T5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C10 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C10 | C8 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C12 | C1 | sing | 1.53Å | 1.56Å | |
| C9 | C27 | sing | 1.53Å | 1.55Å | |
| C11 | C27 | sing | 1.53Å | 1.54Å | |
| C8 | C18 | sing | 1.53Å | 1.55Å | |
| C1 | C18 | sing | 1.53Å | 1.55Å | |
| C27 | C19 | sing | 1.53Å | 1.55Å | |
| O16 | C15 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | N17 | sing | 1.47Å | 1.49Å | |
| C15 | N17 | sing | 1.35Å | 1.33Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| O12 | S1 | doub | 1.42Å | 1.49Å | |
| O8 | C7 | doub | 1.21Å | 1.25Å | |
| N13 | C14 | sing | 1.46Å | 1.46Å | |
| N13 | S1 | sing | 1.66Å | 1.64Å | |
| C14 | C21 | sing | 1.53Å | 1.55Å | |
| S1 | O1 | doub | 1.42Å | 1.49Å | |
| S1 | N10 | sing | 1.66Å | 1.62Å | |
| O9 | C7 | sing | 1.34Å | 1.26Å | |
| C7 | C6 | sing | 1.51Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | C29 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| C28 | C25 | sing | 1.53Å | 1.55Å | |
| N10 | C6 | sing | 1.46Å | 1.49Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| N17 | H26 | sing | 0.97Å | 1.00Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| N13 | H35 | sing | 0.97Å | 1.00Å | |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| O9 | H38 | sing | 0.97Å | 0.95Å | |
| C5 | H39 | sing | 1.09Å | 1.10Å | |
| C5 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| N1 | H43 | sing | 1.01Å | 1.00Å | |
| N1 | H44 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C13 | C12 | 109.0° | 109.4° |
| C13 | C10 | C9 | 110.1° | 109.5° |
| C13 | C10 | C8 | 108.7° | 109.5° |
| C13 | C10 | H11 | 109.6° | 109.5° |
| C10 | C13 | H15 | 109.6° | 109.4° |
| C10 | C13 | H16 | 109.6° | 109.4° |
| C13 | C12 | C11 | 110.3° | 109.5° |
| C13 | C12 | C1 | 109.6° | 109.5° |
| C13 | C12 | H14 | 109.4° | 109.4° |
| C12 | C13 | H15 | 109.6° | 109.5° |
| C12 | C13 | H16 | 109.6° | 109.5° |
| C9 | C10 | C8 | 109.6° | 109.5° |
| C10 | C9 | C27 | 109.8° | 109.5° |
| C10 | C9 | H9 | 109.4° | 109.5° |
| C10 | C9 | H10 | 109.4° | 109.4° |
| C9 | C10 | H11 | 109.4° | 109.5° |
| C10 | C8 | C18 | 109.4° | 109.5° |
| C10 | C8 | H7 | 109.5° | 109.5° |
| C10 | C8 | H8 | 109.5° | 109.4° |
| C8 | C10 | H11 | 109.4° | 109.5° |
| C11 | C12 | C1 | 108.5° | 109.5° |
| C12 | C11 | C27 | 110.0° | 109.4° |
| C12 | C11 | H12 | 109.3° | 109.5° |
| C12 | C11 | H13 | 109.3° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C12 | C1 | C18 | 109.1° | 109.5° |
| C12 | C1 | H1 | 109.6° | 109.5° |
| C12 | C1 | H2 | 109.6° | 109.5° |
| C1 | C12 | H14 | 109.4° | 109.5° |
| C9 | C27 | C11 | 109.1° | 109.4° |
| C9 | C27 | C19 | 109.4° | 109.5° |
| C27 | C9 | H9 | 109.4° | 109.5° |
| C27 | C9 | H10 | 109.4° | 109.4° |
| C9 | C27 | H25 | 109.6° | 109.5° |
| C11 | C27 | C19 | 109.4° | 109.5° |
