1I8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C42 | doub | 1.38Å | 1.55Å | Aromatic |
| C41 | C38 | sing | 1.38Å | 1.55Å | Aromatic |
| C42 | C39 | sing | 1.38Å | 1.56Å | Aromatic |
| C38 | C33 | doub | 1.39Å | 1.57Å | Aromatic |
| C39 | C35 | doub | 1.39Å | 1.56Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.50Å | Aromatic |
| C33 | C30 | sing | 1.51Å | 1.55Å | |
| C35 | C34 | sing | 1.51Å | 1.59Å | |
| C30 | C29 | sing | 1.53Å | 1.49Å | |
| C34 | N09 | sing | 1.47Å | 1.45Å | |
| C29 | N09 | sing | 1.47Å | 1.48Å | |
| C29 | C28 | sing | 1.51Å | 1.59Å | |
| C28 | N07 | sing | 1.35Å | 1.51Å | |
| C28 | O03 | doub | 1.21Å | 1.19Å | |
| N07 | C23 | sing | 1.46Å | 1.48Å | |
| C18 | N04 | sing | 1.47Å | 1.51Å | |
| C18 | C13 | sing | 1.53Å | 1.54Å | |
| O02 | C22 | doub | 1.21Å | 1.18Å | |
| C16 | N05 | sing | 1.46Å | 1.47Å | |
| C16 | C10 | sing | 1.53Å | 1.57Å | |
| C22 | N04 | sing | 1.35Å | 1.52Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| N04 | C17 | sing | 1.47Å | 1.52Å | |
| C24 | N05 | sing | 1.34Å | 1.33Å | Aromatic |
| C24 | N08 | doub | 1.31Å | 1.35Å | Aromatic |
| N05 | N06 | sing | 1.40Å | 1.35Å | Aromatic |
| N08 | C26 | sing | 1.33Å | 1.33Å | Aromatic |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C17 | C12 | sing | 1.53Å | 1.54Å | |
| N06 | C26 | doub | 1.31Å | 1.34Å | Aromatic |
| C13 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C12 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| C25 | C27 | sing | 1.51Å | 1.56Å | |
| C15 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C11 | C14 | sing | 1.53Å | 1.51Å | |
| C27 | C32 | doub | 1.38Å | 1.53Å | Aromatic |
| C27 | C31 | sing | 1.38Å | 1.52Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.54Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C14 | C19 | sing | 1.53Å | 1.53Å | |
| C31 | C36 | doub | 1.38Å | 1.55Å | Aromatic |
| C37 | C40 | doub | 1.38Å | 1.52Å | Aromatic |
| C21 | C19 | sing | 1.53Å | 1.54Å | |
| C36 | C40 | sing | 1.38Å | 1.52Å | Aromatic |
| C40 | CL1 | sing | 1.74Å | 1.79Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H39 | sing | 1.08Å | 1.08Å | |
| N07 | H40 | sing | 0.97Å | 1.00Å | |
| N09 | H41 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C41 | C38 | 120.3° | 119.8° |
| C41 | C42 | C39 | 120.6° | 119.9° |
| C42 | C41 | H38 | 119.9° | 120.1° |
| C41 | C42 | H39 | 119.7° | 120.1° |
| C41 | C38 | C33 | 118.0° | 120.4° |
| C41 | C38 | H36 | 121.0° | 119.9° |
| C38 | C41 | H38 | 119.9° | 120.1° |
| C42 | C39 | C35 | 118.4° | 120.4° |
| C42 | C39 | H37 | 120.8° | 119.8° |
| C39 | C42 | H39 | 119.7° | 120.1° |
| C38 | C33 | C35 | 122.0° | 119.9° |
| C38 | C33 | C30 | 124.8° | 118.5° |
| C33 | C38 | H36 | 121.0° | 119.8° |
| C39 | C35 | C33 | 120.7° | 119.7° |
| C39 | C35 | C34 | 125.8° | 118.4° |
| C35 | C39 | H37 | 120.8° | 119.8° |
| C35 | C33 | C30 | 113.1° | 121.7° |
| C33 | C35 | C34 | 113.4° | 121.9° |
