A1EPX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | C30 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | O31 | sing | 1.43Å | 1.43Å | |
| C26 | C21 | sing | 1.53Å | 1.60Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.55Å | |
| C21 | C20 | sing | 1.52Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C17 | sing | 1.52Å | 1.54Å | |
| C20 | C19 | sing | 1.54Å | 1.54Å | |
| C33 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.55Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.52Å | 1.54Å | |
| C18 | C14 | sing | 1.52Å | 1.56Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C14 | C15 | sing | 1.55Å | 1.55Å | |
| C14 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | O6 | doub | 1.21Å | 1.23Å | |
| C5 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | S10 | sing | 1.81Å | 1.77Å | |
| S10 | O11 | doub | 1.42Å | 1.44Å | |
| S10 | O12 | doub | 1.42Å | 1.44Å | |
| S10 | O13 | sing | 1.52Å | 1.48Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| N7 | H22 | sing | 0.97Å | 1.00Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| O31 | H38 | sing | 0.97Å | 0.95Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| O13 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C26 | C27 | 105.9° | 109.5° |
| C32 | C26 | C25 | 109.1° | 109.5° |
| C32 | C26 | C21 | 111.6° | 109.4° |
| C26 | C32 | H39 | 109.5° | 109.5° |
| C26 | C32 | H40 | 109.4° | 109.4° |
| C26 | C32 | H41 | 109.5° | 109.5° |
| C26 | C27 | C28 | 115.2° | 109.5° |
| C27 | C26 | C25 | 109.1° | 109.5° |
| C27 | C26 | C21 | 112.1° | 109.5° |
| C26 | C27 | H33 | 108.0° | 109.4° |
| C26 | C27 | H34 | 108.0° | 109.5° |
| C27 | C28 | C29 | 110.6° | 109.5° |
| C27 | C28 | H14 | 109.2° | 109.4° |
| C27 | C28 | H15 | 109.2° | 109.5° |
| C28 | C27 | H33 | 108.1° | 109.5° |
| C28 | C27 | H34 | 108.0° | 109.5° |
| C26 | C25 | C30 | 113.7° | 109.5° |
| C26 | C25 | C24 | 113.7° | 109.5° |
| C25 | C26 | C21 | 109.0° | 109.4° |
| C26 | C25 | H32 | 106.0° | 109.5° |
| C30 | C25 | C24 | 110.4° | 109.6° |
| C25 | C30 | C29 | 114.0° | 109.4° |
| C30 | C25 | H32 | 106.2° | 109.5° |
| C25 | C30 | H36 | 108.3° | 109.5° |
| C25 | C30 | H37 | 108.3° | 109.5° |
| C25 | C24 | C23 | 113.5° | 109.5° |
| C25 | C24 | H12 | 108.5° | 109.4° |
| C25 | C24 | H13 | 108.5° | 109.5° |
| C24 | C25 | H32 | 106.3° | 109.4° |
| C30 | C29 | C28 | 110.9° | 109.4° |
| C30 | C29 | O31 | 110.1° | 109.4° |
| C30 | C29 | H35 | 108.0° | 109.5° |
| C29 | C30 | H36 | 108.3° | 109.4° |
| C29 | C30 | H37 | 108.3° | 109.5° |
| C28 | C29 | O31 | 110.5° | 109.5° |
| C29 | C28 | H14 | 109.2° | 109.4° |