| C27 | C11 | H12 | 109.3° | 109.5° |
| C27 | C11 | H13 | 109.4° | 109.5° |
| C11 | C27 | H25 | 109.8° | 109.4° |
| C8 | C18 | C1 | 109.9° | 109.5° |
| C8 | C18 | C19 | 109.7° | 109.5° |
| C8 | C18 | N17 | 110.4° | 109.5° |
| C18 | C8 | H7 | 109.5° | 109.5° |
| C18 | C8 | H8 | 109.5° | 109.4° |
| C1 | C18 | C19 | 109.1° | 109.5° |
| C1 | C18 | N17 | 110.9° | 109.5° |
| C18 | C1 | H1 | 109.5° | 109.4° |
| C18 | C1 | H2 | 109.5° | 109.5° |
| C27 | C19 | C18 | 109.7° | 109.5° |
| C27 | C19 | H18 | 109.4° | 109.5° |
| C27 | C19 | H19 | 109.4° | 109.5° |
| C19 | C27 | H25 | 109.6° | 109.5° |
| O16 | C15 | N17 | 125.6° | 120.0° |
| O16 | C15 | C14 | 121.7° | 120.0° |
| C19 | C18 | N17 | 106.8° | 109.5° |
| C18 | C19 | H18 | 109.4° | 109.5° |
| C18 | C19 | H19 | 109.4° | 109.4° |
| C18 | N17 | C15 | 127.2° | 120.0° |
| C18 | N17 | H26 | 116.4° | 120.0° |
| N17 | C15 | C14 | 112.7° | 120.0° |
| C15 | N17 | H26 | 116.4° | 120.0° |
| C15 | C14 | N13 | 111.2° | 109.5° |
| C15 | C14 | C21 | 109.5° | 109.5° |
| C15 | C14 | H17 | 109.5° | 109.4° |
| O12 | S1 | N13 | 109.1° | 106.4° |
| O12 | S1 | O1 | 111.9° | 123.1° |
| O12 | S1 | N10 | 108.9° | 106.4° |
| O8 | C7 | O9 | 125.1° | 120.0° |
| O8 | C7 | C6 | 116.0° | 120.0° |
| C14 | N13 | S1 | 117.6° | 120.0° |
| N13 | C14 | C21 | 106.6° | 109.5° |
| N13 | C14 | H17 | 110.6° | 109.5° |
| C14 | N13 | H35 | 107.4° | 120.0° |
| N13 | S1 | O1 | 104.4° | 106.4° |
| N13 | S1 | N10 | 110.0° | 107.2° |
| S1 | N13 | H35 | 107.4° | 120.0° |
| C14 | C21 | C22 | 112.9° | 109.5° |
| C21 | C14 | H17 | 109.4° | 109.5° |
| C14 | C21 | H20 | 108.6° | 109.5° |
| C14 | C21 | H21 | 108.6° | 109.5° |
| O1 | S1 | N10 | 112.5° | 106.4° |
| S1 | N10 | C6 | 113.6° | 120.0° |
| S1 | N10 | H36 | 108.4° | 120.0° |
| O9 | C7 | C6 | 118.9° | 120.0° |
| C7 | O9 | H38 | 109.5° | 117.0° |
| C7 | C6 | N10 | 112.9° | 109.5° |
| C7 | C6 | C5 | 110.2° | 109.5° |
| C7 | C6 | H37 | 108.0° | 109.4° |
| C21 | C22 | C29 | 108.4° | 109.5° |
| C21 | C22 | C23 | 109.1° | 109.5° |
| C22 | C21 | H20 | 108.6° | 109.5° |
| C22 | C21 | H21 | 108.6° | 109.5° |
| C21 | C22 | H22 | 109.4° | 109.5° |
| C29 | C22 | C23 | 111.0° | 109.5° |
| C22 | C29 | C28 | 112.5° | 109.5° |
| C29 | C22 | H22 | 109.5° | 109.5° |
| C22 | C29 | H33 | 108.7° | 109.5° |
| C22 | C29 | H34 | 108.7° | 109.5° |
| C22 | C23 | C24 | 111.8° | 109.5° |
| C23 | C22 | H22 | 109.5° | 109.4° |
| C22 | C23 | H27 | 108.9° | 109.5° |
| C22 | C23 | H28 | 108.9° | 109.4° |
| C29 | C28 | C25 | 111.0° | 109.4° |
| C29 | C28 | H31 | 109.1° | 109.5° |
| C29 | C28 | H32 | 109.1° | 109.5° |
| C28 | C29 | H33 | 108.7° | 109.5° |
| C28 | C29 | H34 | 108.7° | 109.5° |
| C28 | C25 | C24 | 112.0° | 109.5° |
| C28 | C25 | H29 | 108.8° | 109.5° |
| C28 | C25 | H30 | 108.9° | 109.5° |
| C25 | C28 | H31 | 109.1° | 109.5° |
| C25 | C28 | H32 | 109.1° | 109.5° |