| C33 | C30 | C29 | 107.1° | 109.9° |
| C33 | C30 | H28 | 110.1° | 109.4° |
| C33 | C30 | H29 | 110.1° | 109.3° |
| C35 | C34 | N09 | 114.0° | 110.5° |
| C35 | C34 | H32 | 108.3° | 109.3° |
| C35 | C34 | H33 | 108.3° | 109.3° |
| C30 | C29 | N09 | 113.9° | 108.5° |
| C30 | C29 | C28 | 111.5° | 109.6° |
| C30 | C29 | H27 | 107.8° | 109.8° |
| C29 | C30 | H28 | 110.0° | 109.4° |
| C29 | C30 | H29 | 110.0° | 109.4° |
| C34 | N09 | C29 | 114.7° | 110.3° |
| N09 | C34 | H32 | 108.3° | 109.3° |
| N09 | C34 | H33 | 108.3° | 109.3° |
| C34 | N09 | H41 | 108.2° | 111.0° |
| N09 | C29 | C28 | 109.0° | 109.6° |
| N09 | C29 | H27 | 107.8° | 109.7° |
| C29 | N09 | H41 | 108.2° | 111.0° |
| C29 | C28 | N07 | 120.6° | 120.0° |
| C29 | C28 | O03 | 116.6° | 120.0° |
| C28 | C29 | H27 | 106.6° | 109.6° |
| N07 | C28 | O03 | 122.8° | 120.0° |
| C28 | N07 | C23 | 126.3° | 120.0° |
| C28 | N07 | H40 | 116.9° | 120.0° |
| N07 | C23 | C22 | 112.1° | 109.5° |
| N07 | C23 | C25 | 113.3° | 109.5° |
| N07 | C23 | H24 | 107.7° | 109.5° |
| C23 | N07 | H40 | 116.9° | 120.0° |
| N04 | C18 | C13 | 111.5° | 108.8° |
| C18 | N04 | C22 | 126.3° | 120.6° |
| C18 | N04 | C17 | 110.3° | 118.8° |
| N04 | C18 | H20 | 108.9° | 109.6° |
| N04 | C18 | H21 | 109.0° | 109.6° |
| C18 | C13 | C10 | 110.9° | 109.3° |
| C18 | C13 | H1 | 109.1° | 109.5° |
| C18 | C13 | H2 | 109.1° | 109.5° |
| C13 | C18 | H20 | 109.0° | 109.6° |
| C13 | C18 | H21 | 108.9° | 109.6° |
| O02 | C22 | N04 | 120.5° | 120.0° |
| O02 | C22 | C23 | 120.5° | 120.0° |
| N05 | C16 | C10 | 113.1° | 109.4° |
| C16 | N05 | C24 | 125.6° | 126.8° |
| C16 | N05 | N06 | 126.8° | 126.9° |
| N05 | C16 | H18 | 108.6° | 109.5° |
| N05 | C16 | H19 | 108.6° | 109.5° |
| C16 | C10 | C13 | 108.4° | 109.4° |
| C16 | C10 | C12 | 108.3° | 109.5° |
| C16 | C10 | C11 | 110.6° | 109.5° |
| C10 | C16 | H18 | 108.6° | 109.5° |
| C10 | C16 | H19 | 108.5° | 109.4° |
| N04 | C22 | C23 | 118.9° | 120.0° |
| C22 | N04 | C17 | 123.4° | 120.6° |
| C22 | C23 | C25 | 109.3° | 109.4° |
| C22 | C23 | H24 | 107.1° | 109.5° |
| N04 | C17 | C12 | 113.3° | 108.8° |
| N04 | C17 | H5 | 108.5° | 109.6° |
| N04 | C17 | H6 | 108.5° | 109.7° |
| N05 | C24 | N08 | 108.1° | 108.1° |
| C24 | N05 | N06 | 107.7° | 106.3° |
| N05 | C24 | H11 | 125.9° | 126.0° |
| C24 | N08 | C26 | 108.1° | 109.8° |
| N08 | C24 | H11 | 126.0° | 126.0° |
| N05 | N06 | C26 | 108.1° | 106.9° |
| N08 | C26 | N06 | 108.0° | 108.9° |
| N08 | C26 | H12 | 126.0° | 125.5° |
| C23 | C25 | C27 | 111.7° | 109.5° |
| C25 | C23 | H24 | 107.0° | 109.5° |
| C23 | C25 | H25 | 108.9° | 109.5° |
| C23 | C25 | H26 | 108.9° | 109.5° |
| C17 | C12 | C10 | 111.8° | 109.3° |
| C12 | C17 | H5 | 108.5° | 109.6° |
| C12 | C17 | H6 | 108.5° | 109.6° |
| C17 | C12 | H14 | 108.9° | 109.4° |
| C17 | C12 | H15 | 108.9° | 109.5° |
| N06 | C26 | H12 | 126.0° | 125.6° |
| C13 | C10 | C12 | 110.4° | 109.5° |
