TFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C27 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.55Å | 1.54Å | |
| C9 | C7 | sing | 1.55Å | 1.54Å | |
| C8 | C5 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.52Å | 1.50Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| N35 | N34 | doub | 1.29Å | 1.40Å | Aromatic |
| N35 | N36 | sing | 1.29Å | 1.42Å | Aromatic |
| N34 | N33 | sing | 1.29Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C39 | C28 | doub | 1.33Å | 1.33Å | |
| C16 | C14 | sing | 1.53Å | 1.53Å | |
| C7 | C14 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.52Å | 1.53Å | |
| C28 | C23 | sing | 1.48Å | 1.48Å | |
| O22 | C19 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.56Å | 1.52Å | |
| C5 | C4 | sing | 1.50Å | 1.51Å | |
| O29 | C25 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C10 | C4 | doub | 1.33Å | 1.35Å | |
| C10 | C11 | sing | 1.46Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C30 | sing | 1.53Å | 1.53Å | |
| N36 | C37 | doub | 1.31Å | 1.36Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| N33 | C32 | sing | 1.47Å | 1.47Å | |
| N33 | C37 | sing | 1.35Å | 1.34Å | Aromatic |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C6 | C13 | sing | 1.53Å | 1.54Å | |
| C6 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.52Å | 1.52Å | |
| C23 | C11 | doub | 1.35Å | 1.35Å | |
| C23 | C24 | sing | 1.52Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C37 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| O29 | H10 | sing | 0.97Å | 0.95Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C39 | H13 | sing | 1.08Å | 1.08Å | |
| C39 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| C18 | H40 | sing | 1.09Å | 1.10Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| O22 | H42 | sing | 0.97Å | 0.95Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C21 | H44 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C20 | H46 | sing | 1.09Å | 1.10Å | |
| C20 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C27 | C28 | 112.2° | 109.7° |
| O31 | C27 | C26 | 113.0° | 109.7° |
| C27 | O31 | H1 | 109.5° | 114.0° |
| O31 | C27 | H2 | 108.3° | 109.7° |
| C8 | C9 | C7 | 105.2° | 106.3° |
| C9 | C8 | C5 | 103.9° | 102.8° |
| C9 | C8 | H22 | 110.9° | 110.7° |
| C9 | C8 | H23 | 110.9° | 110.9° |
| C8 | C9 | H24 | 110.5° | 110.1° |
| C8 | C9 | H25 | 110.5° | 110.1° |
| C9 | C7 | C14 | 118.4° | 110.3° |
| C9 | C7 | C6 | 105.6° | 105.0° |
| C7 | C9 | H24 | 110.6° | 110.1° |
| C7 | C9 | H25 | 110.5° | 110.1° |
| C9 | C7 | H26 | 104.7° | 110.3° |
| C8 | C5 | C6 | 105.4° | 101.2° |
| C8 | C5 | C4 | 122.0° | 116.6° |
| C8 | C5 | H21 | 106.0° | 111.1° |
| C5 | C8 | H22 | 110.8° | 110.7° |
| C5 | C8 | H23 | 110.8° | 110.8° |
| C28 | C27 | C26 | 108.7° | 108.4° |
| C27 | C28 | C39 | 121.3° | 121.6° |
| C27 | C28 | C23 | 115.6° | 116.8° |
| C28 | C27 | H2 | 107.4° | 109.7° |
| C27 | C26 | C25 | 109.6° | 109.8° |
| C27 | C26 | C30 | 117.4° | 109.4° |
