A1A1L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| C31 | C29 | sing | 1.53Å | 1.56Å | |
| C29 | C28 | sing | 1.53Å | 1.58Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| F13 | C12 | sing | 1.40Å | 1.38Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C32 | sing | 1.48Å | 1.52Å | |
| C26 | C25 | sing | 1.50Å | 1.55Å | |
| C14 | C12 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.58Å | |
| C15 | C16 | doub | 1.31Å | 1.37Å | |
| C25 | O24 | sing | 1.46Å | 1.41Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C32 | C33 | sing | 1.54Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.50Å | |
| C11 | S10 | sing | 1.81Å | 1.85Å | |
| O24 | C23 | sing | 1.42Å | 1.52Å | |
| C33 | C23 | sing | 1.50Å | 1.54Å | |
| C33 | C34 | sing | 1.55Å | 1.57Å | |
| C23 | C22 | sing | 1.54Å | 1.36Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| C19 | C07 | sing | 1.53Å | 1.56Å | |
| S10 | C09 | sing | 1.81Å | 1.79Å | |
| O08 | C07 | sing | 1.43Å | 1.47Å | |
| O08 | C09 | sing | 1.43Å | 1.46Å | |
| N20 | C21 | sing | 1.35Å | 1.53Å | |
| C21 | O36 | doub | 1.21Å | 1.18Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C34 | N35 | sing | 1.49Å | 1.31Å | |
| C07 | C05 | sing | 1.53Å | 1.55Å | |
| C09 | C02 | sing | 1.53Å | 1.55Å | |
| C22 | N35 | sing | 1.48Å | 1.62Å | |
| C05 | O06 | sing | 1.43Å | 1.42Å | |
| C05 | C03 | sing | 1.53Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | O01 | sing | 1.43Å | 1.43Å | |
| C03 | O04 | sing | 1.43Å | 1.47Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | 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 | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| N20 | H39 | sing | 0.97Å | 1.00Å | |
| N35 | H40 | sing | 1.01Å | 1.00Å | |
| O01 | H42 | sing | 0.97Å | 0.95Å | |
| O04 | H43 | sing | 0.97Å | 0.95Å | |
| O06 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C31 | 110.3° | 109.4° |
| C30 | C29 | C28 | 112.2° | 109.5° |
| C30 | C29 | H27 | 107.9° | 109.5° |
| C29 | C30 | H28 | 109.5° | 109.5° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.4° | 109.5° |
| C31 | C29 | C28 | 110.7° | 109.5° |
| C31 | C29 | H27 | 107.8° | 109.5° |
| C29 | C31 | H31 | 109.5° | 109.4° |
| C29 | C31 | H32 | 109.5° | 109.5° |
| C29 | C31 | H33 | 109.5° | 109.5° |
| C29 | C28 | C27 | 114.3° | 109.5° |
| C29 | C28 | H13 | 108.3° | 109.5° |
| C29 | C28 | H14 | 108.3° | 109.5° |
| C28 | C29 | H27 | 107.7° | 109.5° |
| C28 | C27 | C26 | 110.1° | 108.7° |
| C28 | C27 | C32 | 109.8° | 108.7° |
| C27 | C28 | H13 | 108.2° | 109.5° |
| C27 | C28 | H14 | 108.2° | 109.5° |
| C28 | C27 | H26 | 108.5° | 108.7° |
| F13 | C12 | C14 | 111.8° | 109.5° |
| F13 | C12 | C11 | 103.3° | 109.5° |
| F13 | C12 | H4 | 109.9° | 109.4° |
| C26 | C27 | C32 | 110.6° | 113.5° |
| C27 | C26 | C25 | 111.4° | 109.3° |
| C27 | C26 | H11 | 109.0° | 109.4° |
