C24 | C25 | C26 | H14 | 65.0° | 60.0° |
| C24 | C25 | C26 | H15 | 175.6° | 180.0° |
| C25 | C24 | C23 | H25 | 66.1° | 60.0° |
| C25 | C24 | C23 | H26 | 174.5° | 180.0° |
| C24 | C25 | H27 | H28 | 119.0° | 119.9° |
| C24 | C23 | C15 | H3 | 177.3° | 180.0° |
| C24 | C23 | C15 | H4 | 63.5° | 60.0° |
| C23 | C24 | H12 | H13 | 119.1° | 120.0° |
| C24 | C23 | H25 | H26 | 119.1° | 120.0° |
| C23 | C24 | C25 | H27 | 173.6° | 60.0° |
| C23 | C24 | C25 | H28 | 67.0° | 180.0° |
| H1 | C6 | C1 | H17 | 0.2° | 0.0° |
| H2 | C10 | C27 | H24 | 158.8° | 174.5° |
| H3 | C15 | C27 | H24 | 60.6° | 60.0° |
| H3 | C15 | C23 | H25 | 56.9° | 60.0° |
| H3 | C15 | C23 | H26 | 62.4° | 60.0° |
| H4 | C15 | C27 | H24 | 179.9° | 179.9° |
| H4 | C15 | C23 | H25 | 176.2° | 180.0° |
| H4 | C15 | C23 | H26 | 56.8° | 60.0° |
| H5 | C17 | C16 | H20 | 56.6° | 60.0° |
| H5 | C17 | C16 | H21 | 176.0° | 59.9° |
| H5 | C17 | C19 | H22 | 57.5° | 60.0° |
| H5 | C17 | C19 | H23 | 177.2° | 60.0° |
| H6 | C17 | C16 | H20 | 62.9° | 60.0° |
| H6 | C17 | C16 | H21 | 56.5° | 180.0° |
| H6 | C17 | C19 | H22 | 62.0° | 180.0° |
| H6 | C17 | C19 | H23 | 57.6° | 60.0° |
| H7 | C20 | C21 | H9 | 54.2° | 180.0° |
| H7 | C20 | C21 | H10 | 65.2° | 60.0° |
| H7 | C20 | C19 | H22 | 63.0° | 180.0° |
| H7 | C20 | C19 | H23 | 56.6° | 59.9° |
| H8 | C20 | C21 | H9 | 173.7° | 60.0° |
| H8 | C20 | C21 | H10 | 54.3° | 60.0° |
| H8 | C20 | C19 | H22 | 56.4° | 60.1° |
| H8 | C20 | C19 | H23 | 176.0° | 60.0° |
| H9 | C21 | C22 | H11 | 174.4° | 180.0° |
| H10 | C21 | C22 | H11 | 54.9° | 60.0° |
| H11 | C22 | N13 | H19 | 177.8° | 145.0° |
| H11 | C22 | C16 | H20 | 56.2° | 60.0° |
| H11 | C22 | C16 | H21 | 175.6° | 180.0° |
| H12 | C24 | C23 | H25 | 173.6° | 60.0° |
| H12 | C24 | C23 | H26 | 54.2° | 60.0° |
| H12 | C24 | C25 | H27 | 53.3° | 59.9° |
| H12 | C24 | C25 | H28 | 172.7° | 60.0° |
| H13 | C24 | C23 | H25 | 54.2° | 180.0° |
| H13 | C24 | C23 | H26 | 65.2° | 60.0° |
| H13 | C24 | C25 | H27 | 66.0° | 180.0° |
| H13 | C24 | C25 | H28 | 53.3° | 60.0° |
| H14 | C26 | C27 | H24 | 179.0° | 180.0° |
| H14 | C26 | C25 | H27 | 55.3° | 180.0° |
| H14 | C26 | C25 | H28 | 174.6° | 60.0° |
| H15 | C26 | C27 | H24 | 59.6° | 60.0° |
| H15 | C26 | C25 | H27 | 64.1° | 60.0° |
| H15 | C26 | C25 | H28 | 55.3° | 60.0° |
| H16 | C28 | C31 | H31 | 0.0° | 0.3° |
| H33 | C36 | H34 | H35 | 120.0° | 120.0° |