| N10 | C6 | C5 | 108.5° | 109.5° |
| C6 | N10 | H36 | 108.4° | 120.0° |
| N10 | C6 | H37 | 108.8° | 109.5° |
| C6 | C5 | C4 | 111.2° | 109.5° |
| C5 | C6 | H37 | 108.4° | 109.5° |
| C6 | C5 | H39 | 109.1° | 109.5° |
| C6 | C5 | H40 | 109.1° | 109.5° |
| C23 | C24 | C25 | 111.1° | 109.5° |
| C23 | C24 | H23 | 109.0° | 109.5° |
| C23 | C24 | H24 | 109.0° | 109.5° |
| C24 | C23 | H27 | 108.9° | 109.5° |
| C24 | C23 | H28 | 108.9° | 109.5° |
| C25 | C24 | H23 | 109.1° | 109.5° |
| C25 | C24 | H24 | 109.0° | 109.4° |
| C24 | C25 | H29 | 108.9° | 109.5° |
| C24 | C25 | H30 | 108.8° | 109.5° |
| C5 | C4 | C3 | 110.3° | 109.5° |
| C4 | C5 | H39 | 109.0° | 109.5° |
| C4 | C5 | H40 | 109.1° | 109.4° |
| C5 | C4 | H41 | 109.3° | 109.5° |
| C5 | C4 | H42 | 109.3° | 109.5° |
| C4 | C3 | C2 | 112.3° | 109.5° |
| C4 | C3 | H5 | 108.7° | 109.4° |
| C4 | C3 | H6 | 108.7° | 109.5° |
| C3 | C4 | H41 | 109.3° | 109.4° |
| C3 | C4 | H42 | 109.3° | 109.5° |
| N1 | C2 | C3 | 112.4° | 109.4° |
| N1 | C2 | H3 | 108.7° | 109.5° |
| N1 | C2 | H4 | 108.7° | 109.5° |
| C2 | N1 | H43 | 109.5° | 111.0° |
| C2 | N1 | H44 | 109.5° | 110.9° |
| C3 | C2 | H3 | 108.8° | 109.4° |
| C3 | C2 | H4 | 108.8° | 109.4° |
| C2 | C3 | H5 | 108.8° | 109.5° |
| C2 | C3 | H6 | 108.8° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.4° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.5° | 109.4° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H39 | C5 | H40 | 109.4° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| H43 | N1 | H44 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C13 | C12 | H15 | 119.9° | 119.9° |
| C10 | C13 | C12 | H16 | 119.9° | 120.0° |
| C13 | C10 | C9 | C8 | 119.6° | 120.0° |
| C13 | C10 | C9 | H11 | 120.5° | 120.0° |
| C13 | C10 | C8 | H11 | 119.6° | 120.0° |
| C10 | C13 | C12 | C11 | 58.5° | 60.0° |
| C10 | C13 | C12 | C1 | 61.0° | 60.0° |
| C13 | C10 | C9 | C27 | 60.2° | 60.0° |
| C13 | C10 | C8 | C18 | 61.2° | 60.0° |
| C13 | C10 | C8 | H7 | 178.9° | 180.0° |
| C13 | C10 | C8 | H8 | 58.8° | 59.9° |
| C13 | C10 | C9 | H9 | 59.9° | 60.0° |
| C13 | C10 | C9 | H10 | 179.8° | 180.0° |
| C10 | C13 | C12 | H14 | 179.0° | 180.0° |
| C10 | C13 | H15 | H16 | 120.2° | 120.0° |
| C12 | C13 | C10 | C9 | 58.7° | 60.0° |
| C12 | C13 | C10 | C8 | 61.4° | 60.0° |
| C13 | C12 | C11 | C1 | 120.1° | 120.1° |
| C13 | C12 | C11 | H14 | 120.5° | 119.9° |
| C13 | C12 | C1 | H14 | 120.0° | 120.0° |
| C13 | C12 | C11 | C27 | 59.4° | 60.1° |
| C13 | C12 | C1 | C18 | 59.4° | 60.0° |
| C13 | C12 | C1 | H1 | 60.5° | 59.9° |
| C13 | C12 | C1 | H2 | 179.3° | 180.0° |
| C12 | C13 | C10 | H11 | 179.1° | 180.0° |
| C13 | C12 | C11 | H12 | 179.5° | 180.0° |
| C13 | C12 | C11 | H13 | 60.7° | 60.0° |
| C12 | C13 | H15 | H16 | 120.2° | 120.1° |
| C9 | C10 | C8 | H11 | 120.0° | 120.0° |
| C10 | C9 | C27 | H9 | 120.0° | 120.1° |
| C10 | C9 | C27 | H10 | 120.0° | 120.0° |