| C26 | C27 | H2 | 106.9° | 109.7° |
| C27 | C26 | H3 | 107.8° | 109.4° |
| N34 | N35 | N36 | 107.2° | 109.4° |
| N35 | N34 | N33 | 104.6° | 108.8° |
| N35 | N36 | C37 | 108.9° | 108.0° |
| N34 | N33 | C32 | 114.0° | 126.4° |
| N34 | N33 | C37 | 111.9° | 107.2° |
| C14 | C15 | C17 | 110.2° | 109.5° |
| C15 | C14 | C16 | 111.2° | 109.5° |
| C15 | C14 | C7 | 118.3° | 109.5° |
| C15 | C14 | H32 | 106.1° | 109.4° |
| C14 | C15 | H36 | 109.3° | 109.5° |
| C14 | C15 | H37 | 109.3° | 109.5° |
| C15 | C17 | C18 | 113.3° | 109.5° |
| C17 | C15 | H36 | 109.3° | 109.4° |
| C17 | C15 | H37 | 109.3° | 109.5° |
| C15 | C17 | H38 | 108.5° | 109.5° |
| C15 | C17 | H39 | 108.5° | 109.5° |
| C39 | C28 | C23 | 123.0° | 121.6° |
| C28 | C39 | H13 | 120.0° | 120.0° |
| C28 | C39 | H14 | 120.0° | 120.0° |
| C16 | C14 | C7 | 108.3° | 109.5° |
| C16 | C14 | H32 | 106.1° | 109.5° |
| C14 | C16 | H33 | 109.5° | 109.4° |
| C14 | C16 | H34 | 109.5° | 109.5° |
| C14 | C16 | H35 | 109.5° | 109.5° |
| C14 | C7 | C6 | 117.0° | 110.3° |
| C14 | C7 | H26 | 104.7° | 110.3° |
| C7 | C14 | H32 | 106.0° | 109.5° |
| C7 | C6 | C5 | 98.9° | 103.2° |
| C7 | C6 | C13 | 110.5° | 109.2° |
| C7 | C6 | C1 | 116.2° | 118.3° |
| C6 | C7 | H26 | 104.9° | 110.4° |
| C28 | C23 | C11 | 126.3° | 121.6° |
| C28 | C23 | C24 | 117.5° | 116.8° |
| O22 | C19 | C18 | 109.4° | 109.4° |
| O22 | C19 | C20 | 107.8° | 109.5° |
| O22 | C19 | C21 | 109.1° | 109.5° |
| C19 | O22 | H42 | 109.5° | 114.0° |
| C6 | C5 | C4 | 109.7° | 105.5° |
| C5 | C6 | C13 | 111.5° | 109.2° |
| C5 | C6 | C1 | 107.9° | 107.6° |
| C6 | C5 | H21 | 106.2° | 110.9° |
| C5 | C4 | C10 | 122.5° | 122.4° |
| C5 | C4 | C3 | 116.4° | 115.2° |
| C4 | C5 | H21 | 106.3° | 110.8° |
| O29 | C25 | C26 | 109.1° | 109.4° |
| O29 | C25 | C24 | 110.2° | 109.4° |
| O29 | C25 | H9 | 109.6° | 109.4° |
| C25 | O29 | H10 | 109.5° | 114.0° |
| C17 | C18 | C19 | 115.8° | 109.5° |
| C18 | C17 | H38 | 108.5° | 109.5° |
| C18 | C17 | H39 | 108.5° | 109.5° |
| C17 | C18 | H40 | 107.9° | 109.5° |
| C17 | C18 | H41 | 107.9° | 109.5° |
| C18 | C19 | C20 | 110.4° | 109.5° |
| C18 | C19 | C21 | 110.7° | 109.4° |
| C19 | C18 | H40 | 107.9° | 109.5° |
| C19 | C18 | H41 | 107.9° | 109.5° |
| C4 | C10 | C11 | 120.8° | 120.1° |
| C10 | C4 | C3 | 121.1° | 122.4° |
| C4 | C10 | H16 | 119.6° | 120.0° |
| C10 | C11 | C23 | 127.3° | 120.1° |
| C10 | C11 | H15 | 116.4° | 119.9° |
| C11 | C10 | H16 | 119.6° | 119.9° |
| C25 | C26 | C30 | 105.7° | 109.4° |
| C26 | C25 | C24 | 111.3° | 109.8° |
| C25 | C26 | H3 | 108.0° | 109.4° |
| C26 | C25 | H9 | 108.4° | 109.4° |
| C26 | C30 | C32 | 114.9° | 109.5° |
| C30 | C26 | H3 | 108.0° | 109.4° |
| C26 | C30 | H4 | 108.1° | 109.5° |
| C26 | C30 | H5 | 108.1° | 109.5° |
| N36 | C37 | N33 | 107.3° | 106.6° |
| N36 | C37 | H8 | 126.3° | 126.7° |
| C20 | C19 | C21 | 109.3° | 109.5° |
| C19 | C20 | H46 | 109.5° | 109.5° |
| C19 | C20 | H47 | 109.5° | 109.5° |
| C19 | C20 | H48 | 109.5° | 109.5° |