| C13 | C10 | C11 | 110.9° | 109.5° |
| C10 | C13 | H1 | 109.1° | 109.5° |
| C10 | C13 | H2 | 109.1° | 109.5° |
| C12 | C10 | C11 | 108.2° | 109.4° |
| C10 | C12 | H14 | 108.9° | 109.5° |
| C10 | C12 | H15 | 108.9° | 109.5° |
| C10 | C11 | C15 | 110.1° | 109.5° |
| C10 | C11 | C14 | 110.4° | 109.5° |
| C10 | C11 | H13 | 107.9° | 109.5° |
| C25 | C27 | C32 | 120.8° | 120.0° |
| C25 | C27 | C31 | 119.6° | 120.0° |
| C27 | C25 | H25 | 108.9° | 109.5° |
| C27 | C25 | H26 | 108.9° | 109.5° |
| C11 | C15 | C20 | 111.2° | 109.5° |
| C15 | C11 | C14 | 111.1° | 109.5° |
| C11 | C15 | H3 | 109.0° | 109.5° |
| C11 | C15 | H4 | 109.1° | 109.5° |
| C15 | C11 | H13 | 108.5° | 109.5° |
| C15 | C20 | C21 | 111.9° | 109.5° |
| C20 | C15 | H3 | 109.1° | 109.4° |
| C20 | C15 | H4 | 109.0° | 109.5° |
| C15 | C20 | H7 | 108.8° | 109.5° |
| C15 | C20 | H8 | 108.9° | 109.5° |
| C11 | C14 | C19 | 110.9° | 109.5° |
| C14 | C11 | H13 | 108.8° | 109.4° |
| C11 | C14 | H16 | 109.1° | 109.4° |
| C11 | C14 | H17 | 109.1° | 109.5° |
| C32 | C27 | C31 | 119.7° | 120.1° |
| C27 | C32 | C37 | 120.3° | 120.0° |
| C27 | C32 | H31 | 119.8° | 120.0° |
| C27 | C31 | C36 | 120.0° | 120.0° |
| C27 | C31 | H30 | 120.0° | 120.0° |
| C32 | C37 | C40 | 119.8° | 120.0° |
| C37 | C32 | H31 | 119.9° | 120.0° |
| C32 | C37 | H35 | 120.1° | 120.0° |
| C20 | C21 | C19 | 112.4° | 109.5° |
| C21 | C20 | H7 | 108.9° | 109.4° |
| C21 | C20 | H8 | 108.9° | 109.4° |
| C20 | C21 | H9 | 108.8° | 109.5° |
| C20 | C21 | H10 | 108.7° | 109.4° |
| C14 | C19 | C21 | 112.6° | 109.5° |
| C19 | C14 | H16 | 109.1° | 109.4° |
| C19 | C14 | H17 | 109.1° | 109.5° |
| C14 | C19 | H22 | 108.7° | 109.4° |
| C14 | C19 | H23 | 108.7° | 109.5° |
| C31 | C36 | C40 | 120.2° | 120.0° |
| C36 | C31 | H30 | 120.0° | 120.0° |
| C31 | C36 | H34 | 119.9° | 119.9° |
| C37 | C40 | C36 | 119.9° | 120.0° |
| C37 | C40 | CL1 | 120.2° | 120.0° |
| C40 | C37 | H35 | 120.1° | 120.0° |
| C19 | C21 | H9 | 108.7° | 109.5° |
| C19 | C21 | H10 | 108.7° | 109.5° |
| C21 | C19 | H22 | 108.7° | 109.5° |
| C21 | C19 | H23 | 108.7° | 109.5° |
| C36 | C40 | CL1 | 119.8° | 120.0° |
| C40 | C36 | H34 | 119.9° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.6° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.4° | 109.6° |
| H16 | C14 | H17 | 109.4° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.7° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.4° |
| H32 | C34 | H33 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C41 | C38 | H38 | 180.0° | 179.9° |
| C41 | C42 | C39 | H39 | 180.0° | 180.0° |
| C42 | C41 | C38 | C33 | 0.5° | 0.0° |
| C41 | C42 | C39 | C35 | 0.3° | 0.1° |
| C42 | C41 | C38 | H36 | 179.5° | 180.0° |
| C41 | C42 | C39 | H37 | 179.6° | 179.9° |
| C38 | C41 | C42 | C39 | 0.1° | 0.0° |
| C41 | C38 | C33 | H36 | 180.0° | 180.0° |
| C41 | C38 | C33 | C35 | 1.2° | 0.2° |
| C41 | C38 | C33 | C30 | 179.2° | 179.8° |