| C27 | C26 | H12 | 109.0° | 109.8° |
| C26 | C27 | H26 | 108.8° | 108.7° |
| C27 | C32 | C33 | 114.1° | 108.4° |
| C32 | C27 | H26 | 109.0° | 108.5° |
| C27 | C32 | H34 | 108.3° | 109.7° |
| C27 | C32 | H35 | 108.3° | 109.7° |
| C26 | C25 | O24 | 117.3° | 110.5° |
| C25 | C26 | H11 | 109.0° | 109.4° |
| C25 | C26 | H12 | 109.0° | 109.5° |
| C26 | C25 | H24 | 107.5° | 109.2° |
| C26 | C25 | H25 | 107.5° | 109.4° |
| C12 | C14 | C15 | 107.3° | 109.4° |
| C14 | C12 | C11 | 116.7° | 109.5° |
| C14 | C12 | H4 | 107.6° | 109.5° |
| C12 | C14 | H5 | 110.0° | 109.4° |
| C12 | C14 | H6 | 110.0° | 109.5° |
| C14 | C15 | C16 | 119.6° | 120.1° |
| C15 | C14 | H5 | 110.0° | 109.5° |
| C15 | C14 | H6 | 110.0° | 109.5° |
| C14 | C15 | H7 | 120.2° | 119.9° |
| C12 | C11 | S10 | 113.8° | 109.5° |
| C11 | C12 | H4 | 107.3° | 109.5° |
| C12 | C11 | H17 | 108.4° | 109.5° |
| C12 | C11 | H18 | 108.4° | 109.5° |
| C15 | C16 | C17 | 119.7° | 120.0° |
| C16 | C15 | H7 | 120.2° | 120.1° |
| C15 | C16 | H19 | 120.1° | 120.0° |
| C25 | O24 | C23 | 117.0° | 113.8° |
| O24 | C25 | H24 | 107.5° | 109.3° |
| O24 | C25 | H25 | 107.5° | 109.3° |
| C18 | C17 | C16 | 108.5° | 109.4° |
| C18 | C17 | C19 | 107.6° | 109.4° |
| C18 | C17 | H20 | 109.7° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C17 | C18 | H23 | 109.5° | 109.4° |
| C16 | C17 | C19 | 110.6° | 109.5° |
| C17 | C16 | H19 | 120.2° | 120.0° |
| C16 | C17 | H20 | 110.0° | 109.5° |
| C32 | C33 | C23 | 116.2° | 111.0° |
| C32 | C33 | C34 | 109.7° | 109.5° |
| C33 | C32 | H34 | 108.3° | 109.8° |
| C33 | C32 | H35 | 108.3° | 109.5° |
| C32 | C33 | H36 | 110.3° | 110.5° |
| C17 | C19 | N20 | 108.4° | 109.5° |
| C17 | C19 | C07 | 107.2° | 109.4° |
| C17 | C19 | H8 | 110.8° | 109.5° |
| C19 | C17 | H20 | 110.5° | 109.5° |
| C11 | S10 | C09 | 105.1° | 103.0° |
| S10 | C11 | H17 | 108.4° | 109.5° |
| S10 | C11 | H18 | 108.4° | 109.4° |
| O24 | C23 | C33 | 114.8° | 118.4° |
| O24 | C23 | C22 | 110.6° | 111.5° |
| O24 | C23 | H10 | 108.8° | 106.9° |
| C23 | C33 | C34 | 100.2° | 103.8° |
| C33 | C23 | C22 | 102.8° | 106.2° |
| C33 | C23 | H10 | 108.6° | 106.7° |
| C23 | C33 | H36 | 110.2° | 110.5° |
| C33 | C34 | N35 | 100.8° | 102.7° |
| C34 | C33 | H36 | 109.7° | 111.4° |
| C33 | C34 | H37 | 111.6° | 110.8° |
| C33 | C34 | H38 | 111.6° | 110.8° |
| C23 | C22 | C21 | 111.3° | 110.1° |
| C23 | C22 | N35 | 107.8° | 106.2° |
| C23 | C22 | H9 | 111.1° | 110.2° |
| C22 | C23 | H10 | 111.2° | 106.4° |
| N20 | C19 | C07 | 109.0° | 109.5° |
| C19 | N20 | C21 | 122.7° | 120.0° |
| N20 | C19 | H8 | 111.4° | 109.5° |
| C19 | N20 | H39 | 118.7° | 120.0° |
| C19 | C07 | O08 | 108.0° | 109.5° |
| C19 | C07 | C05 | 112.6° | 109.6° |
| C19 | C07 | H2 | 107.5° | 109.4° |
| C07 | C19 | H8 | 110.0° | 109.5° |
| S10 | C09 | O08 | 105.8° | 109.5° |