| C32 | N33 | C37 | 134.1° | 126.4° |
| N33 | C32 | C30 | 114.1° | 109.5° |
| N33 | C32 | H6 | 108.3° | 109.5° |
| N33 | C32 | H7 | 108.3° | 109.5° |
| N33 | C37 | H8 | 126.4° | 126.7° |
| C19 | C21 | H43 | 109.5° | 109.4° |
| C19 | C21 | H44 | 109.5° | 109.4° |
| C19 | C21 | H45 | 109.5° | 109.5° |
| C32 | C30 | H4 | 108.1° | 109.5° |
| C32 | C30 | H5 | 108.1° | 109.4° |
| C30 | C32 | H6 | 108.3° | 109.5° |
| C30 | C32 | H7 | 108.3° | 109.4° |
| C13 | C6 | C1 | 111.2° | 109.0° |
| C6 | C13 | H27 | 109.5° | 109.5° |
| C6 | C13 | H28 | 109.5° | 109.4° |
| C6 | C13 | H29 | 109.4° | 109.5° |
| C6 | C1 | C2 | 113.7° | 107.4° |
| C6 | C1 | H30 | 108.4° | 109.9° |
| C6 | C1 | H31 | 108.4° | 109.8° |
| C4 | C3 | C2 | 111.1° | 110.7° |
| C4 | C3 | H17 | 109.1° | 109.2° |
| C4 | C3 | H18 | 109.1° | 109.2° |
| C11 | C23 | C24 | 116.2° | 121.6° |
| C23 | C11 | H15 | 116.4° | 120.0° |
| C23 | C24 | C25 | 111.9° | 108.4° |
| C23 | C24 | H11 | 108.9° | 109.7° |
| C23 | C24 | H12 | 108.9° | 109.7° |
| C24 | C25 | H9 | 108.2° | 109.5° |
| C25 | C24 | H11 | 108.8° | 109.7° |
| C25 | C24 | H12 | 108.9° | 109.7° |
| C1 | C2 | C3 | 114.9° | 111.8° |
| C1 | C2 | H19 | 108.1° | 109.1° |
| C1 | C2 | H20 | 108.1° | 109.0° |
| C2 | C1 | H30 | 108.4° | 110.2° |
| C2 | C1 | H31 | 108.4° | 109.6° |
| C2 | C3 | H17 | 109.1° | 109.2° |
| C2 | C3 | H18 | 109.1° | 109.2° |
| C3 | C2 | H19 | 108.1° | 109.0° |
| C3 | C2 | H20 | 108.1° | 109.0° |
| H4 | C30 | H5 | 109.5° | 109.5° |
| H6 | C32 | H7 | 109.4° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.6° |
| H13 | C39 | H14 | 120.0° | 120.0° |
| H17 | C3 | H18 | 109.4° | 109.2° |
| H19 | C2 | H20 | 109.5° | 109.0° |
| H22 | C8 | H23 | 109.5° | 110.7° |
| H24 | C9 | H25 | 109.4° | 110.1° |
| H27 | C13 | H28 | 109.5° | 109.5° |
| H27 | C13 | H29 | 109.5° | 109.5° |
| H28 | C13 | H29 | 109.5° | 109.5° |
| H30 | C1 | H31 | 109.4° | 109.9° |
| H33 | C16 | H34 | 109.5° | 109.4° |
| H33 | C16 | H35 | 109.5° | 109.4° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H36 | C15 | H37 | 109.5° | 109.5° |
| H38 | C17 | H39 | 109.5° | 109.4° |
| H40 | C18 | H41 | 109.4° | 109.5° |
| H43 | C21 | H44 | 109.5° | 109.5° |
| H43 | C21 | H45 | 109.4° | 109.5° |
| H44 | C21 | H45 | 109.5° | 109.5° |
| H46 | C20 | H47 | 109.5° | 109.5° |
| H46 | C20 | H48 | 109.5° | 109.4° |
| H47 | C20 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C27 | C28 | C26 | 125.7° | 119.7° |
| O31 | C27 | C28 | H2 | 119.0° | 120.5° |
| O31 | C27 | C26 | H2 | 119.1° | 120.6° |
| O31 | C27 | C28 | C39 | 0.1° | 106.8° |
| O31 | C27 | C28 | C23 | 176.9° | 73.2° |
| O31 | C27 | C26 | C25 | 173.8° | 62.0° |
| O31 | C27 | C26 | C30 | 65.7° | 58.0° |
| O31 | C27 | C26 | H3 | 56.5° | 177.9° |
| C8 | C9 | C7 | H24 | 119.3° | 119.2° |
| C8 | C9 | C7 | H25 | 119.3° | 119.2° |
| C9 | C8 | C5 | H22 | 119.1° | 118.3° |
| C9 | C8 | C5 | H23 | 119.1° | 118.5° |
| C8 | C9 | C7 | C14 | 157.0° | 122.9° |