| C38 | C41 | C42 | H39 | 179.9° | 179.9° |
| C42 | C39 | C35 | H37 | 180.0° | 180.0° |
| C42 | C39 | C35 | C33 | 1.0° | 0.2° |
| C42 | C39 | C35 | C34 | 179.5° | 179.7° |
| C39 | C42 | C41 | H38 | 179.9° | 179.9° |
| C38 | C33 | C35 | C39 | 1.5° | 0.3° |
| C38 | C33 | C35 | C30 | 178.2° | 180.0° |
| C38 | C33 | C35 | C34 | 179.8° | 179.7° |
| C38 | C33 | C30 | C29 | 128.0° | 163.1° |
| C38 | C33 | C30 | H28 | 112.3° | 43.0° |
| C38 | C33 | C30 | H29 | 8.4° | 76.8° |
| C33 | C38 | C41 | H38 | 179.5° | 180.0° |
| C39 | C35 | C33 | C34 | 178.7° | 180.0° |
| C39 | C35 | C33 | C30 | 179.7° | 179.7° |
| C39 | C35 | C34 | N09 | 136.2° | 162.7° |
| C39 | C35 | C34 | H32 | 15.6° | 77.1° |
| C39 | C35 | C34 | H33 | 103.1° | 42.4° |
| C35 | C39 | C42 | H39 | 179.7° | 180.0° |
| C35 | C33 | C30 | C29 | 50.1° | 16.9° |
| C33 | C35 | C34 | N09 | 45.2° | 17.4° |
| C35 | C33 | C30 | H28 | 69.5° | 137.0° |
| C35 | C33 | C30 | H29 | 169.8° | 103.2° |
| C33 | C35 | C34 | H32 | 165.9° | 102.9° |
| C33 | C35 | C34 | H33 | 75.5° | 137.6° |
| C35 | C33 | C38 | H36 | 178.8° | 179.9° |
| C33 | C35 | C39 | H37 | 178.9° | 179.8° |
| C30 | C33 | C35 | C34 | 1.6° | 0.3° |
| C33 | C30 | C29 | H28 | 119.6° | 120.1° |
| C33 | C30 | C29 | H29 | 119.7° | 120.0° |
| C33 | C30 | C29 | N09 | 64.8° | 50.4° |
| C33 | C30 | C29 | C28 | 171.3° | 170.2° |
| C33 | C30 | C29 | H27 | 54.7° | 69.4° |
| C33 | C30 | H28 | H29 | 121.1° | 119.7° |
| C30 | C33 | C38 | H36 | 0.8° | 0.1° |
| C35 | C34 | N09 | H32 | 120.7° | 120.3° |
| C35 | C34 | N09 | H33 | 120.7° | 120.3° |
| C35 | C34 | N09 | C29 | 33.1° | 52.4° |
| C35 | C34 | H32 | H33 | 117.9° | 119.5° |
| C34 | C35 | C39 | H37 | 0.4° | 0.3° |
| C35 | C34 | N09 | H41 | 87.7° | 175.9° |
| C30 | C29 | N09 | C34 | 21.8° | 71.3° |
| C30 | C29 | N09 | C28 | 125.2° | 119.7° |
| C30 | C29 | N09 | H27 | 119.5° | 119.9° |
| C30 | C29 | C28 | H27 | 117.3° | 120.5° |
| C30 | C29 | C28 | N07 | 18.3° | 81.0° |
| C30 | C29 | C28 | O03 | 161.6° | 99.1° |
| C29 | C30 | H28 | H29 | 121.1° | 119.8° |
| C30 | C29 | N09 | H41 | 142.6° | 165.2° |
| C34 | N09 | C29 | H41 | 120.8° | 123.5° |
| C34 | N09 | C29 | C28 | 147.0° | 169.0° |
| C34 | N09 | C29 | H27 | 97.7° | 48.6° |
| N09 | C34 | H32 | H33 | 117.9° | 119.5° |
| N09 | C29 | C28 | H27 | 116.1° | 120.4° |
| N09 | C29 | C28 | N07 | 108.3° | 160.0° |
| N09 | C29 | C28 | O03 | 71.9° | 20.0° |
| N09 | C29 | C30 | H28 | 54.9° | 170.6° |
| N09 | C29 | C30 | H29 | 175.6° | 69.6° |
| C29 | N09 | C34 | H32 | 153.7° | 67.8° |
| C29 | N09 | C34 | H33 | 87.6° | 172.7° |
| C29 | C28 | N07 | O03 | 179.8° | 179.9° |
| C29 | C28 | N07 | C23 | 179.8° | 180.0° |
| C28 | C29 | C30 | H28 | 69.0° | 69.7° |
| C28 | C29 | C30 | H29 | 51.7° | 50.1° |
| C29 | C28 | N07 | H40 | 0.2° | 0.0° |
| C28 | C29 | N09 | H41 | 92.2° | 45.5° |
| C28 | N07 | C23 | H40 | 180.0° | 180.0° |
| C28 | N07 | C23 | C22 | 94.0° | 155.0° |