| S10 | C09 | C02 | 113.3° | 109.6° |
| S10 | C09 | H3 | 106.9° | 109.5° |
| C07 | O08 | C09 | 109.3° | 114.0° |
| O08 | C07 | C05 | 112.4° | 109.5° |
| O08 | C07 | H2 | 108.6° | 109.4° |
| O08 | C09 | C02 | 110.3° | 109.5° |
| O08 | C09 | H3 | 110.8° | 109.4° |
| N20 | C21 | O36 | 121.2° | 120.0° |
| N20 | C21 | C22 | 116.6° | 120.0° |
| C21 | N20 | H39 | 118.7° | 120.0° |
| O36 | C21 | C22 | 122.2° | 120.0° |
| C21 | C22 | N35 | 110.6° | 110.1° |
| C21 | C22 | H9 | 108.5° | 110.1° |
| C34 | N35 | C22 | 103.8° | 105.9° |
| N35 | C34 | H37 | 111.6° | 110.7° |
| N35 | C34 | H38 | 111.6° | 110.7° |
| C34 | N35 | H40 | 110.9° | 111.0° |
| C07 | C05 | O06 | 111.0° | 109.5° |
| C07 | C05 | C03 | 109.1° | 109.3° |
| C05 | C07 | H2 | 107.6° | 109.4° |
| C07 | C05 | H16 | 107.5° | 109.5° |
| C09 | C02 | C03 | 108.6° | 109.6° |
| C09 | C02 | O01 | 107.5° | 109.4° |
| C09 | C02 | H1 | 108.7° | 109.4° |
| C02 | C09 | H3 | 109.6° | 109.4° |
| N35 | C22 | H9 | 107.5° | 110.1° |
| C22 | N35 | H40 | 110.9° | 111.0° |
| O06 | C05 | C03 | 111.3° | 109.5° |
| O06 | C05 | H16 | 109.3° | 109.5° |
| C05 | O06 | H44 | 109.5° | 114.0° |
| C05 | C03 | C02 | 111.7° | 109.5° |
| C05 | C03 | O04 | 109.9° | 109.4° |
| C05 | C03 | H15 | 107.5° | 109.5° |
| C03 | C05 | H16 | 108.6° | 109.5° |
| C03 | C02 | O01 | 112.1° | 109.4° |
| C02 | C03 | O04 | 112.7° | 109.4° |
| C03 | C02 | H1 | 109.4° | 109.5° |
| C02 | C03 | H15 | 107.2° | 109.5° |
| O01 | C02 | H1 | 110.4° | 109.5° |
| C02 | O01 | H42 | 109.5° | 114.0° |
| O04 | C03 | H15 | 107.6° | 109.5° |
| C03 | O04 | H43 | 109.5° | 114.0° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.1° |
| H28 | C30 | H29 | 109.4° | 109.4° |
| H28 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.4° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H33 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.4° | 109.5° |
| H34 | C32 | H35 | 109.4° | 109.8° |
| H37 | C34 | H38 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C31 | C28 | 124.9° | 120.0° |
| C30 | C29 | C31 | H27 | 117.6° | 120.0° |
| C30 | C29 | C28 | H27 | 118.6° | 120.0° |
| C30 | C29 | C28 | C27 | 165.4° | 65.4° |
| C30 | C29 | C28 | H13 | 44.7° | 54.6° |
| C30 | C29 | C28 | H14 | 73.8° | 174.6° |
| C29 | C30 | H28 | H29 | 120.0° | 120.0° |
| C29 | C30 | H28 | H30 | 120.0° | 120.1° |
| C29 | C30 | H29 | H30 | 120.0° | 120.0° |
| C30 | C29 | C31 | H31 | 180.0° | 180.0° |
| C30 | C29 | C31 | H32 | 60.0° | 60.0° |
| C30 | C29 | C31 | H33 | 60.0° | 60.0° |
| C31 | C29 | C28 | H27 | 117.6° | 120.1° |
| C31 | C29 | C28 | C27 | 41.6° | 174.7° |
| C31 | C29 | C28 | H13 | 79.1° | 65.3° |
| C31 | C29 | C28 | H14 | 162.4° | 54.7° |
| C31 | C29 | C30 | H28 | 180.0° | 54.6° |
| C31 | C29 | C30 | H29 | 60.0° | 174.6° |
| C31 | C29 | C30 | H30 | 60.0° | 65.5° |
| C29 | C31 | H31 | H32 | 120.0° | 119.9° |