| C8 | C9 | C7 | C6 | 23.7° | 4.0° |
| C9 | C8 | C5 | C6 | 31.3° | 42.2° |
| C9 | C8 | C5 | C4 | 157.2° | 156.1° |
| C9 | C8 | C5 | H21 | 81.2° | 75.6° |
| C9 | C8 | H22 | H23 | 122.6° | 123.4° |
| C8 | C9 | H24 | H25 | 122.0° | 121.6° |
| C8 | C9 | C7 | H26 | 86.8° | 115.0° |
| C7 | C9 | C8 | C5 | 4.4° | 24.1° |
| C9 | C7 | C14 | C15 | 36.8° | 61.4° |
| C9 | C7 | C14 | C16 | 90.9° | 178.6° |
| C9 | C7 | C14 | C6 | 128.2° | 115.6° |
| C9 | C7 | C14 | H26 | 116.2° | 122.1° |
| C9 | C7 | C6 | H26 | 110.4° | 118.9° |
| C9 | C7 | C6 | C5 | 41.8° | 30.2° |
| C9 | C7 | C6 | C13 | 75.2° | 85.8° |
| C9 | C7 | C6 | C1 | 156.8° | 148.9° |
| C7 | C9 | C8 | H22 | 123.5° | 94.1° |
| C7 | C9 | C8 | H23 | 114.7° | 142.6° |
| C7 | C9 | H24 | H25 | 122.0° | 121.5° |
| C9 | C7 | C14 | H32 | 155.6° | 58.5° |
| C8 | C5 | C6 | C7 | 44.9° | 45.5° |
| C8 | C5 | C6 | C4 | 133.2° | 121.9° |
| C8 | C5 | C6 | H21 | 112.3° | 118.0° |
| C8 | C5 | C4 | H21 | 121.5° | 128.5° |
| C8 | C5 | C4 | C10 | 3.1° | 10.4° |
| C8 | C5 | C6 | C13 | 71.3° | 70.5° |
| C8 | C5 | C6 | C1 | 166.3° | 171.4° |
| C8 | C5 | C4 | C3 | 178.1° | 169.4° |
| C5 | C8 | H22 | H23 | 122.6° | 123.2° |
| C5 | C8 | C9 | H24 | 123.7° | 143.3° |
| C5 | C8 | C9 | H25 | 115.0° | 95.1° |
| C28 | C27 | C26 | H2 | 115.7° | 119.7° |
| C27 | C28 | C39 | C23 | 176.5° | 180.0° |
| C28 | C27 | C26 | C25 | 61.0° | 57.7° |
| C28 | C27 | C26 | C30 | 59.5° | 177.8° |
| C27 | C28 | C23 | C11 | 138.3° | 136.9° |
| C27 | C28 | C23 | C24 | 41.8° | 43.0° |
| C28 | C27 | O31 | H1 | 180.0° | 60.0° |
| C28 | C27 | C26 | H3 | 178.3° | 62.4° |
| C27 | C28 | C39 | H13 | 176.5° | 0.0° |
| C27 | C28 | C39 | H14 | 3.5° | 180.0° |
| C26 | C27 | C28 | C39 | 125.5° | 133.4° |
| C26 | C27 | C28 | C23 | 51.3° | 46.6° |
| C27 | C26 | C25 | O29 | 60.6° | 173.7° |
| C27 | C26 | C25 | C30 | 127.4° | 120.1° |
| C27 | C26 | C25 | H3 | 117.2° | 120.1° |
| C27 | C26 | C30 | H3 | 122.1° | 119.8° |
| C27 | C26 | C30 | C32 | 77.4° | 65.1° |
| C27 | C26 | C25 | C24 | 61.3° | 66.2° |
| C26 | C27 | O31 | H1 | 56.8° | 178.9° |
| C27 | C26 | C30 | H4 | 43.4° | 54.9° |
| C27 | C26 | C30 | H5 | 161.8° | 175.0° |
| C27 | C26 | C25 | H9 | 179.9° | 53.9° |
| N34 | N35 | N36 | C37 | 0.7° | 0.3° |
| N35 | N34 | N33 | C32 | 179.7° | 179.9° |
| N35 | N34 | N33 | C37 | 0.2° | 0.4° |
| N36 | N35 | N34 | N33 | 0.6° | 0.5° |
| N35 | N36 | C37 | N33 | 0.6° | 0.1° |
| N35 | N36 | C37 | H8 | 179.4° | 180.0° |
| N34 | N33 | C37 | N36 | 0.2° | 0.2° |
| N34 | N33 | C32 | C37 | 179.9° | 179.7° |
| N34 | N33 | C32 | C30 | 143.4° | 55.3° |
| N34 | N33 | C32 | H6 | 96.0° | 175.3° |
| N34 | N33 | C32 | H7 | 22.7° | 64.7° |
| N34 | N33 | C37 | H8 | 179.7° | 179.7° |
| C14 | C15 | C17 | H36 | 120.1° | 120.0° |
| C14 | C15 | C17 | H37 | 120.1° | 120.0° |
| C15 | C14 | C16 | C7 | 131.6° | 120.0° |
| C15 | C14 | C16 | H32 | 114.9° | 119.9° |
| C15 | C14 | C7 | H32 | 118.8° | 119.9° |
| C15 | C14 | C7 | C6 | 91.4° | 177.0° |
| C14 | C15 | C17 | C18 | 159.7° | 180.0° |