| C28 | N07 | C23 | C25 | 30.4° | 85.0° |
| C28 | N07 | C23 | H24 | 148.5° | 35.0° |
| N07 | C28 | C29 | H27 | 135.6° | 39.5° |
| O03 | C28 | N07 | C23 | 0.4° | 0.1° |
| O03 | C28 | C29 | H27 | 44.2° | 140.4° |
| O03 | C28 | N07 | H40 | 179.6° | 180.0° |
| N07 | C23 | C22 | O02 | 60.0° | 20.3° |
| N07 | C23 | C22 | N04 | 121.6° | 159.6° |
| N07 | C23 | C22 | C25 | 126.5° | 120.0° |
| N07 | C23 | C22 | H24 | 117.9° | 120.0° |
| N07 | C23 | C25 | H24 | 118.5° | 120.0° |
| N07 | C23 | C25 | C27 | 178.8° | 64.7° |
| N07 | C23 | C25 | H25 | 60.8° | 175.3° |
| N07 | C23 | C25 | H26 | 58.5° | 55.3° |
| N04 | C18 | C13 | H20 | 120.3° | 119.8° |
| N04 | C18 | C13 | H21 | 120.3° | 119.7° |
| C18 | N04 | C22 | O02 | 0.8° | 174.9° |
| C18 | N04 | C22 | C17 | 179.5° | 180.0° |
| C18 | N04 | C22 | C23 | 179.3° | 5.0° |
| C18 | N04 | C17 | C12 | 51.3° | 53.6° |
| N04 | C18 | C13 | C10 | 57.9° | 54.6° |
| N04 | C18 | C13 | H1 | 178.1° | 65.3° |
| N04 | C18 | C13 | H2 | 62.3° | 174.6° |
| C18 | N04 | C17 | H5 | 171.9° | 66.2° |
| C18 | N04 | C17 | H6 | 69.3° | 173.5° |
| N04 | C18 | H20 | H21 | 119.1° | 120.3° |
| C18 | C13 | C10 | C16 | 60.1° | 58.6° |
| C13 | C18 | N04 | C22 | 126.9° | 126.4° |
| C13 | C18 | N04 | C17 | 53.5° | 53.6° |
| C18 | C13 | C10 | H1 | 120.2° | 120.0° |
| C18 | C13 | C10 | H2 | 120.2° | 120.0° |
| C18 | C13 | C10 | C12 | 58.3° | 61.4° |
| C18 | C13 | C10 | C11 | 178.3° | 178.6° |
| C18 | C13 | H1 | H2 | 119.4° | 120.1° |
| C13 | C18 | H20 | H21 | 119.0° | 120.4° |
| O02 | C22 | N04 | C23 | 178.4° | 179.9° |
| O02 | C22 | N04 | C17 | 179.6° | 5.0° |
| O02 | C22 | C23 | C25 | 66.6° | 99.6° |
| O02 | C22 | C23 | H24 | 177.9° | 140.4° |
| N05 | C16 | C10 | H18 | 120.5° | 120.0° |
| N05 | C16 | C10 | H19 | 120.5° | 119.9° |
| C16 | N05 | C24 | N06 | 179.8° | 180.0° |
| C16 | N05 | C24 | N08 | 180.0° | 180.0° |
| C16 | N05 | N06 | C26 | 179.8° | 180.0° |
| N05 | C16 | C10 | C13 | 169.0° | 174.5° |
| N05 | C16 | C10 | C12 | 71.2° | 54.5° |
| N05 | C16 | C10 | C11 | 47.2° | 65.5° |
| C16 | N05 | C24 | H11 | 0.1° | 0.3° |
| N05 | C16 | H18 | H19 | 118.3° | 120.0° |
| C10 | C16 | N05 | C24 | 96.5° | 122.6° |
| C10 | C16 | N05 | N06 | 83.7° | 57.4° |
| C16 | C10 | C12 | C17 | 62.8° | 58.6° |
| C16 | C10 | C13 | C12 | 118.5° | 120.0° |
| C16 | C10 | C13 | C11 | 121.6° | 120.0° |
| C16 | C10 | C12 | C11 | 120.0° | 120.0° |
| C16 | C10 | C11 | C15 | 66.0° | 60.0° |
| C16 | C10 | C11 | C14 | 171.0° | 179.9° |
| C16 | C10 | C13 | H1 | 60.1° | 178.6° |
| C16 | C10 | C13 | H2 | 179.6° | 61.4° |
| C16 | C10 | C11 | H13 | 52.2° | 60.0° |
| C16 | C10 | C12 | H14 | 176.9° | 61.3° |
| C16 | C10 | C12 | H15 | 57.6° | 178.5° |
| C10 | C16 | H18 | H19 | 118.3° | 120.0° |
| N04 | C22 | C23 | C25 | 111.8° | 80.5° |
| C22 | N04 | C17 | C12 | 129.1° | 126.4° |
| C22 | N04 | C17 | H5 | 8.5° | 113.8° |
| C22 | N04 | C17 | H6 | 110.3° | 6.5° |