| C29 | C28 | H15 | 109.2° | 109.5° |
| C28 | C29 | H35 | 108.1° | 109.5° |
| O31 | C29 | H35 | 109.2° | 109.5° |
| C29 | O31 | H38 | 109.5° | 113.9° |
| C26 | C21 | C22 | 112.7° | 109.2° |
| C26 | C21 | C20 | 114.1° | 110.0° |
| C26 | C21 | H10 | 105.1° | 108.3° |
| C24 | C23 | C22 | 113.5° | 109.4° |
| C23 | C24 | H12 | 108.5° | 109.5° |
| C23 | C24 | H13 | 108.4° | 109.4° |
| C24 | C23 | H30 | 108.4° | 109.4° |
| C24 | C23 | H31 | 108.4° | 109.4° |
| C22 | C21 | C20 | 112.6° | 111.7° |
| C21 | C22 | C23 | 110.9° | 109.2° |
| C21 | C22 | C17 | 109.1° | 107.3° |
| C22 | C21 | H10 | 105.6° | 108.9° |
| C21 | C22 | H11 | 108.2° | 109.8° |
| C21 | C20 | C19 | 114.1° | 111.4° |
| C21 | C20 | H8 | 108.3° | 109.1° |
| C21 | C20 | H9 | 108.3° | 109.1° |
| C20 | C21 | H10 | 105.7° | 108.8° |
| C23 | C22 | C17 | 112.0° | 110.4° |
| C23 | C22 | H11 | 108.3° | 110.5° |
| C22 | C23 | H30 | 108.4° | 109.5° |
| C22 | C23 | H31 | 108.4° | 109.5° |
| C22 | C17 | C18 | 115.5° | 107.0° |
| C22 | C17 | C16 | 120.2° | 115.9° |
| C22 | C17 | H7 | 105.4° | 110.9° |
| C17 | C22 | H11 | 108.3° | 109.6° |
| C20 | C19 | C18 | 114.4° | 107.3° |
| C19 | C20 | H8 | 108.3° | 109.1° |
| C19 | C20 | H9 | 108.3° | 109.1° |
| C20 | C19 | H28 | 108.2° | 109.9° |
| C20 | C19 | H29 | 108.3° | 109.9° |
| C33 | C18 | C17 | 113.2° | 109.7° |
| C33 | C18 | C19 | 109.9° | 109.7° |
| C33 | C18 | C14 | 111.4° | 109.7° |
| C18 | C33 | H42 | 109.5° | 109.5° |
| C18 | C33 | H43 | 109.5° | 109.4° |
| C18 | C33 | H44 | 109.5° | 109.5° |
| C18 | C17 | C16 | 103.7° | 101.6° |
| C17 | C18 | C19 | 106.5° | 107.4° |
| C17 | C18 | C14 | 99.2° | 103.3° |
| C18 | C17 | H7 | 105.3° | 110.5° |
| C17 | C16 | C15 | 103.7° | 102.9° |
| C16 | C17 | H7 | 105.4° | 110.4° |
| C17 | C16 | H26 | 110.9° | 110.7° |
| C17 | C16 | H27 | 110.9° | 110.7° |
| C19 | C18 | C14 | 116.2° | 116.7° |
| C18 | C19 | H28 | 108.3° | 109.9° |
| C18 | C19 | H29 | 108.2° | 109.8° |
| C18 | C14 | C15 | 103.7° | 105.3° |
| C18 | C14 | C2 | 120.6° | 110.3° |
| C18 | C14 | H25 | 106.3° | 110.3° |
| C16 | C15 | C14 | 106.9° | 106.4° |
| C16 | C15 | H5 | 110.1° | 110.1° |
| C16 | C15 | H6 | 110.1° | 110.1° |
| C15 | C16 | H26 | 110.9° | 110.7° |
| C15 | C16 | H27 | 110.9° | 110.8° |
| C15 | C14 | C2 | 112.4° | 110.3° |
| C14 | C15 | H5 | 110.1° | 110.1° |
| C14 | C15 | H6 | 110.1° | 110.0° |
| C15 | C14 | H25 | 106.4° | 110.2° |
| C14 | C2 | C1 | 113.6° | 109.5° |
| C14 | C2 | C3 | 111.1° | 109.5° |
| C14 | C2 | H19 | 107.5° | 109.4° |
| C2 | C14 | H25 | 106.5° | 110.2° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.4° | 109.5° |