| C29 | C31 | H31 | H33 | 120.0° | 120.0° |
| C29 | C31 | H32 | H33 | 120.0° | 120.0° |
| C29 | C28 | C27 | H13 | 120.7° | 120.0° |
| C29 | C28 | C27 | H14 | 120.7° | 120.0° |
| C29 | C28 | C27 | C26 | 82.5° | 174.0° |
| C29 | C28 | C27 | C32 | 155.5° | 62.0° |
| C29 | C28 | H13 | H14 | 117.8° | 120.0° |
| C29 | C28 | C27 | H26 | 36.4° | 55.9° |
| C28 | C29 | C30 | H28 | 56.0° | 174.6° |
| C28 | C29 | C30 | H29 | 64.0° | 65.5° |
| C28 | C29 | C30 | H30 | 176.0° | 54.5° |
| C28 | C29 | C31 | H31 | 55.1° | 60.1° |
| C28 | C29 | C31 | H32 | 175.1° | 180.0° |
| C28 | C29 | C31 | H33 | 64.9° | 60.0° |
| C28 | C27 | C26 | C32 | 121.5° | 121.1° |
| C28 | C27 | C26 | H26 | 118.8° | 118.1° |
| C28 | C27 | C32 | H26 | 118.8° | 118.0° |
| C28 | C27 | C26 | C25 | 153.6° | 155.2° |
| C28 | C27 | C32 | C33 | 179.5° | 179.2° |
| C28 | C27 | C26 | H11 | 86.1° | 35.4° |
| C28 | C27 | C26 | H12 | 33.4° | 84.8° |
| C27 | C28 | H13 | H14 | 117.8° | 120.0° |
| C27 | C28 | C29 | H27 | 76.0° | 54.6° |
| C28 | C27 | C32 | H34 | 58.8° | 59.3° |
| C28 | C27 | C32 | H35 | 59.8° | 61.3° |
| F13 | C12 | C14 | C11 | 118.6° | 120.0° |
| F13 | C12 | C14 | H4 | 120.8° | 119.9° |
| F13 | C12 | C14 | C15 | 130.8° | 107.6° |
| F13 | C12 | C11 | H4 | 116.1° | 120.0° |
| F13 | C12 | C11 | S10 | 174.1° | 141.8° |
| F13 | C12 | C14 | H5 | 109.5° | 132.5° |
| F13 | C12 | C14 | H6 | 11.2° | 12.5° |
| F13 | C12 | C11 | H17 | 65.2° | 21.8° |
| F13 | C12 | C11 | H18 | 53.5° | 98.2° |
| C26 | C27 | C32 | H26 | 119.5° | 120.9° |
| C27 | C26 | C25 | H11 | 120.3° | 119.8° |
| C27 | C26 | C25 | H12 | 120.3° | 120.3° |
| C27 | C26 | C25 | O24 | 84.9° | 94.5° |
| C26 | C27 | C32 | C33 | 58.8° | 59.8° |
| C27 | C26 | H11 | H12 | 119.1° | 120.3° |
| C26 | C27 | C28 | H13 | 156.7° | 54.0° |
| C26 | C27 | C28 | H14 | 38.2° | 66.0° |
| C27 | C26 | C25 | H24 | 154.0° | 145.2° |
| C27 | C26 | C25 | H25 | 36.2° | 25.8° |
| C26 | C27 | C32 | H34 | 179.5° | 179.7° |
| C26 | C27 | C32 | H35 | 61.9° | 59.7° |
| C32 | C27 | C26 | C25 | 84.8° | 83.8° |
| C27 | C32 | C33 | H34 | 120.7° | 119.8° |
| C27 | C32 | C33 | H35 | 120.7° | 119.6° |
| C27 | C32 | C33 | C23 | 63.9° | 71.3° |
| C27 | C32 | C33 | C34 | 176.7° | 174.7° |
| C32 | C27 | C26 | H11 | 35.4° | 156.4° |
| C32 | C27 | C26 | H12 | 154.9° | 36.3° |
| C32 | C27 | C28 | H13 | 34.8° | 178.0° |
| C32 | C27 | C28 | H14 | 83.8° | 58.0° |
| C27 | C32 | H34 | H35 | 117.9° | 120.5° |
| C27 | C32 | C33 | H36 | 62.3° | 51.7° |
| C26 | C25 | O24 | H24 | 121.1° | 120.2° |
| C26 | C25 | O24 | H25 | 121.1° | 120.4° |
| C26 | C25 | O24 | C23 | 18.8° | 39.4° |
| C25 | C26 | H11 | H12 | 119.1° | 119.9° |
| C26 | C25 | H24 | H25 | 116.4° | 119.5° |
| C25 | C26 | C27 | H26 | 34.8° | 37.1° |
| C12 | C14 | C15 | H5 | 119.7° | 119.9° |
| C12 | C14 | C15 | H6 | 119.7° | 120.0° |