| C10 | C9 | C27 | C11 | 59.9° | 60.1° |
| C9 | C10 | C8 | C18 | 59.2° | 60.0° |
| C10 | C9 | C27 | C19 | 59.6° | 60.0° |
| C9 | C10 | C8 | H7 | 60.8° | 60.0° |
| C9 | C10 | C8 | H8 | 179.2° | 180.0° |
| C10 | C9 | H9 | H10 | 119.8° | 120.0° |
| C9 | C10 | C13 | H15 | 178.7° | 180.0° |
| C9 | C10 | C13 | H16 | 61.2° | 60.0° |
| C10 | C9 | C27 | H25 | 179.8° | 180.0° |
| C8 | C10 | C9 | C27 | 59.4° | 60.0° |
| C10 | C8 | C18 | H7 | 120.0° | 120.1° |
| C10 | C8 | C18 | H8 | 120.0° | 119.9° |
| C10 | C8 | C18 | C1 | 60.2° | 60.0° |
| C10 | C8 | C18 | C19 | 59.7° | 60.0° |
| C10 | C8 | C18 | N17 | 177.1° | 180.0° |
| C10 | C8 | H7 | H8 | 120.0° | 120.0° |
| C8 | C10 | C9 | H9 | 179.5° | 179.9° |
| C8 | C10 | C9 | H10 | 60.7° | 60.0° |
| C8 | C10 | C13 | H15 | 58.6° | 60.0° |
| C8 | C10 | C13 | H16 | 178.7° | 180.0° |
| C11 | C12 | C1 | H14 | 119.5° | 120.0° |
| C12 | C11 | C27 | C9 | 59.6° | 60.1° |
| C12 | C11 | C27 | H12 | 120.1° | 120.0° |
| C12 | C11 | C27 | H13 | 120.1° | 120.0° |
| C11 | C12 | C1 | C18 | 61.1° | 60.0° |
| C12 | C11 | C27 | C19 | 60.0° | 60.0° |
| C11 | C12 | C1 | H1 | 178.9° | 180.0° |
| C11 | C12 | C1 | H2 | 58.8° | 60.0° |
| C12 | C11 | H12 | H13 | 119.8° | 120.0° |
| C11 | C12 | C13 | H15 | 178.4° | 180.0° |
| C11 | C12 | C13 | H16 | 61.5° | 59.9° |
| C12 | C11 | C27 | H25 | 179.7° | 180.0° |
| C1 | C12 | C11 | C27 | 60.7° | 60.0° |
| C12 | C1 | C18 | C8 | 59.1° | 60.0° |
| C12 | C1 | C18 | H1 | 120.0° | 120.0° |
| C12 | C1 | C18 | H2 | 119.9° | 120.0° |
| C12 | C1 | C18 | C19 | 61.2° | 60.0° |
| C12 | C1 | C18 | N17 | 178.5° | 180.0° |
| C12 | C1 | H1 | H2 | 120.2° | 120.0° |
| C1 | C12 | C11 | H12 | 59.3° | 60.0° |
| C1 | C12 | C11 | H13 | 179.2° | 180.0° |
| C1 | C12 | C13 | H15 | 59.0° | 59.9° |
| C1 | C12 | C13 | H16 | 179.1° | 180.0° |
| C9 | C27 | C11 | C19 | 119.6° | 120.0° |
| C9 | C27 | C11 | H25 | 120.1° | 119.9° |
| C9 | C27 | C19 | H25 | 120.2° | 120.1° |
| C9 | C27 | C19 | C18 | 59.9° | 60.0° |
| C27 | C9 | H9 | H10 | 119.9° | 120.0° |
| C27 | C9 | C10 | H11 | 179.3° | 180.0° |
| C9 | C27 | C11 | H12 | 179.7° | 180.0° |
| C9 | C27 | C11 | H13 | 60.5° | 60.0° |
| C9 | C27 | C19 | H18 | 180.0° | 180.0° |
| C9 | C27 | C19 | H19 | 60.1° | 60.0° |
| C11 | C27 | C19 | H25 | 120.4° | 120.0° |
| C11 | C27 | C19 | C18 | 59.4° | 60.0° |
| C11 | C27 | C9 | H9 | 60.1° | 60.0° |
| C11 | C27 | C9 | H10 | 180.0° | 180.0° |
| C27 | C11 | H12 | H13 | 119.8° | 120.1° |
| C27 | C11 | C12 | H14 | 179.9° | 180.0° |
| C11 | C27 | C19 | H18 | 60.6° | 60.0° |
| C11 | C27 | C19 | H19 | 179.5° | 180.0° |
| C8 | C18 | C1 | C19 | 120.3° | 120.0° |
| C8 | C18 | C1 | N17 | 122.4° | 120.0° |
| C8 | C18 | C19 | C27 | 60.2° | 60.0° |
| C8 | C18 | C19 | N17 | 119.7° | 120.0° |
| C8 | C18 | N17 | C15 | 70.1° | 60.0° |
| C8 | C18 | C1 | H1 | 60.9° | 60.0° |
| C8 | C18 | C1 | H2 | 179.0° | 180.0° |