| C1 | C2 | H19 | 107.7° | 109.5° |
| C2 | C3 | C4 | 115.7° | 109.4° |
| C3 | C2 | H19 | 107.5° | 109.4° |
| C2 | C3 | H20 | 107.9° | 109.4° |
| C2 | C3 | H21 | 107.9° | 109.5° |
| C3 | C4 | C5 | 113.6° | 109.4° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C3 | C4 | H2 | 108.5° | 109.5° |
| C4 | C3 | H20 | 107.9° | 109.5° |
| C4 | C3 | H21 | 107.9° | 109.5° |
| C4 | C5 | O6 | 121.3° | 120.1° |
| C4 | C5 | N7 | 115.9° | 120.0° |
| C5 | C4 | H1 | 108.5° | 109.5° |
| C5 | C4 | H2 | 108.4° | 109.4° |
| O6 | C5 | N7 | 122.8° | 119.9° |
| C5 | N7 | C8 | 123.0° | 120.0° |
| C5 | N7 | H22 | 118.5° | 120.0° |
| N7 | C8 | C9 | 111.6° | 109.5° |
| N7 | C8 | H3 | 108.9° | 109.5° |
| N7 | C8 | H4 | 108.9° | 109.5° |
| C8 | N7 | H22 | 118.5° | 120.0° |
| C8 | C9 | S10 | 109.5° | 109.5° |
| C9 | C8 | H3 | 108.9° | 109.5° |
| C9 | C8 | H4 | 108.9° | 109.5° |
| C8 | C9 | H23 | 109.4° | 109.5° |
| C8 | C9 | H24 | 109.5° | 109.5° |
| C9 | S10 | O11 | 107.0° | 110.5° |
| C9 | S10 | O12 | 107.0° | 110.6° |
| C9 | S10 | O13 | 105.6° | 104.5° |
| S10 | C9 | H23 | 109.5° | 109.5° |
| S10 | C9 | H24 | 109.5° | 109.4° |
| O11 | S10 | O12 | 114.6° | 121.0° |
| O11 | S10 | O13 | 111.0° | 104.3° |
| O12 | S10 | O13 | 111.0° | 104.3° |
| S10 | O13 | H45 | 109.5° | 114.1° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 110.1° |
| H8 | C20 | H9 | 109.5° | 109.0° |
| H12 | C24 | H13 | 109.4° | 109.4° |
| H14 | C28 | H15 | 109.4° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H20 | C3 | H21 | 109.5° | 109.5° |
| H23 | C9 | H24 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 110.8° |
| H28 | C19 | H29 | 109.5° | 109.9° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.4° | 109.5° |
| H39 | C32 | H40 | 109.4° | 109.5° |
| H39 | C32 | H41 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.5° | 109.4° |
| H42 | C33 | H44 | 109.4° | 109.5° |
| H43 | C33 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C26 | C27 | C25 | 117.3° | 120.1° |
| C32 | C26 | C27 | C21 | 121.9° | 120.0° |
| C32 | C26 | C27 | C28 | 167.9° | 180.0° |
| C32 | C26 | C25 | C21 | 122.1° | 120.0° |
| C32 | C26 | C25 | C30 | 161.6° | 179.9° |
| C32 | C26 | C25 | C24 | 71.0° | 59.8° |
| C32 | C26 | C21 | C22 | 66.9° | 59.5° |
| C32 | C26 | C21 | C20 | 63.2° | 63.4° |
| C32 | C26 | C21 | H10 | 178.5° | 177.9° |
| C32 | C26 | C25 | H32 | 45.4° | 60.0° |
| C32 | C26 | C27 | H33 | 47.0° | 60.0° |
| C32 | C26 | C27 | H34 | 71.3° | 60.0° |
| C26 | C32 | H39 | H40 | 120.0° | 119.9° |
| C26 | C32 | H39 | H41 | 120.0° | 120.0° |
| C26 | C32 | H40 | H41 | 120.0° | 119.9° |
| C26 | C27 | C28 | H33 | 120.8° | 120.0° |