| C14 | C12 | C11 | H4 | 120.8° | 120.0° |
| C12 | C14 | C15 | C16 | 147.4° | 130.6° |
| C14 | C12 | C11 | S10 | 51.0° | 98.2° |
| C12 | C14 | H5 | H6 | 121.0° | 120.0° |
| C12 | C14 | C15 | H7 | 32.6° | 49.5° |
| C14 | C12 | C11 | H17 | 171.6° | 141.8° |
| C14 | C12 | C11 | H18 | 69.7° | 21.8° |
| C15 | C14 | C12 | C11 | 110.6° | 132.4° |
| C14 | C15 | C16 | H7 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.6° | 0.1° |
| C15 | C14 | C12 | H4 | 10.0° | 12.4° |
| C15 | C14 | H5 | H6 | 121.0° | 120.1° |
| C14 | C15 | C16 | H19 | 179.4° | 179.8° |
| C12 | C11 | S10 | H17 | 120.6° | 120.0° |
| C12 | C11 | S10 | H18 | 120.6° | 120.0° |
| C12 | C11 | S10 | C09 | 102.7° | 120.9° |
| C11 | C12 | C14 | H5 | 9.1° | 12.4° |
| C11 | C12 | C14 | H6 | 129.8° | 107.6° |
| C12 | C11 | H17 | H18 | 118.0° | 120.0° |
| C15 | C16 | C17 | C18 | 122.0° | 121.7° |
| C15 | C16 | C17 | H19 | 180.0° | 179.8° |
| C15 | C16 | C17 | C19 | 120.2° | 118.4° |
| C16 | C15 | C14 | H5 | 27.7° | 10.6° |
| C16 | C15 | C14 | H6 | 92.9° | 109.4° |
| C15 | C16 | C17 | H20 | 2.1° | 1.7° |
| C25 | O24 | C23 | C33 | 54.5° | 43.5° |
| C25 | O24 | C23 | C22 | 170.2° | 167.1° |
| C25 | O24 | C23 | H10 | 67.4° | 77.0° |
| O24 | C25 | C26 | H11 | 35.3° | 145.7° |
| O24 | C25 | C26 | H12 | 154.8° | 25.7° |
| O24 | C25 | H24 | H25 | 116.5° | 119.5° |
| C18 | C17 | C16 | C19 | 117.7° | 120.0° |
| C18 | C17 | C16 | H20 | 119.9° | 120.0° |
| C18 | C17 | C19 | H20 | 119.7° | 120.0° |
| C18 | C17 | C19 | N20 | 73.0° | 76.7° |
| C18 | C17 | C19 | C07 | 169.6° | 163.3° |
| C18 | C17 | C19 | H8 | 49.6° | 43.3° |
| C18 | C17 | C16 | H19 | 58.0° | 58.5° |
| C17 | C18 | H21 | H22 | 120.0° | 120.0° |
| C17 | C18 | H21 | H23 | 120.0° | 120.0° |
| C17 | C18 | H22 | H23 | 120.0° | 119.9° |
| C16 | C17 | C19 | H20 | 122.0° | 120.1° |
| C16 | C17 | C19 | N20 | 45.3° | 43.3° |
| C16 | C17 | C19 | C07 | 72.1° | 76.7° |
| C17 | C16 | C15 | H7 | 179.4° | 179.9° |
| C16 | C17 | C19 | H8 | 167.9° | 163.3° |
| C16 | C17 | C18 | H21 | 180.0° | 60.0° |
| C16 | C17 | C18 | H22 | 60.0° | 180.0° |
| C16 | C17 | C18 | H23 | 60.0° | 60.0° |
| C32 | C33 | C23 | O24 | 84.4° | 93.9° |
| C32 | C33 | C23 | C34 | 118.1° | 117.5° |
| C32 | C33 | C23 | H36 | 126.4° | 123.0° |
| C32 | C33 | C34 | H36 | 121.3° | 122.5° |
| C32 | C33 | C23 | C22 | 155.5° | 140.0° |
| C32 | C33 | C34 | N35 | 173.0° | 155.5° |
| C32 | C33 | C23 | H10 | 37.6° | 26.7° |
| C33 | C32 | C27 | H26 | 60.7° | 61.2° |
| C33 | C32 | H34 | H35 | 117.9° | 120.5° |
| C32 | C33 | C34 | H37 | 68.4° | 86.2° |
| C32 | C33 | C34 | H38 | 54.4° | 37.2° |
| C17 | C19 | N20 | C07 | 116.3° | 119.9° |
| C17 | C19 | N20 | H8 | 122.2° | 120.0° |
| C17 | C19 | C07 | H8 | 120.5° | 120.0° |
| C17 | C19 | C07 | O08 | 52.0° | 64.1° |
| C17 | C19 | N20 | C21 | 103.3° | 85.0° |