| C15 | C14 | C7 | H26 | 153.0° | 60.7° |
| C15 | C14 | C16 | H33 | 180.0° | 180.0° |
| C15 | C14 | C16 | H34 | 60.0° | 60.0° |
| C15 | C14 | C16 | H35 | 60.0° | 60.1° |
| C14 | C15 | H36 | H37 | 119.7° | 120.0° |
| C14 | C15 | C17 | H38 | 79.7° | 60.0° |
| C14 | C15 | C17 | H39 | 39.2° | 60.0° |
| C17 | C15 | C14 | C16 | 81.5° | 65.0° |
| C17 | C15 | C14 | C7 | 152.2° | 175.0° |
| C15 | C17 | C18 | H38 | 120.6° | 120.0° |
| C15 | C17 | C18 | H39 | 120.6° | 120.0° |
| C15 | C17 | C18 | C19 | 157.9° | 180.0° |
| C17 | C15 | C14 | H32 | 33.4° | 55.0° |
| C17 | C15 | H36 | H37 | 119.7° | 120.0° |
| C15 | C17 | H38 | H39 | 118.2° | 120.0° |
| C15 | C17 | C18 | H40 | 81.2° | 60.0° |
| C15 | C17 | C18 | H41 | 36.9° | 60.0° |
| C39 | C28 | C23 | C11 | 45.0° | 43.1° |
| C39 | C28 | C23 | C24 | 135.0° | 137.0° |
| C39 | C28 | C27 | H2 | 119.1° | 13.7° |
| C28 | C39 | H13 | H14 | 180.0° | 180.0° |
| C16 | C14 | C7 | H32 | 113.5° | 120.1° |
| C16 | C14 | C7 | C6 | 141.0° | 62.9° |
| C16 | C14 | C7 | H26 | 25.3° | 59.3° |
| C14 | C16 | H33 | H34 | 120.0° | 120.0° |
| C14 | C16 | H33 | H35 | 120.0° | 120.0° |
| C14 | C16 | H34 | H35 | 120.0° | 120.1° |
| C16 | C14 | C15 | H36 | 158.4° | 175.0° |
| C16 | C14 | C15 | H37 | 38.6° | 55.0° |
| C14 | C7 | C6 | H26 | 115.6° | 122.2° |
| C14 | C7 | C6 | C5 | 175.9° | 149.1° |
| C14 | C7 | C6 | C13 | 58.9° | 33.1° |
| C14 | C7 | C6 | C1 | 69.1° | 92.2° |
| C14 | C7 | C9 | H24 | 37.7° | 3.7° |
| C14 | C7 | C9 | H25 | 83.7° | 117.9° |
| C7 | C14 | C16 | H33 | 48.4° | 60.0° |
| C7 | C14 | C16 | H34 | 168.4° | 180.0° |
| C7 | C14 | C16 | H35 | 71.6° | 59.9° |
| C7 | C14 | C15 | H36 | 32.1° | 55.0° |
| C7 | C14 | C15 | H37 | 87.7° | 65.0° |
| C7 | C6 | C5 | C13 | 116.2° | 116.1° |
| C7 | C6 | C5 | C1 | 121.3° | 125.9° |
| C7 | C6 | C5 | C4 | 178.1° | 167.5° |
| C7 | C6 | C13 | C1 | 130.6° | 130.6° |
| C7 | C6 | C1 | C2 | 166.8° | 175.3° |
| C7 | C6 | C5 | H21 | 67.3° | 72.4° |
| C6 | C7 | C9 | H24 | 95.7° | 115.2° |
| C6 | C7 | C9 | H25 | 143.0° | 123.2° |
| C7 | C6 | C13 | H27 | 180.0° | 45.2° |
| C7 | C6 | C13 | H28 | 60.0° | 74.8° |
| C7 | C6 | C13 | H29 | 60.0° | 165.3° |
| C7 | C6 | C1 | H30 | 72.6° | 64.8° |
| C7 | C6 | C1 | H31 | 46.1° | 56.2° |
| C6 | C7 | C14 | H32 | 27.4° | 57.1° |
| C28 | C23 | C11 | C10 | 0.4° | 0.0° |
| C28 | C23 | C11 | C24 | 179.9° | 180.0° |
| C28 | C23 | C24 | C25 | 39.1° | 46.6° |
| C23 | C28 | C27 | H2 | 64.1° | 166.3° |
| C28 | C23 | C24 | H11 | 81.3° | 73.2° |
| C28 | C23 | C24 | H12 | 159.4° | 166.4° |
| C23 | C28 | C39 | H13 | 0.0° | 180.0° |
| C23 | C28 | C39 | H14 | 180.0° | 0.0° |
| C28 | C23 | C11 | H15 | 179.6° | 180.0° |
| O22 | C19 | C18 | C17 | 60.2° | 60.0° |
| O22 | C19 | C18 | C20 | 118.6° | 120.0° |
| O22 | C19 | C18 | C21 | 120.3° | 120.0° |
| O22 | C19 | C20 | C21 | 118.5° | 120.1° |
| O22 | C19 | C18 | H40 | 178.9° | 180.0° |
| O22 | C19 | C18 | H41 | 60.7° | 60.0° |
| O22 | C19 | C21 | H43 | 180.0° | 180.0° |