| C26 | C27 | C28 | H34 | 120.8° | 120.0° |
| C27 | C26 | C25 | C21 | 122.7° | 120.0° |
| C27 | C26 | C25 | C30 | 46.4° | 60.0° |
| C27 | C26 | C25 | C24 | 173.8° | 179.9° |
| C26 | C27 | C28 | C29 | 56.4° | 60.0° |
| C27 | C26 | C21 | C22 | 174.5° | 179.5° |
| C27 | C26 | C21 | C20 | 55.3° | 56.7° |
| C27 | C26 | C21 | H10 | 60.0° | 62.1° |
| C26 | C27 | C28 | H14 | 176.6° | 179.9° |
| C26 | C27 | C28 | H15 | 63.7° | 60.1° |
| C27 | C26 | C25 | H32 | 69.9° | 60.0° |
| C26 | C27 | H33 | H34 | 117.4° | 120.0° |
| C27 | C26 | C32 | H39 | 180.0° | 60.0° |
| C27 | C26 | C32 | H40 | 60.0° | 60.0° |
| C27 | C26 | C32 | H41 | 60.0° | 179.9° |
| C28 | C27 | C26 | C25 | 50.5° | 59.9° |
| C27 | C28 | C29 | C30 | 55.9° | 60.0° |
| C27 | C28 | C29 | H14 | 120.2° | 119.9° |
| C27 | C28 | C29 | H15 | 120.2° | 120.1° |
| C27 | C28 | C29 | O31 | 178.2° | 180.0° |
| C28 | C27 | C26 | C21 | 70.3° | 60.0° |
| C27 | C28 | H14 | H15 | 119.5° | 120.0° |
| C28 | C27 | H33 | H34 | 117.4° | 120.0° |
| C27 | C28 | C29 | H35 | 62.4° | 60.0° |
| C26 | C25 | C30 | C24 | 129.1° | 120.1° |
| C26 | C25 | C30 | H32 | 116.1° | 120.0° |
| C26 | C25 | C24 | H32 | 116.2° | 119.9° |
| C26 | C25 | C30 | C29 | 50.5° | 60.1° |
| C26 | C25 | C24 | C23 | 51.2° | 59.8° |
| C25 | C26 | C21 | C22 | 53.6° | 60.5° |
| C25 | C26 | C21 | C20 | 176.2° | 176.6° |
| C25 | C26 | C21 | H10 | 60.9° | 57.9° |
| C26 | C25 | C24 | H12 | 69.5° | 179.8° |
| C26 | C25 | C24 | H13 | 171.7° | 60.2° |
| C25 | C26 | C27 | H33 | 70.3° | 60.1° |
| C25 | C26 | C27 | H34 | 171.3° | 180.0° |
| C26 | C25 | C30 | H36 | 70.2° | 59.9° |
| C26 | C25 | C30 | H37 | 171.2° | 180.0° |
| C25 | C26 | C32 | H39 | 62.7° | 180.0° |
| C25 | C26 | C32 | H40 | 177.3° | 60.1° |
| C25 | C26 | C32 | H41 | 57.3° | 59.9° |
| C30 | C25 | C24 | H32 | 114.8° | 120.0° |
| C25 | C30 | C29 | H36 | 120.7° | 120.0° |
| C25 | C30 | C29 | H37 | 120.7° | 120.0° |
| C25 | C30 | C29 | C28 | 54.4° | 60.1° |
| C25 | C30 | C29 | O31 | 176.9° | 179.9° |
| C30 | C25 | C26 | C21 | 76.3° | 60.0° |
| C30 | C25 | C24 | C23 | 77.9° | 60.2° |
| C30 | C25 | C24 | H12 | 161.5° | 59.8° |
| C30 | C25 | C24 | H13 | 42.7° | 179.7° |
| C25 | C30 | C29 | H35 | 63.9° | 60.0° |
| C25 | C30 | H36 | H37 | 117.9° | 120.1° |
| C24 | C25 | C30 | C29 | 179.6° | 179.9° |
| C24 | C25 | C26 | C21 | 51.1° | 60.1° |
| C25 | C24 | C23 | H12 | 120.6° | 119.9° |
| C25 | C24 | C23 | H13 | 120.6° | 120.1° |
| C25 | C24 | C23 | C22 | 51.4° | 60.1° |
| C25 | C24 | H12 | H13 | 118.2° | 120.0° |
| C25 | C24 | C23 | H30 | 172.0° | 60.0° |
| C25 | C24 | C23 | H31 | 69.2° | 179.9° |