| C17 | C19 | C07 | C05 | 176.7° | 175.9° |
| C17 | C19 | C07 | H2 | 65.0° | 55.9° |
| C19 | C17 | C16 | H19 | 59.8° | 61.5° |
| C19 | C17 | C18 | H21 | 60.3° | 60.0° |
| C19 | C17 | C18 | H22 | 179.6° | 60.0° |
| C19 | C17 | C18 | H23 | 59.7° | 179.9° |
| C17 | C19 | N20 | H39 | 76.7° | 94.9° |
| C11 | S10 | C09 | O08 | 90.2° | 70.2° |
| C11 | S10 | C09 | C02 | 148.8° | 169.6° |
| C11 | S10 | C09 | H3 | 27.9° | 49.7° |
| S10 | C11 | C12 | H4 | 69.8° | 21.9° |
| S10 | C11 | H17 | H18 | 118.1° | 120.0° |
| O24 | C23 | C33 | C22 | 120.1° | 126.2° |
| O24 | C23 | C33 | H10 | 122.0° | 120.6° |
| O24 | C23 | C33 | C34 | 157.5° | 148.6° |
| O24 | C23 | C22 | H10 | 121.0° | 116.2° |
| O24 | C23 | C22 | C21 | 16.1° | 10.9° |
| O24 | C23 | C22 | N35 | 137.6° | 130.0° |
| O24 | C23 | C22 | H9 | 104.9° | 110.7° |
| C23 | O24 | C25 | H24 | 139.9° | 159.6° |
| C23 | O24 | C25 | H25 | 102.3° | 81.0° |
| O24 | C23 | C33 | H36 | 42.0° | 29.1° |
| C23 | C33 | C34 | H36 | 115.9° | 118.9° |
| C33 | C23 | C22 | H10 | 116.0° | 113.5° |
| C33 | C23 | C22 | C21 | 106.9° | 119.4° |
| C23 | C33 | C34 | N35 | 50.2° | 36.9° |
| C33 | C23 | C22 | N35 | 14.6° | 0.3° |
| C33 | C23 | C22 | H9 | 132.1° | 119.0° |
| C23 | C33 | C32 | H34 | 175.4° | 168.9° |
| C23 | C33 | C32 | H35 | 56.8° | 48.3° |
| C23 | C33 | C34 | H37 | 168.8° | 155.2° |
| C23 | C33 | C34 | H38 | 68.4° | 81.3° |
| C34 | C33 | C23 | C22 | 37.4° | 22.4° |
| C33 | C34 | N35 | H37 | 118.6° | 118.3° |
| C33 | C34 | N35 | H38 | 118.6° | 118.4° |
| C33 | C34 | N35 | C22 | 40.3° | 37.7° |
| C34 | C33 | C23 | H10 | 80.5° | 90.8° |
| C34 | C33 | C32 | H34 | 62.6° | 54.9° |
| C34 | C33 | C32 | H35 | 56.0° | 65.7° |
| C33 | C34 | H37 | H38 | 124.0° | 123.4° |
| C33 | C34 | N35 | H40 | 78.8° | 82.9° |
| C23 | C22 | C21 | N20 | 64.6° | 81.8° |
| C23 | C22 | C21 | O36 | 115.4° | 98.3° |
| C23 | C22 | C21 | N35 | 119.8° | 116.8° |
| C23 | C22 | C21 | H9 | 122.5° | 121.6° |
| C23 | C22 | N35 | C34 | 18.1° | 24.0° |
| C23 | C22 | N35 | H9 | 119.9° | 119.3° |
| C22 | C23 | C33 | H36 | 78.2° | 97.1° |
| C23 | C22 | N35 | H40 | 101.0° | 96.5° |
| N20 | C19 | C07 | H8 | 122.4° | 120.0° |
| N20 | C19 | C07 | O08 | 169.1° | 176.0° |
| C19 | N20 | C21 | H39 | 180.0° | 179.9° |
| C19 | N20 | C21 | O36 | 0.6° | 0.1° |
| C19 | N20 | C21 | C22 | 179.4° | 180.0° |
| N20 | C19 | C07 | C05 | 66.2° | 55.9° |
| N20 | C19 | C07 | H2 | 52.1° | 64.1° |
| N20 | C19 | C17 | H20 | 167.4° | 163.3° |
| C19 | C07 | O08 | C05 | 124.8° | 120.1° |
| C19 | C07 | O08 | H2 | 116.3° | 120.0° |
| C19 | C07 | O08 | C09 | 177.1° | 178.3° |
| C07 | C19 | N20 | C21 | 140.4° | 155.0° |
| C19 | C07 | C05 | H2 | 118.2° | 120.0° |
| C19 | C07 | C05 | O06 | 54.9° | 57.5° |
| C19 | C07 | C05 | C03 | 177.9° | 177.5° |
| C19 | C07 | C05 | H16 | 64.5° | 62.6° |
| C07 | C19 | C17 | H20 | 49.9° | 43.4° |