| C22 | N04 | C18 | H20 | 112.8° | 6.6° |
| C22 | N04 | C18 | H21 | 6.6° | 113.8° |
| N04 | C22 | C23 | H24 | 3.7° | 39.5° |
| C23 | C22 | N04 | C17 | 1.2° | 175.1° |
| C22 | C23 | C25 | H24 | 115.6° | 120.0° |
| C22 | C23 | C25 | C27 | 55.3° | 175.3° |
| C22 | C23 | C25 | H25 | 65.0° | 55.4° |
| C22 | C23 | C25 | H26 | 175.7° | 64.7° |
| C22 | C23 | N07 | H40 | 86.1° | 25.0° |
| N04 | C17 | C12 | H5 | 120.6° | 119.7° |
| N04 | C17 | C12 | H6 | 120.6° | 119.9° |
| N04 | C17 | C12 | C10 | 53.2° | 54.6° |
| N04 | C17 | H5 | H6 | 118.2° | 120.4° |
| N04 | C17 | C12 | H14 | 67.2° | 174.6° |
| N04 | C17 | C12 | H15 | 173.6° | 65.3° |
| C17 | N04 | C18 | H20 | 66.8° | 173.4° |
| C17 | N04 | C18 | H21 | 173.8° | 66.2° |
| N05 | C24 | N08 | H11 | 180.0° | 179.7° |
| N05 | C24 | N08 | C26 | 0.2° | 0.0° |
| C24 | N05 | N06 | C26 | 0.0° | 0.0° |
| C24 | N05 | C16 | H18 | 143.0° | 2.6° |
| C24 | N05 | C16 | H19 | 24.1° | 117.4° |
| N08 | C24 | N05 | N06 | 0.1° | 0.0° |
| C24 | N08 | C26 | N06 | 0.2° | 0.0° |
| C24 | N08 | C26 | H12 | 179.8° | 180.0° |
| N05 | N06 | C26 | N08 | 0.1° | 0.0° |
| N06 | N05 | C24 | H11 | 179.9° | 179.7° |
| N05 | N06 | C26 | H12 | 179.8° | 180.0° |
| N06 | N05 | C16 | H18 | 36.8° | 177.4° |
| N06 | N05 | C16 | H19 | 155.7° | 62.6° |
| N08 | C26 | N06 | H12 | 180.0° | 180.0° |
| C26 | N08 | C24 | H11 | 179.8° | 179.7° |
| C23 | C25 | C27 | H25 | 120.4° | 120.0° |
| C23 | C25 | C27 | H26 | 120.3° | 120.0° |
| C23 | C25 | C27 | C32 | 87.4° | 90.0° |
| C23 | C25 | C27 | C31 | 93.0° | 89.7° |
| C23 | C25 | H25 | H26 | 118.9° | 120.0° |
| C25 | C23 | N07 | H40 | 149.6° | 95.0° |
| C17 | C12 | C10 | C13 | 55.7° | 61.4° |
| C17 | C12 | C10 | H14 | 120.3° | 119.9° |
| C17 | C12 | C10 | H15 | 120.4° | 119.9° |
| C17 | C12 | C10 | C11 | 177.2° | 178.6° |
| C12 | C17 | H5 | H6 | 118.3° | 120.3° |
| C17 | C12 | H14 | H15 | 118.9° | 120.1° |
| C13 | C10 | C12 | C11 | 121.5° | 120.0° |
| C13 | C10 | C11 | C15 | 54.3° | 59.9° |
| C13 | C10 | C11 | C14 | 68.8° | 60.1° |
| C10 | C13 | H1 | H2 | 119.4° | 120.0° |
| C13 | C10 | C11 | H13 | 172.5° | 180.0° |
| C13 | C10 | C12 | H14 | 64.6° | 178.7° |
| C13 | C10 | C12 | H15 | 176.1° | 58.5° |
| C13 | C10 | C16 | H18 | 48.4° | 54.5° |
| C13 | C10 | C16 | H19 | 70.5° | 65.5° |
| C10 | C13 | C18 | H20 | 62.4° | 174.4° |
| C10 | C13 | C18 | H21 | 178.2° | 65.1° |
| C12 | C10 | C11 | C15 | 175.5° | 180.0° |
| C12 | C10 | C11 | C14 | 52.4° | 60.0° |
| C12 | C10 | C13 | H1 | 178.5° | 58.6° |
| C12 | C10 | C13 | H2 | 61.9° | 178.6° |
| C10 | C12 | C17 | H5 | 173.7° | 65.1° |
| C10 | C12 | C17 | H6 | 67.4° | 174.6° |
| C12 | C10 | C11 | H13 | 66.3° | 60.0° |
| C10 | C12 | H14 | H15 | 119.0° | 120.1° |
| C12 | C10 | C16 | H18 | 168.2° | 65.5° |
| C12 | C10 | C16 | H19 | 49.3° | 174.4° |
| C10 | C11 | C15 | C14 | 122.6° | 120.0° |
| C10 | C11 | C15 | H13 | 117.8° | 120.0° |
| C10 | C11 | C15 | C20 | 179.9° | 180.0° |