| O22 | C19 | C21 | H44 | 60.0° | 60.0° |
| O22 | C19 | C21 | H45 | 60.0° | 60.0° |
| O22 | C19 | C20 | H46 | 180.0° | 60.0° |
| O22 | C19 | C20 | H47 | 60.0° | 60.0° |
| O22 | C19 | C20 | H48 | 60.0° | 180.0° |
| C6 | C5 | C4 | H21 | 114.5° | 120.1° |
| C6 | C5 | C4 | C10 | 120.8° | 121.9° |
| C5 | C6 | C13 | C1 | 120.5° | 117.2° |
| C6 | C5 | C4 | C3 | 58.0° | 57.9° |
| C5 | C6 | C1 | C2 | 56.9° | 68.4° |
| C6 | C5 | C8 | H22 | 150.4° | 76.1° |
| C6 | C5 | C8 | H23 | 87.8° | 160.8° |
| C5 | C6 | C7 | H26 | 68.6° | 88.7° |
| C5 | C6 | C13 | H27 | 71.1° | 67.0° |
| C5 | C6 | C13 | H28 | 48.9° | 173.0° |
| C5 | C6 | C13 | H29 | 168.9° | 53.1° |
| C5 | C6 | C1 | H30 | 177.6° | 51.5° |
| C5 | C6 | C1 | H31 | 63.7° | 172.5° |
| C5 | C4 | C10 | C3 | 178.8° | 179.8° |
| C5 | C4 | C10 | C11 | 179.9° | 179.7° |
| C4 | C5 | C6 | C13 | 61.8° | 51.4° |
| C4 | C5 | C6 | C1 | 60.6° | 66.7° |
| C5 | C4 | C3 | C2 | 45.7° | 50.0° |
| C5 | C4 | C10 | H16 | 0.1° | 0.3° |
| C5 | C4 | C3 | H17 | 74.6° | 70.3° |
| C5 | C4 | C3 | H18 | 165.9° | 170.3° |
| C4 | C5 | C8 | H22 | 83.7° | 37.8° |
| C4 | C5 | C8 | H23 | 38.1° | 85.3° |
| O29 | C25 | C26 | C24 | 121.8° | 120.1° |
| O29 | C25 | C26 | H9 | 119.3° | 119.8° |
| O29 | C25 | C26 | C30 | 172.0° | 53.6° |
| O29 | C25 | C24 | C23 | 72.5° | 177.8° |
| O29 | C25 | C24 | H9 | 119.8° | 119.8° |
| O29 | C25 | C26 | H3 | 56.6° | 66.3° |
| O29 | C25 | C24 | H11 | 167.2° | 58.0° |
| O29 | C25 | C24 | H12 | 47.9° | 62.5° |
| C17 | C18 | C19 | H40 | 120.9° | 120.0° |
| C17 | C18 | C19 | H41 | 120.9° | 120.0° |
| C17 | C18 | C19 | C20 | 178.8° | 180.0° |
| C17 | C18 | C19 | C21 | 60.1° | 60.0° |
| C18 | C17 | C15 | H36 | 39.6° | 60.0° |
| C18 | C17 | C15 | H37 | 80.2° | 60.0° |
| C18 | C17 | H38 | H39 | 118.2° | 120.0° |
| C17 | C18 | H40 | H41 | 117.1° | 120.0° |
| C18 | C19 | C20 | C21 | 121.9° | 120.0° |
| C19 | C18 | C17 | H38 | 37.3° | 60.0° |
| C19 | C18 | C17 | H39 | 81.6° | 60.0° |
| C19 | C18 | H40 | H41 | 117.1° | 120.0° |
| C18 | C19 | O22 | H42 | 180.0° | 60.0° |
| C18 | C19 | C21 | H43 | 59.5° | 60.1° |
| C18 | C19 | C21 | H44 | 179.5° | 180.0° |
| C18 | C19 | C21 | H45 | 60.4° | 60.0° |
| C18 | C19 | C20 | H46 | 60.5° | 60.0° |
| C18 | C19 | C20 | H47 | 59.5° | 180.0° |
| C18 | C19 | C20 | H48 | 179.5° | 60.0° |
| C4 | C10 | C11 | H16 | 180.0° | 180.0° |
| C4 | C10 | C11 | C23 | 153.6° | 180.0° |
| C10 | C4 | C3 | C2 | 133.2° | 129.8° |
| C4 | C10 | C11 | H15 | 26.4° | 0.0° |
| C10 | C4 | C3 | H17 | 106.6° | 109.9° |
| C10 | C4 | C3 | H18 | 12.9° | 9.5° |
| C10 | C4 | C5 | H21 | 124.7° | 118.0° |
| C11 | C10 | C4 | C3 | 1.1° | 0.0° |
| C10 | C11 | C23 | H15 | 180.0° | 180.0° |
| C10 | C11 | C23 | C24 | 179.6° | 180.0° |
| C25 | C26 | C30 | H3 | 115.4° | 119.9° |
| C25 | C26 | C30 | C32 | 160.1° | 174.6° |
| C26 | C25 | C24 | C23 | 48.7° | 57.7° |
| C26 | C25 | C24 | H9 | 119.0° | 120.1° |
| C25 | C26 | C27 | H2 | 54.7° | 177.4° |
| C25 | C26 | C30 | H4 | 79.1° | 65.4° |