| C07 | C19 | N20 | H39 | 39.6° | 25.1° |
| S10 | C09 | O08 | C07 | 62.9° | 59.0° |
| S10 | C09 | O08 | C02 | 122.9° | 120.2° |
| S10 | C09 | O08 | H3 | 115.5° | 119.9° |
| S10 | C09 | C02 | H3 | 119.4° | 120.0° |
| S10 | C09 | C02 | C03 | 58.2° | 63.4° |
| S10 | C09 | C02 | O01 | 63.3° | 56.6° |
| S10 | C09 | C02 | H1 | 177.2° | 176.6° |
| C09 | S10 | C11 | H17 | 136.7° | 119.1° |
| C09 | S10 | C11 | H18 | 17.9° | 0.9° |
| O08 | C07 | C05 | H2 | 119.5° | 119.9° |
| C07 | O08 | C09 | C02 | 60.0° | 61.2° |
| O08 | C07 | C05 | O06 | 67.3° | 62.6° |
| O08 | C07 | C05 | C03 | 55.6° | 57.4° |
| C07 | O08 | C09 | H3 | 178.4° | 179.0° |
| O08 | C07 | C19 | H8 | 68.5° | 55.9° |
| O08 | C07 | C05 | H16 | 173.2° | 177.3° |
| C09 | O08 | C07 | C05 | 58.1° | 61.5° |
| O08 | C09 | C02 | H3 | 122.3° | 119.9° |
| O08 | C09 | C02 | C03 | 60.2° | 56.7° |
| O08 | C09 | C02 | O01 | 178.3° | 176.7° |
| O08 | C09 | C02 | H1 | 58.8° | 63.3° |
| C09 | O08 | C07 | H2 | 60.9° | 58.4° |
| N20 | C21 | O36 | C22 | 180.0° | 179.9° |
| N20 | C21 | C22 | N35 | 175.6° | 161.4° |
| C21 | N20 | C19 | H8 | 18.9° | 35.0° |
| N20 | C21 | C22 | H9 | 57.9° | 39.8° |
| O36 | C21 | C22 | N35 | 4.4° | 18.5° |
| O36 | C21 | C22 | H9 | 122.0° | 140.1° |
| O36 | C21 | N20 | H39 | 179.4° | 180.0° |
| C21 | C22 | N35 | C34 | 140.0° | 143.2° |
| C21 | C22 | N35 | H9 | 118.2° | 121.6° |
| C21 | C22 | C23 | H10 | 137.1° | 127.1° |
| C22 | C21 | N20 | H39 | 0.6° | 0.1° |
| C21 | C22 | N35 | H40 | 20.9° | 22.7° |
| C34 | N35 | C22 | H40 | 119.1° | 120.5° |
| C34 | N35 | C22 | H9 | 101.8° | 95.2° |
| N35 | C34 | C33 | H36 | 65.7° | 82.0° |
| N35 | C34 | H37 | H38 | 124.0° | 123.3° |
| C07 | C05 | O06 | C03 | 121.7° | 119.9° |
| C07 | C05 | O06 | H16 | 118.4° | 120.1° |
| C07 | C05 | C03 | H16 | 116.9° | 120.0° |
| C07 | C05 | C03 | C02 | 55.8° | 55.9° |
| C07 | C05 | C03 | O04 | 178.4° | 175.8° |
| C05 | C07 | C19 | H8 | 56.2° | 64.1° |
| C07 | C05 | C03 | H15 | 61.6° | 64.2° |
| C07 | C05 | O06 | H44 | 180.0° | 180.0° |
| C09 | C02 | C03 | C05 | 58.6° | 55.6° |
| C09 | C02 | C03 | O01 | 118.6° | 120.0° |
| C09 | C02 | C03 | H1 | 118.6° | 120.0° |
| C09 | C02 | O01 | H1 | 118.5° | 119.9° |
| C09 | C02 | C03 | O04 | 177.1° | 175.6° |
| C09 | C02 | C03 | H15 | 59.0° | 64.4° |
| C09 | C02 | O01 | H42 | 180.0° | 59.9° |
| N35 | C22 | C23 | H10 | 101.4° | 113.7° |
| C22 | N35 | C34 | H37 | 158.9° | 156.0° |
| C22 | N35 | C34 | H38 | 78.3° | 80.7° |
| O06 | C05 | C03 | H16 | 120.3° | 120.1° |
| O06 | C05 | C03 | C02 | 67.0° | 64.1° |
| O06 | C05 | C03 | O04 | 58.9° | 55.9° |
| O06 | C05 | C07 | H2 | 173.2° | 177.5° |
| O06 | C05 | C03 | H15 | 175.7° | 175.8° |
| C05 | C03 | C02 | O04 | 124.3° | 120.0° |
| C05 | C03 | C02 | H15 | 117.6° | 120.0° |
| C05 | C03 | C02 | O01 | 177.2° | 175.6° |
| C05 | C03 | O04 | H15 | 116.8° | 119.9° |