| C24 | C25 | C30 | H36 | 58.9° | 60.2° |
| C24 | C25 | C30 | H37 | 59.7° | 59.9° |
| C30 | C29 | C28 | O31 | 122.3° | 120.0° |
| C30 | C29 | C28 | H35 | 118.2° | 120.0° |
| C30 | C29 | O31 | H35 | 118.4° | 120.0° |
| C30 | C29 | C28 | H14 | 176.0° | 180.0° |
| C30 | C29 | C28 | H15 | 64.4° | 60.0° |
| C29 | C30 | C25 | H32 | 65.6° | 59.9° |
| C29 | C30 | H36 | H37 | 117.9° | 120.0° |
| C30 | C29 | O31 | H38 | 180.0° | 180.0° |
| C28 | C29 | O31 | H35 | 118.8° | 120.1° |
| C29 | C28 | H14 | H15 | 119.5° | 120.0° |
| C29 | C28 | C27 | H33 | 64.4° | 60.0° |
| C29 | C28 | C27 | H34 | 177.3° | 180.0° |
| C28 | C29 | C30 | H36 | 66.3° | 59.9° |
| C28 | C29 | C30 | H37 | 175.1° | 179.9° |
| C28 | C29 | O31 | H38 | 57.2° | 60.0° |
| O31 | C29 | C28 | H14 | 61.7° | 60.1° |
| O31 | C29 | C28 | H15 | 58.0° | 59.9° |
| O31 | C29 | C30 | H36 | 56.2° | 60.1° |
| O31 | C29 | C30 | H37 | 62.4° | 59.9° |
| C26 | C21 | C22 | C20 | 130.9° | 121.9° |
| C26 | C21 | C22 | H10 | 114.2° | 118.0° |
| C26 | C21 | C20 | H10 | 114.9° | 118.4° |
| C26 | C21 | C22 | C23 | 54.9° | 60.6° |
| C26 | C21 | C22 | C17 | 178.8° | 179.7° |
| C26 | C21 | C20 | C19 | 178.6° | 176.2° |
| C26 | C21 | C20 | H8 | 60.7° | 63.3° |
| C26 | C21 | C20 | H9 | 57.9° | 55.7° |
| C26 | C21 | C22 | H11 | 63.7° | 60.6° |
| C21 | C26 | C25 | H32 | 167.4° | 180.0° |
| C21 | C26 | C27 | H33 | 168.9° | 180.0° |
| C21 | C26 | C27 | H34 | 50.5° | 60.0° |
| C21 | C26 | C32 | H39 | 57.8° | 60.0° |
| C21 | C26 | C32 | H40 | 62.2° | 180.0° |
| C21 | C26 | C32 | H41 | 177.8° | 60.1° |
| C24 | C23 | C22 | C21 | 53.1° | 60.4° |
| C24 | C23 | C22 | H30 | 120.6° | 120.0° |
| C24 | C23 | C22 | H31 | 120.6° | 119.9° |
| C24 | C23 | C22 | C17 | 175.2° | 178.2° |
| C24 | C23 | C22 | H11 | 65.5° | 60.4° |
| C23 | C24 | H12 | H13 | 118.1° | 120.0° |
| C24 | C23 | H30 | H31 | 118.1° | 120.0° |
| C23 | C24 | C25 | H32 | 167.3° | 179.8° |
| C22 | C21 | C20 | H10 | 114.9° | 120.2° |
| C21 | C22 | C23 | C17 | 122.1° | 117.7° |
| C21 | C22 | C23 | H11 | 118.5° | 120.8° |
| C21 | C22 | C17 | H11 | 117.5° | 119.2° |
| C22 | C21 | C20 | C19 | 48.4° | 54.8° |
| C21 | C22 | C17 | C18 | 58.0° | 64.3° |
| C21 | C22 | C17 | C16 | 176.4° | 176.8° |
| C21 | C22 | C17 | H7 | 57.7° | 56.2° |
| C22 | C21 | C20 | H8 | 169.1° | 175.3° |
| C22 | C21 | C20 | H9 | 72.3° | 65.7° |
| C21 | C22 | C23 | H30 | 173.7° | 59.6° |
| C21 | C22 | C23 | H31 | 67.5° | 179.6° |
| C20 | C21 | C22 | C23 | 174.2° | 177.5° |
| C20 | C21 | C22 | C17 | 50.3° | 57.8° |
| C21 | C20 | C19 | H8 | 120.7° | 120.5° |
| C21 | C20 | C19 | H9 | 120.7° | 120.4° |