| C25 | C26 | C30 | H5 | 39.3° | 54.7° |
| C26 | C25 | O29 | H10 | 180.0° | 180.0° |
| C26 | C25 | C24 | H11 | 71.6° | 62.0° |
| C26 | C25 | C24 | H12 | 169.1° | 177.5° |
| C26 | C30 | C32 | N33 | 67.1° | 180.0° |
| C26 | C30 | C32 | H4 | 120.8° | 120.0° |
| C26 | C30 | C32 | H5 | 120.8° | 120.0° |
| C30 | C26 | C25 | C24 | 66.1° | 173.7° |
| C30 | C26 | C27 | H2 | 175.2° | 62.5° |
| C26 | C30 | H4 | H5 | 117.6° | 120.0° |
| C26 | C30 | C32 | H6 | 172.2° | 60.0° |
| C26 | C30 | C32 | H7 | 53.6° | 60.0° |
| C30 | C26 | C25 | H9 | 52.7° | 66.2° |
| N36 | C37 | N33 | C32 | 179.9° | 179.9° |
| N36 | C37 | N33 | H8 | 180.0° | 179.9° |
| C20 | C19 | C18 | H40 | 60.3° | 60.0° |
| C20 | C19 | C18 | H41 | 57.8° | 60.0° |
| C20 | C19 | O22 | H42 | 59.9° | 60.0° |
| C20 | C19 | C21 | H43 | 62.3° | 59.9° |
| C20 | C19 | C21 | H44 | 57.7° | 60.0° |
| C20 | C19 | C21 | H45 | 177.8° | 180.0° |
| C19 | C20 | H46 | H47 | 120.0° | 120.0° |
| C19 | C20 | H46 | H48 | 120.0° | 120.0° |
| C19 | C20 | H47 | H48 | 120.0° | 120.0° |
| N33 | C32 | C30 | H6 | 120.7° | 120.0° |
| N33 | C32 | C30 | H7 | 120.7° | 120.0° |
| N33 | C32 | C30 | H4 | 172.1° | 60.0° |
| N33 | C32 | C30 | H5 | 53.8° | 60.0° |
| N33 | C32 | H6 | H7 | 117.9° | 120.1° |
| C32 | N33 | C37 | H8 | 0.1° | 0.0° |
| C37 | N33 | C32 | C30 | 36.8° | 125.0° |
| C37 | N33 | C32 | H6 | 83.9° | 5.0° |
| C37 | N33 | C32 | H7 | 157.5° | 115.0° |
| C21 | C19 | C18 | H40 | 60.8° | 60.0° |
| C21 | C19 | C18 | H41 | 179.0° | 180.0° |
| C21 | C19 | O22 | H42 | 58.8° | 179.9° |
| C19 | C21 | H43 | H44 | 120.0° | 119.9° |
| C19 | C21 | H43 | H45 | 120.0° | 120.0° |
| C19 | C21 | H44 | H45 | 120.0° | 120.0° |
| C21 | C19 | C20 | H46 | 61.5° | 179.9° |
| C21 | C19 | C20 | H47 | 178.5° | 60.0° |
| C21 | C19 | C20 | H48 | 58.5° | 60.0° |
| C32 | C30 | C26 | H3 | 44.7° | 54.8° |
| C32 | C30 | H4 | H5 | 117.5° | 119.9° |
| C30 | C32 | H6 | H7 | 117.9° | 119.9° |
| C13 | C6 | C1 | C2 | 65.7° | 49.9° |
| C13 | C6 | C5 | H21 | 176.4° | 171.5° |
| C13 | C6 | C7 | H26 | 174.4° | 155.3° |
| C6 | C13 | H27 | H28 | 120.0° | 120.0° |
| C6 | C13 | H27 | H29 | 120.0° | 120.0° |
| C6 | C13 | H28 | H29 | 120.0° | 120.0° |
| C13 | C6 | C1 | H30 | 55.0° | 169.7° |
| C13 | C6 | C1 | H31 | 173.7° | 69.3° |
| C6 | C1 | C2 | H30 | 120.6° | 119.7° |
| C6 | C1 | C2 | H31 | 120.6° | 119.3° |
| C6 | C1 | C2 | C3 | 47.3° | 59.3° |
| C6 | C1 | C2 | H19 | 73.5° | 179.9° |
| C6 | C1 | C2 | H20 | 168.1° | 61.2° |
| C1 | C6 | C5 | H21 | 54.0° | 53.4° |
| C1 | C6 | C7 | H26 | 46.5° | 30.0° |
| C1 | C6 | C13 | H27 | 49.4° | 175.8° |
| C1 | C6 | C13 | H28 | 169.4° | 55.8° |
| C1 | C6 | C13 | H29 | 70.6° | 64.1° |
| C6 | C1 | H30 | H31 | 118.0° | 121.0° |
| C4 | C3 | C2 | C1 | 39.2° | 48.6° |
| C4 | C3 | C2 | H17 | 120.3° | 120.3° |
| C4 | C3 | C2 | H18 | 120.3° | 120.3° |
| C3 | C4 | C10 | H16 | 178.9° | 179.9° |
| C4 | C3 | H17 | H18 | 119.3° | 119.4° |
| C4 | C3 | C2 | H19 | 81.6° | 169.2° |