| C05 | C03 | C02 | H1 | 60.0° | 64.4° |
| C03 | C05 | C07 | H2 | 63.9° | 62.5° |
| C05 | C03 | O04 | H43 | 180.0° | 179.9° |
| C03 | C05 | O06 | H44 | 58.3° | 60.1° |
| C03 | C02 | O01 | H1 | 122.2° | 120.0° |
| C02 | C03 | O04 | H15 | 118.0° | 120.0° |
| C03 | C02 | C09 | H3 | 177.5° | 176.6° |
| C02 | C03 | C05 | H16 | 172.7° | 175.8° |
| C03 | C02 | O01 | H42 | 60.7° | 180.0° |
| C02 | C03 | O04 | H43 | 54.8° | 60.1° |
| O01 | C02 | C03 | O04 | 58.5° | 64.4° |
| O01 | C02 | C09 | H3 | 56.0° | 63.4° |
| O01 | C02 | C03 | H15 | 59.7° | 55.6° |
| O04 | C03 | C02 | H1 | 64.3° | 55.6° |
| O04 | C03 | C05 | H16 | 61.5° | 64.2° |
| H1 | C02 | C09 | H3 | 63.5° | 56.6° |
| H1 | C02 | C03 | H15 | 177.6° | 175.6° |
| H1 | C02 | O01 | H42 | 61.5° | 60.0° |
| H2 | C07 | C19 | H8 | 174.5° | 175.9° |
| H2 | C07 | C05 | H16 | 53.7° | 57.4° |
| H4 | C12 | C14 | H5 | 129.7° | 107.6° |
| H4 | C12 | C14 | H6 | 109.6° | 132.4° |
| H4 | C12 | C11 | H17 | 50.9° | 98.2° |
| H4 | C12 | C11 | H18 | 169.6° | 141.8° |
| H5 | C14 | C15 | H7 | 152.3° | 169.4° |
| H6 | C14 | C15 | H7 | 87.1° | 70.5° |
| H7 | C15 | C16 | H19 | 0.6° | 0.3° |
| H8 | C19 | C17 | H20 | 70.1° | 76.6° |
| H8 | C19 | N20 | H39 | 161.1° | 145.1° |
| H9 | C22 | C23 | H10 | 16.1° | 5.5° |
| H9 | C22 | N35 | H40 | 139.1° | 144.2° |
| H10 | C23 | C33 | H36 | 164.0° | 149.7° |
| H11 | C26 | C25 | H24 | 85.8° | 25.5° |
| H11 | C26 | C25 | H25 | 156.4° | 93.9° |
| H11 | C26 | C27 | H26 | 155.1° | 82.7° |
| H12 | C26 | C25 | H24 | 33.7° | 94.5° |
| H12 | C26 | C25 | H25 | 84.1° | 146.1° |
| H12 | C26 | C27 | H26 | 85.5° | 157.1° |
| H13 | C28 | C27 | H26 | 84.3° | 64.1° |
| H13 | C28 | C29 | H27 | 163.3° | 174.6° |
| H14 | C28 | C27 | H26 | 157.2° | 175.9° |
| H14 | C28 | C29 | H27 | 44.7° | 65.4° |
| H15 | C03 | C05 | H16 | 55.3° | 55.8° |
| H15 | C03 | O04 | H43 | 63.2° | 60.0° |
| H16 | C05 | O06 | H44 | 61.6° | 59.9° |
| H19 | C16 | C17 | H20 | 177.9° | 178.5° |
| H20 | C17 | C18 | H21 | 59.9° | 180.0° |
| H20 | C17 | C18 | H22 | 60.2° | 60.0° |
| H20 | C17 | C18 | H23 | 179.9° | 60.0° |
| H21 | C18 | H22 | H23 | 120.0° | 120.1° |
| H26 | C27 | C32 | H34 | 60.0° | 58.7° |
| H26 | C27 | C32 | H35 | 178.6° | 179.3° |
| H27 | C29 | C30 | H28 | 62.4° | 65.4° |
| H27 | C29 | C30 | H29 | 177.6° | 54.5° |
| H27 | C29 | C30 | H30 | 57.6° | 174.5° |
| H27 | C29 | C31 | H31 | 62.4° | 60.0° |
| H27 | C29 | C31 | H32 | 57.6° | 60.0° |
| H27 | C29 | C31 | H33 | 177.6° | 180.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
| H31 | C31 | H32 | H33 | 120.0° | 120.1° |
| H34 | C32 | C33 | H36 | 58.4° | 68.1° |
| H35 | C32 | C33 | H36 | 177.0° | 171.3° |
| H36 | C33 | C34 | H37 | 52.9° | 36.3° |
| H36 | C33 | C34 | H38 | 175.7° | 159.7° |
| H37 | C34 | N35 | H40 | 39.8° | 35.4° |
| H38 | C34 | N35 | H40 | 162.6° | 158.8° |