| C10 | C11 | C14 | H13 | 118.2° | 120.0° |
| C10 | C11 | C14 | C19 | 178.8° | 180.0° |
| C11 | C10 | C13 | H1 | 61.5° | 61.4° |
| C11 | C10 | C13 | H2 | 58.0° | 58.6° |
| C10 | C11 | C15 | H3 | 59.9° | 60.0° |
| C10 | C11 | C15 | H4 | 59.6° | 60.0° |
| C11 | C10 | C12 | H14 | 56.9° | 58.7° |
| C11 | C10 | C12 | H15 | 62.4° | 61.5° |
| C10 | C11 | C14 | H16 | 58.6° | 60.0° |
| C10 | C11 | C14 | H17 | 60.9° | 60.0° |
| C11 | C10 | C16 | H18 | 73.3° | 174.5° |
| C11 | C10 | C16 | H19 | 167.8° | 54.5° |
| C25 | C27 | C32 | C31 | 179.5° | 179.7° |
| C25 | C27 | C32 | C37 | 180.0° | 180.0° |
| C25 | C27 | C31 | C36 | 179.8° | 180.0° |
| C27 | C25 | C23 | H24 | 60.3° | 55.3° |
| C27 | C25 | H25 | H26 | 119.0° | 120.0° |
| C25 | C27 | C31 | H30 | 0.2° | 0.0° |
| C25 | C27 | C32 | H31 | 0.0° | 0.0° |
| C11 | C15 | C20 | H3 | 120.2° | 120.0° |
| C11 | C15 | C20 | H4 | 120.3° | 120.0° |
| C15 | C11 | C14 | H13 | 119.3° | 120.0° |
| C11 | C15 | C20 | C21 | 54.5° | 60.0° |
| C15 | C11 | C14 | C19 | 56.4° | 60.0° |
| C11 | C15 | H3 | H4 | 119.2° | 120.0° |
| C11 | C15 | C20 | H7 | 65.8° | 60.0° |
| C11 | C15 | C20 | H8 | 174.9° | 180.0° |
| C15 | C11 | C14 | H16 | 63.8° | 60.0° |
| C15 | C11 | C14 | H17 | 176.6° | 180.0° |
| C20 | C15 | C11 | C14 | 57.2° | 60.0° |
| C15 | C20 | C21 | H7 | 120.3° | 120.0° |
| C15 | C20 | C21 | H8 | 120.4° | 120.0° |
| C15 | C20 | C21 | C19 | 51.6° | 60.0° |
| C20 | C15 | H3 | H4 | 119.2° | 120.0° |
| C15 | C20 | H7 | H8 | 118.9° | 120.0° |
| C15 | C20 | C21 | H9 | 172.0° | 180.0° |
| C15 | C20 | C21 | H10 | 68.8° | 60.0° |
| C20 | C15 | C11 | H13 | 62.3° | 60.0° |
| C11 | C14 | C19 | H16 | 120.2° | 119.9° |
| C11 | C14 | C19 | H17 | 120.2° | 120.1° |
| C11 | C14 | C19 | C21 | 53.5° | 60.0° |
| C14 | C11 | C15 | H3 | 177.5° | 60.0° |
| C14 | C11 | C15 | H4 | 63.0° | 180.0° |
| C11 | C14 | H16 | H17 | 119.3° | 120.0° |
| C11 | C14 | C19 | H22 | 174.0° | 60.0° |
| C11 | C14 | C19 | H23 | 66.9° | 180.0° |
| C27 | C32 | C37 | H31 | 180.0° | 180.0° |
| C32 | C27 | C31 | C36 | 0.3° | 0.3° |
| C27 | C32 | C37 | C40 | 0.4° | 0.1° |
| C32 | C27 | C25 | H25 | 33.0° | 30.0° |
| C32 | C27 | C25 | H26 | 152.3° | 150.0° |
| C32 | C27 | C31 | H30 | 179.7° | 179.7° |
| C27 | C32 | C37 | H35 | 179.6° | 180.0° |
| C31 | C27 | C32 | C37 | 0.5° | 0.2° |
| C27 | C31 | C36 | H30 | 180.0° | 180.0° |
| C27 | C31 | C36 | C40 | 0.0° | 0.0° |
| C31 | C27 | C25 | H25 | 146.6° | 150.3° |
| C31 | C27 | C25 | H26 | 27.3° | 30.3° |
| C31 | C27 | C32 | H31 | 179.5° | 179.7° |
| C27 | C31 | C36 | H34 | 180.0° | 180.0° |
| C32 | C37 | C40 | H35 | 180.0° | 179.9° |
| C32 | C37 | C40 | C36 | 0.1° | 0.4° |
| C32 | C37 | C40 | CL1 | 179.8° | 180.0° |
| C20 | C21 | C19 | C14 | 51.3° | 60.0° |
| C20 | C21 | C19 | H9 | 120.4° | 120.0° |
| C20 | C21 | C19 | H10 | 120.4° | 120.0° |
| C21 | C20 | C15 | H3 | 174.8° | 60.0° |
| C21 | C20 | C15 | H4 | 65.7° | 180.0° |