| C4 | C3 | C2 | H20 | 160.0° | 71.9° |
| C3 | C4 | C5 | H21 | 56.5° | 62.2° |
| C11 | C23 | C24 | C25 | 141.0° | 133.4° |
| C11 | C23 | C24 | H11 | 98.7° | 106.8° |
| C11 | C23 | C24 | H12 | 20.6° | 13.6° |
| C23 | C11 | C10 | H16 | 26.4° | 0.0° |
| C23 | C24 | C25 | H11 | 120.4° | 119.7° |
| C23 | C24 | C25 | H12 | 120.4° | 119.8° |
| C23 | C24 | C25 | H9 | 167.7° | 62.4° |
| C23 | C24 | H11 | H12 | 118.9° | 120.5° |
| C24 | C23 | C11 | H15 | 0.4° | 0.0° |
| C24 | C25 | C26 | H3 | 178.5° | 53.8° |
| C24 | C25 | O29 | H10 | 57.5° | 59.7° |
| C25 | C24 | H11 | H12 | 118.9° | 120.6° |
| C1 | C2 | C3 | H19 | 120.8° | 120.6° |
| C1 | C2 | C3 | H20 | 120.8° | 120.5° |
| C1 | C2 | C3 | H17 | 81.1° | 71.7° |
| C1 | C2 | C3 | H18 | 159.4° | 168.9° |
| C1 | C2 | H19 | H20 | 117.5° | 118.9° |
| C2 | C1 | H30 | H31 | 118.1° | 120.9° |
| C2 | C3 | H17 | H18 | 119.2° | 119.4° |
| C3 | C2 | H19 | H20 | 117.5° | 118.9° |
| C3 | C2 | C1 | H30 | 168.0° | 60.3° |
| C3 | C2 | C1 | H31 | 73.3° | 178.6° |
| H1 | O31 | C27 | H2 | 61.5° | 60.5° |
| H2 | C27 | C26 | H3 | 62.6° | 57.3° |
| H3 | C26 | C30 | H4 | 165.5° | 174.8° |
| H3 | C26 | C30 | H5 | 76.1° | 65.2° |
| H3 | C26 | C25 | H9 | 62.7° | 174.0° |
| H4 | C30 | C32 | H6 | 51.4° | 180.0° |
| H4 | C30 | C32 | H7 | 67.2° | 60.0° |
| H5 | C30 | C32 | H6 | 66.9° | 60.0° |
| H5 | C30 | C32 | H7 | 174.4° | 180.0° |
| H9 | C25 | O29 | H10 | 61.5° | 60.2° |
| H9 | C25 | C24 | H11 | 47.3° | 177.9° |
| H9 | C25 | C24 | H12 | 71.9° | 57.4° |
| H15 | C11 | C10 | H16 | 153.6° | 180.0° |
| H17 | C3 | C2 | H19 | 158.1° | 48.9° |
| H17 | C3 | C2 | H20 | 39.7° | 167.8° |
| H18 | C3 | C2 | H19 | 38.6° | 70.5° |
| H18 | C3 | C2 | H20 | 79.8° | 48.4° |
| H19 | C2 | C1 | H30 | 47.2° | 60.3° |
| H19 | C2 | C1 | H31 | 165.9° | 60.8° |
| H20 | C2 | C1 | H30 | 71.2° | 179.1° |
| H20 | C2 | C1 | H31 | 47.5° | 58.1° |
| H21 | C5 | C8 | H22 | 37.9° | 166.1° |
| H21 | C5 | C8 | H23 | 159.7° | 43.0° |
| H22 | C8 | C9 | H24 | 117.2° | 25.1° |
| H22 | C8 | C9 | H25 | 4.1° | 146.6° |
| H23 | C8 | C9 | H24 | 4.6° | 98.2° |
| H23 | C8 | C9 | H25 | 126.0° | 23.3° |
| H24 | C9 | C7 | H26 | 153.9° | 125.8° |
| H25 | C9 | C7 | H26 | 32.5° | 4.2° |
| H26 | C7 | C14 | H32 | 88.2° | 179.4° |
| H27 | C13 | H28 | H29 | 120.0° | 120.0° |
| H32 | C14 | C16 | H33 | 65.1° | 60.1° |
| H32 | C14 | C16 | H34 | 54.9° | 59.9° |
| H32 | C14 | C16 | H35 | 174.9° | 180.0° |
| H32 | C14 | C15 | H36 | 86.7° | 65.0° |
| H32 | C14 | C15 | H37 | 153.5° | 175.0° |
| H33 | C16 | H34 | H35 | 120.0° | 120.0° |
| H36 | C15 | C17 | H38 | 160.2° | 180.0° |
| H36 | C15 | C17 | H39 | 81.0° | 60.0° |
| H37 | C15 | C17 | H38 | 40.4° | 60.0° |
| H37 | C15 | C17 | H39 | 159.3° | 180.0° |
| H38 | C17 | C18 | H40 | 158.2° | 180.0° |
| H38 | C17 | C18 | H41 | 83.6° | 60.0° |
| H39 | C17 | C18 | H40 | 39.4° | 60.0° |
| H39 | C17 | C18 | H41 | 157.5° | 180.0° |
| H43 | C21 | H44 | H45 | 120.0° | 120.1° |
| H46 | C20 | H47 | H48 | 120.0° | 120.0° |