| C18 | C8 | H7 | H8 | 120.0° | 120.0° |
| C18 | C8 | C10 | H11 | 179.2° | 180.0° |
| C8 | C18 | C19 | H18 | 179.8° | 180.0° |
| C8 | C18 | C19 | H19 | 59.9° | 60.0° |
| C8 | C18 | N17 | H26 | 109.9° | 120.0° |
| C1 | C18 | C19 | C27 | 60.2° | 60.0° |
| C1 | C18 | C19 | N17 | 119.9° | 120.0° |
| C1 | C18 | N17 | C15 | 51.9° | 180.0° |
| C18 | C1 | H1 | H2 | 120.1° | 120.0° |
| C1 | C18 | C8 | H7 | 179.8° | 180.0° |
| C1 | C18 | C8 | H8 | 59.8° | 60.0° |
| C18 | C1 | C12 | H14 | 179.4° | 180.0° |
| C1 | C18 | C19 | H18 | 59.8° | 60.0° |
| C1 | C18 | C19 | H19 | 179.7° | 180.0° |
| C1 | C18 | N17 | H26 | 128.1° | 0.0° |
| C27 | C19 | C18 | H18 | 120.0° | 120.0° |
| C27 | C19 | C18 | H19 | 120.0° | 120.0° |
| C27 | C19 | C18 | N17 | 179.8° | 180.0° |
| C19 | C27 | C9 | H9 | 179.6° | 180.0° |
| C19 | C27 | C9 | H10 | 60.4° | 60.0° |
| C19 | C27 | C11 | H12 | 60.1° | 60.0° |
| C19 | C27 | C11 | H13 | 180.0° | 180.0° |
| C27 | C19 | H18 | H19 | 119.9° | 120.0° |
| O16 | C15 | N17 | C18 | 1.2° | 3.7° |
| O16 | C15 | N17 | C14 | 179.6° | 179.9° |
| O16 | C15 | C14 | N13 | 41.2° | 7.5° |
| O16 | C15 | C14 | C21 | 76.3° | 112.5° |
| O16 | C15 | C14 | H17 | 163.8° | 127.5° |
| O16 | C15 | N17 | H26 | 178.8° | 176.3° |
| C19 | C18 | N17 | C15 | 170.7° | 60.0° |
| C19 | C18 | C1 | H1 | 178.9° | 180.0° |
| C19 | C18 | C1 | H2 | 58.8° | 60.0° |
| C19 | C18 | C8 | H7 | 60.3° | 60.0° |
| C19 | C18 | C8 | H8 | 179.7° | 180.0° |
| C18 | C19 | H18 | H19 | 119.9° | 120.0° |
| C18 | C19 | C27 | H25 | 179.8° | 180.0° |
| C19 | C18 | N17 | H26 | 9.3° | 120.0° |
| C18 | N17 | C15 | H26 | 180.0° | 180.0° |
| C18 | N17 | C15 | C14 | 178.4° | 176.2° |
| N17 | C18 | C1 | H1 | 61.5° | 60.0° |
| N17 | C18 | C1 | H2 | 58.6° | 60.0° |
| N17 | C18 | C8 | H7 | 57.1° | 60.0° |
| N17 | C18 | C8 | H8 | 62.9° | 60.0° |
| N17 | C18 | C19 | H18 | 60.1° | 60.0° |
| N17 | C18 | C19 | H19 | 59.8° | 60.0° |
| N17 | C15 | C14 | N13 | 139.2° | 172.6° |
| N17 | C15 | C14 | C21 | 103.3° | 67.3° |
| N17 | C15 | C14 | H17 | 16.6° | 52.7° |
| C15 | C14 | N13 | C21 | 119.3° | 120.1° |
| C15 | C14 | N13 | H17 | 121.9° | 119.9° |
| C15 | C14 | N13 | S1 | 85.6° | 145.9° |
| C15 | C14 | C21 | H17 | 120.0° | 120.0° |
| C15 | C14 | C21 | C22 | 57.9° | 67.1° |
| C15 | C14 | C21 | H20 | 178.4° | 172.9° |
| C15 | C14 | C21 | H21 | 62.6° | 52.9° |
| C14 | C15 | N17 | H26 | 1.6° | 3.8° |
| C15 | C14 | N13 | H35 | 35.6° | 34.0° |
| O12 | S1 | N13 | C14 | 71.5° | 179.4° |
| O12 | S1 | N13 | O1 | 119.7° | 132.9° |
| O12 | S1 | N13 | N10 | 119.4° | 113.6° |
| O12 | S1 | O1 | N10 | 122.9° | 122.9° |
| O12 | S1 | N10 | C6 | 54.9° | 48.5° |
| O12 | S1 | N13 | H35 | 49.6° | 0.5° |
| O12 | S1 | N10 | H36 | 175.5° | 131.4° |
| O8 | C7 | O9 | C6 | 179.2° | 180.0° |
| O8 | C7 | C6 | N10 | 132.8° | 0.0° |
| O8 | C7 | C6 | C5 | 105.8° | 120.0° |
| O8 | C7 | C6 | H37 | 12.5° | 120.0° |