| C21 | C20 | H7 | H8 | 118.9° | 119.9° |
| C20 | C21 | H9 | H10 | 118.7° | 120.0° |
| C20 | C21 | C19 | H22 | 171.7° | 60.0° |
| C20 | C21 | C19 | H23 | 69.2° | 180.0° |
| C14 | C19 | C21 | H22 | 120.4° | 119.9° |
| C14 | C19 | C21 | H23 | 120.5° | 120.0° |
| C14 | C19 | C21 | H9 | 171.7° | 180.0° |
| C14 | C19 | C21 | H10 | 69.1° | 60.0° |
| C19 | C14 | C11 | H13 | 62.9° | 60.0° |
| C19 | C14 | H16 | H17 | 119.3° | 120.0° |
| C14 | C19 | H22 | H23 | 118.6° | 120.0° |
| C31 | C36 | C40 | C37 | 0.1° | 0.3° |
| C31 | C36 | C40 | H34 | 180.0° | 180.0° |
| C31 | C36 | C40 | CL1 | 180.0° | 180.0° |
| C37 | C40 | C36 | CL1 | 179.9° | 179.7° |
| C40 | C37 | C32 | H31 | 179.6° | 179.9° |
| C37 | C40 | C36 | H34 | 179.9° | 179.7° |
| C19 | C21 | C20 | H7 | 68.8° | 60.0° |
| C19 | C21 | C20 | H8 | 172.0° | 180.0° |
| C19 | C21 | H9 | H10 | 118.7° | 120.0° |
| C21 | C19 | C14 | H16 | 66.7° | 60.0° |
| C21 | C19 | C14 | H17 | 173.8° | 180.0° |
| C21 | C19 | H22 | H23 | 118.6° | 120.1° |
| C40 | C36 | C31 | H30 | 180.0° | 180.0° |
| C36 | C40 | C37 | H35 | 179.9° | 179.7° |
| CL1 | C40 | C36 | H34 | 0.0° | 0.0° |
| CL1 | C40 | C37 | H35 | 0.2° | 0.0° |
| H1 | C13 | C18 | H20 | 57.8° | 54.5° |
| H1 | C13 | C18 | H21 | 61.6° | 174.9° |
| H2 | C13 | C18 | H20 | 177.4° | 65.6° |
| H2 | C13 | C18 | H21 | 58.0° | 54.9° |
| H3 | C15 | C20 | H7 | 54.4° | 180.0° |
| H3 | C15 | C20 | H8 | 64.9° | 60.0° |
| H3 | C15 | C11 | H13 | 58.0° | 179.9° |
| H4 | C15 | C20 | H7 | 173.9° | 60.0° |
| H4 | C15 | C20 | H8 | 54.6° | 60.0° |
| H4 | C15 | C11 | H13 | 177.5° | 60.0° |
| H5 | C17 | C12 | H14 | 53.4° | 54.8° |
| H5 | C17 | C12 | H15 | 65.9° | 175.0° |
| H6 | C17 | C12 | H14 | 172.3° | 65.5° |
| H6 | C17 | C12 | H15 | 53.0° | 54.6° |
| H7 | C20 | C21 | H9 | 51.7° | 60.0° |
| H7 | C20 | C21 | H10 | 170.8° | 180.0° |
| H8 | C20 | C21 | H9 | 67.6° | 60.0° |
| H8 | C20 | C21 | H10 | 51.5° | 60.0° |
| H9 | C21 | C19 | H22 | 67.8° | 60.0° |
| H9 | C21 | C19 | H23 | 51.3° | 60.0° |
| H10 | C21 | C19 | H22 | 51.3° | 179.9° |
| H10 | C21 | C19 | H23 | 170.4° | 60.0° |
| H13 | C11 | C14 | H16 | 176.8° | 180.0° |
| H13 | C11 | C14 | H17 | 57.3° | 60.1° |
| H16 | C14 | C19 | H22 | 53.7° | 180.0° |
| H16 | C14 | C19 | H23 | 172.9° | 60.1° |
| H17 | C14 | C19 | H22 | 65.8° | 60.1° |
| H17 | C14 | C19 | H23 | 53.3° | 59.9° |
| H24 | C23 | C25 | H25 | 179.4° | 64.7° |
| H24 | C23 | C25 | H26 | 60.0° | 175.3° |
| H24 | C23 | N07 | H40 | 31.5° | 145.0° |
| H27 | C29 | C30 | H28 | 174.4° | 50.7° |
| H27 | C29 | C30 | H29 | 64.9° | 170.6° |
| H27 | C29 | N09 | H41 | 23.1° | 74.8° |
| H30 | C31 | C36 | H34 | 0.0° | 0.0° |
| H31 | C32 | C37 | H35 | 0.4° | 0.0° |
| H32 | C34 | N09 | H41 | 33.0° | 55.7° |
| H33 | C34 | N09 | H41 | 151.6° | 63.8° |
| H36 | C38 | C41 | H38 | 0.5° | 0.1° |
| H37 | C39 | C42 | H39 | 0.3° | 0.0° |
| H38 | C41 | C42 | H39 | 0.1° | 0.1° |