| O8 | C7 | O9 | H38 | 0.0° | 0.1° |
| C14 | N13 | S1 | H35 | 121.2° | 179.9° |
| N13 | C14 | C21 | H17 | 119.6° | 120.0° |
| C14 | N13 | S1 | O1 | 168.8° | 47.7° |
| C14 | N13 | S1 | N10 | 47.9° | 65.8° |
| N13 | C14 | C21 | C22 | 178.3° | 172.9° |
| N13 | C14 | C21 | H20 | 61.1° | 52.9° |
| N13 | C14 | C21 | H21 | 57.8° | 67.1° |
| S1 | N13 | C14 | C21 | 155.1° | 94.0° |
| N13 | S1 | O1 | N10 | 119.3° | 114.1° |
| N13 | S1 | N10 | C6 | 174.4° | 65.0° |
| S1 | N13 | C14 | H17 | 36.3° | 25.9° |
| N13 | S1 | N10 | H36 | 65.0° | 115.0° |
| C14 | C21 | C22 | H20 | 120.5° | 120.0° |
| C14 | C21 | C22 | H21 | 120.5° | 120.0° |
| C14 | C21 | C22 | C29 | 162.8° | 173.3° |
| C14 | C21 | C22 | C23 | 76.2° | 66.7° |
| C14 | C21 | H20 | H21 | 118.4° | 120.0° |
| C14 | C21 | C22 | H22 | 43.5° | 53.3° |
| C21 | C14 | N13 | H35 | 83.7° | 86.0° |
| O1 | S1 | N10 | C6 | 69.7° | 178.6° |
| O1 | S1 | N13 | H35 | 70.0° | 132.4° |
| O1 | S1 | N10 | H36 | 50.9° | 1.5° |
| S1 | N10 | C6 | C7 | 73.7° | 95.0° |
| S1 | N10 | C6 | H36 | 120.6° | 180.0° |
| S1 | N10 | C6 | C5 | 163.9° | 145.0° |
| N10 | S1 | N13 | H35 | 169.1° | 114.1° |
| S1 | N10 | C6 | H37 | 46.2° | 24.9° |
| O9 | C7 | C6 | N10 | 46.5° | 180.0° |
| O9 | C7 | C6 | C5 | 75.0° | 60.0° |
| O9 | C7 | C6 | H37 | 166.8° | 60.0° |
| C7 | C6 | N10 | C5 | 122.5° | 120.0° |
| C7 | C6 | N10 | H37 | 119.8° | 119.9° |
| C7 | C6 | C5 | H37 | 118.0° | 119.9° |
| C7 | C6 | C5 | C4 | 53.1° | 175.0° |
| C7 | C6 | N10 | H36 | 165.8° | 85.0° |
| C6 | C7 | O9 | H38 | 179.2° | 180.0° |
| C7 | C6 | C5 | H39 | 173.4° | 65.0° |
| C7 | C6 | C5 | H40 | 67.1° | 55.0° |
| C21 | C22 | C29 | C23 | 119.8° | 120.0° |
| C21 | C22 | C29 | H22 | 119.2° | 120.0° |
| C21 | C22 | C23 | H22 | 119.7° | 120.0° |
| C21 | C22 | C29 | C28 | 173.9° | 180.0° |
| C21 | C22 | C23 | C24 | 174.1° | 180.0° |
| C22 | C21 | C14 | H17 | 62.1° | 52.9° |
| C22 | C21 | H20 | H21 | 118.4° | 120.0° |
| C21 | C22 | C23 | H27 | 65.6° | 60.0° |
| C21 | C22 | C23 | H28 | 53.7° | 60.0° |
| C21 | C22 | C29 | H33 | 53.5° | 60.0° |
| C21 | C22 | C29 | H34 | 65.7° | 60.0° |
| C29 | C22 | C23 | H22 | 121.0° | 120.0° |
| C22 | C29 | C28 | H33 | 120.5° | 120.0° |
| C22 | C29 | C28 | H34 | 120.5° | 120.0° |
| C22 | C29 | C28 | C25 | 53.8° | 60.0° |
| C29 | C22 | C23 | C24 | 54.7° | 60.0° |
| C29 | C22 | C21 | H20 | 76.7° | 66.7° |
| C29 | C22 | C21 | H21 | 42.3° | 53.3° |
| C29 | C22 | C23 | H27 | 175.1° | 180.0° |
| C29 | C22 | C23 | H28 | 65.6° | 60.0° |
| C22 | C29 | C28 | H31 | 174.0° | 60.0° |
| C22 | C29 | C28 | H32 | 66.5° | 180.0° |
| C22 | C29 | H33 | H34 | 118.7° | 120.0° |
| C23 | C22 | C29 | C28 | 54.1° | 60.0° |
| C22 | C23 | C24 | H27 | 120.3° | 120.0° |
| C22 | C23 | C24 | H28 | 120.4° | 120.0° |
| C22 | C23 | C24 | C25 | 55.4° | 60.0° |
| C23 | C22 | C21 | H20 | 44.3° | 53.3° |
| C23 | C22 | C21 | H21 | 163.3° | 173.3° |
| C22 | C23 | C24 | H23 | 64.9° | 60.0° |
| C22 | C23 | C24 | H24 | 175.6° | 180.0° |
| C22 | C23 | H27 | H28 | 119.0° | 120.0° |
| C23 | C22 | C29 | H33 | 66.3° | 60.0° |
| C23 | C22 | C29 | H34 | 174.5° | 180.0° |
| C29 | C28 | C25 | H31 | 120.2° | 120.0° |
| C29 | C28 | C25 | H32 | 120.2° | 120.0° |
| C29 | C28 | C25 | C24 | 54.0° | 60.0° |
| C28 | C29 | C22 | H22 | 66.9° | 60.0° |
| C29 | C28 | C25 | H29 | 66.4° | 180.0° |
| C29 | C28 | C25 | H30 | 174.4° | 60.0° |
| C29 | C28 | H31 | H32 | 119.3° | 120.0° |
| C28 | C29 | H33 | H34 | 118.6° | 120.0° |
| C28 | C25 | C24 | C23 | 55.1° | 60.0° |
| C28 | C25 | C24 | H29 | 120.4° | 120.0° |
| C28 | C25 | C24 | H30 | 120.4° | 120.0° |
| C28 | C25 | C24 | H23 | 65.1° | 60.0° |
| C28 | C25 | C24 | H24 | 175.4° | 180.0° |
| C28 | C25 | H29 | H30 | 118.9° | 120.0° |
| C25 | C28 | H31 | H32 | 119.3° | 120.0° |
| C25 | C28 | C29 | H33 | 66.7° | 60.0° |
| C25 | C28 | C29 | H34 | 174.2° | 180.0° |
| N10 | C6 | C5 | H37 | 118.0° | 120.1° |
| N10 | C6 | C5 | C4 | 177.2° | 65.1° |
| N10 | C6 | C5 | H39 | 62.6° | 55.0° |
| N10 | C6 | C5 | H40 | 56.9° | 175.0° |
| C6 | C5 | C4 | H39 | 120.3° | 120.1° |
| C6 | C5 | C4 | H40 | 120.3° | 120.0° |
| C6 | C5 | C4 | C3 | 175.6° | 180.0° |
| C5 | C6 | N10 | H36 | 43.3° | 34.9° |
| C6 | C5 | H39 | H40 | 119.2° | 120.1° |
| C6 | C5 | C4 | H41 | 64.3° | 60.0° |
| C6 | C5 | C4 | H42 | 55.5° | 59.9° |
| C23 | C24 | C25 | H23 | 120.3° | 120.0° |
| C23 | C24 | C25 | H24 | 120.2° | 120.0° |
| C24 | C23 | C22 | H22 | 66.2° | 60.0° |
| C23 | C24 | H23 | H24 | 119.2° | 120.0° |
| C24 | C23 | H27 | H28 | 119.0° | 120.0° |
| C23 | C24 | C25 | H29 | 65.3° | 180.0° |
| C23 | C24 | C25 | H30 | 175.5° | 60.0° |
| C25 | C24 | H23 | H24 | 119.2° | 120.0° |
| C25 | C24 | C23 | H27 | 175.7° | 179.9° |
| C25 | C24 | C23 | H28 | 65.0° | 60.0° |
| C24 | C25 | H29 | H30 | 118.8° | 120.0° |
| C24 | C25 | C28 | H31 | 174.2° | 60.0° |
| C24 | C25 | C28 | H32 | 66.2° | 180.0° |
| C5 | C4 | C3 | H41 | 120.1° | 120.0° |
| C5 | C4 | C3 | H42 | 120.1° | 120.1° |
| C5 | C4 | C3 | C2 | 177.4° | 180.0° |
| C5 | C4 | C3 | H5 | 62.2° | 60.0° |
| C5 | C4 | C3 | H6 | 56.9° | 59.9° |
| C4 | C5 | C6 | H37 | 64.8° | 55.0° |
| C4 | C5 | H39 | H40 | 119.2° | 119.9° |
| C5 | C4 | H41 | H42 | 119.6° | 120.0° |
| C4 | C3 | C2 | N1 | 36.4° | 180.0° |
| C4 | C3 | C2 | H5 | 120.4° | 119.9° |
| C4 | C3 | C2 | H6 | 120.4° | 120.0° |
| C4 | C3 | C2 | H3 | 84.0° | 60.0° |
| C4 | C3 | C2 | H4 | 156.8° | 60.0° |
| C4 | C3 | H5 | H6 | 118.7° | 120.0° |
| C3 | C4 | C5 | H39 | 55.4° | 59.9° |
| C3 | C4 | C5 | H40 | 64.1° | 60.0° |
| C3 | C4 | H41 | H42 | 119.6° | 120.0° |
| N1 | C2 | C3 | H3 | 120.4° | 120.0° |
| N1 | C2 | C3 | H4 | 120.4° | 120.0° |
| N1 | C2 | H3 | H4 | 118.6° | 120.1° |
| N1 | C2 | C3 | H5 | 84.0° | 60.0° |
| N1 | C2 | C3 | H6 | 156.8° | 60.0° |
| C2 | N1 | H43 | H44 | 120.0° | 123.9° |
| C3 | C2 | H3 | H4 | 118.7° | 120.0° |
| C2 | C3 | H5 | H6 | 118.7° | 120.1° |
| C2 | C3 | C4 | H41 | 57.3° | 60.0° |
| C2 | C3 | C4 | H42 | 62.5° | 59.9° |
| C3 | C2 | N1 | H43 | 180.0° | 56.1° |
| C3 | C2 | N1 | H44 | 60.0° | 180.0° |
| H1 | C1 | C12 | H14 | 59.4° | 60.0° |
| H2 | C1 | C12 | H14 | 60.7° | 60.0° |
| H3 | C2 | C3 | H5 | 155.6° | 60.0° |
| H3 | C2 | C3 | H6 | 36.4° | 180.0° |
| H3 | C2 | N1 | H43 | 59.6° | 63.8° |
| H3 | C2 | N1 | H44 | 60.5° | 60.0° |
| H4 | C2 | C3 | H5 | 36.4° | 180.0° |
| H4 | C2 | C3 | H6 | 82.7° | 60.0° |
| H4 | C2 | N1 | H43 | 59.5° | 176.1° |
| H4 | C2 | N1 | H44 | 179.6° | 60.1° |
| H5 | C3 | C4 | H41 | 177.7° | 180.0° |
| H5 | C3 | C4 | H42 | 57.9° | 60.0° |
| H6 | C3 | C4 | H41 | 63.2° | 60.1° |
| H6 | C3 | C4 | H42 | 177.1° | 180.0° |
| H7 | C8 | C10 | H11 | 59.2° | 60.0° |
| H8 | C8 | C10 | H11 | 60.8° | 60.1° |
| H9 | C9 | C10 | H11 | 60.6° | 60.0° |
| H9 | C9 | C27 | H25 | 60.1° | 59.9° |
| H10 | C9 | C10 | H11 | 59.3° | 60.0° |
| H10 | C9 | C27 | H25 | 59.8° | 60.1° |
| H11 | C10 | C13 | H15 | 60.9° | 60.0° |
| H11 | C10 | C13 | H16 | 59.2° | 60.0° |
| H12 | C11 | C12 | H14 | 60.1° | 60.1° |
| H12 | C11 | C27 | H25 | 60.2° | 60.0° |
| H13 | C11 | C12 | H14 | 59.8° | 59.9° |
| H13 | C11 | C27 | H25 | 59.7° | 60.0° |
| H14 | C12 | C13 | H15 | 61.0° | 60.1° |
| H14 | C12 | C13 | H16 | 59.1° | 60.0° |
| H17 | C14 | C21 | H20 | 58.5° | 67.1° |
| H17 | C14 | C21 | H21 | 177.4° | 172.9° |
| H17 | C14 | N13 | H35 | 157.5° | 154.0° |
| H18 | C19 | C27 | H25 | 59.8° | 60.0° |
| H19 | C19 | C27 | H25 | 60.1° | 60.0° |
| H20 | C21 | C22 | H22 | 164.1° | 173.3° |
| H21 | C21 | C22 | H22 | 77.0° | 66.7° |
| H22 | C22 | C23 | H27 | 54.1° | 60.0° |
| H22 | C22 | C23 | H28 | 173.4° | NaN° |
| H22 | C22 | C29 | H33 | 172.7° | 180.0° |
| H22 | C22 | C29 | H34 | 53.5° | 60.0° |
| H23 | C24 | C23 | H27 | 55.4° | 60.0° |
| H23 | C24 | C23 | H28 | 174.7° | 180.0° |
| H23 | C24 | C25 | H29 | 174.5° | 60.0° |
| H23 | C24 | C25 | H30 | 55.3° | 180.0° |
| H24 | C24 | C23 | H27 | 64.1° | 60.0° |
| H24 | C24 | C23 | H28 | 55.2° | 60.0° |
| H24 | C24 | C25 | H29 | 55.0° | 60.0° |
| H24 | C24 | C25 | H30 | 64.3° | 60.0° |
| H29 | C25 | C28 | H31 | 53.8° | 60.0° |
| H29 | C25 | C28 | H32 | 173.4° | 60.0° |
| H30 | C25 | C28 | H31 | 65.4° | 180.0° |
| H30 | C25 | C28 | H32 | 54.1° | 60.0° |
| H31 | C28 | C29 | H33 | 53.5° | 180.0° |
| H31 | C28 | C29 | H34 | 65.6° | 60.0° |
| H32 | C28 | C29 | H33 | 173.1° | 60.0° |
| H32 | C28 | C29 | H34 | 54.0° | 60.0° |
| H36 | N10 | C6 | H37 | 74.4° | 155.0° |
| H37 | C6 | C5 | H39 | 55.4° | 175.0° |
| H37 | C6 | C5 | H40 | 174.9° | 64.9° |
| H39 | C5 | C4 | H41 | 175.5° | 60.1° |
| H39 | C5 | C4 | H42 | 64.8° | 180.0° |
| H40 | C5 | C4 | H41 | 56.0° | 180.0° |
| H40 | C5 | C4 | H42 | 175.8° | 60.0° |