| C21 | C20 | C19 | C18 | 50.7° | 57.5° |
| C21 | C20 | H8 | H9 | 117.9° | 119.1° |
| C20 | C21 | C22 | H11 | 67.2° | 61.2° |
| C21 | C20 | C19 | H28 | 70.1° | 62.1° |
| C21 | C20 | C19 | H29 | 171.4° | 176.8° |
| C23 | C22 | C17 | H11 | 119.4° | 122.0° |
| C23 | C22 | C17 | C18 | 178.8° | 176.8° |
| C23 | C22 | C17 | C16 | 53.3° | 64.3° |
| C23 | C22 | C17 | H7 | 65.4° | 62.7° |
| C23 | C22 | C21 | H10 | 59.3° | 57.4° |
| C22 | C23 | C24 | H12 | 69.2° | 180.0° |
| C22 | C23 | C24 | H13 | 172.0° | 60.0° |
| C22 | C23 | H30 | H31 | 118.2° | 120.0° |
| C22 | C17 | C18 | C33 | 62.9° | 49.4° |
| C22 | C17 | C18 | C16 | 133.6° | 122.0° |
| C22 | C17 | C18 | H7 | 115.8° | 120.9° |
| C22 | C17 | C16 | H7 | 118.7° | 127.2° |
| C22 | C17 | C18 | C19 | 58.1° | 69.9° |
| C22 | C17 | C18 | C14 | 179.0° | 166.3° |
| C22 | C17 | C16 | C15 | 165.7° | 157.2° |
| C17 | C22 | C21 | H10 | 64.6° | 62.3° |
| C22 | C17 | C16 | H26 | 46.7° | 84.5° |
| C22 | C17 | C16 | H27 | 75.2° | 38.8° |
| C17 | C22 | C23 | H30 | 64.2° | 58.2° |
| C17 | C22 | C23 | H31 | 54.6° | 61.9° |
| C20 | C19 | C18 | C33 | 70.5° | 54.8° |
| C20 | C19 | C18 | C17 | 52.5° | 64.5° |
| C20 | C19 | C18 | H28 | 120.7° | 119.5° |
| C20 | C19 | C18 | H29 | 120.7° | 119.4° |
| C20 | C19 | C18 | C14 | 161.9° | 179.7° |
| C19 | C20 | H8 | H9 | 117.9° | 119.0° |
| C19 | C20 | C21 | H10 | 66.5° | 65.4° |
| C20 | C19 | H28 | H29 | 117.8° | 121.1° |
| C33 | C18 | C17 | C19 | 120.9° | 119.2° |
| C33 | C18 | C17 | C14 | 118.2° | 116.9° |
| C33 | C18 | C17 | C16 | 70.8° | 72.6° |
| C33 | C18 | C19 | C14 | 127.6° | 125.5° |
| C33 | C18 | C14 | C15 | 78.2° | 87.8° |
| C33 | C18 | C14 | C2 | 48.8° | 31.2° |
| C33 | C18 | C17 | H7 | 178.7° | 170.2° |
| C33 | C18 | C14 | H25 | 169.9° | 153.2° |
| C33 | C18 | C19 | H28 | 168.8° | 174.3° |
| C33 | C18 | C19 | H29 | 50.2° | 64.7° |
| C18 | C33 | H42 | H43 | 120.0° | 119.9° |
| C18 | C33 | H42 | H44 | 120.0° | 120.0° |
| C18 | C33 | H43 | H44 | 120.0° | 120.0° |
| C18 | C17 | C16 | H7 | 110.4° | 117.2° |
| C17 | C18 | C19 | C14 | 109.4° | 115.3° |
| C18 | C17 | C16 | C15 | 34.9° | 41.6° |
| C17 | C18 | C14 | C15 | 41.3° | 29.1° |
| C17 | C18 | C14 | C2 | 168.3° | 148.1° |
| C18 | C17 | C22 | H11 | 59.5° | 54.8° |
| C17 | C18 | C14 | H25 | 70.6° | 89.8° |
| C18 | C17 | C16 | H26 | 84.2° | 160.0° |
| C18 | C17 | C16 | H27 | 153.9° | 76.8° |
| C17 | C18 | C19 | H28 | 68.2° | 55.1° |
| C17 | C18 | C19 | H29 | 173.2° | 176.1° |
| C17 | C18 | C33 | H42 | 180.0° | 60.0° |
| C17 | C18 | C33 | H43 | 60.0° | 180.0° |
| C17 | C18 | C33 | H44 | 60.0° | 60.0° |
| C16 | C17 | C18 | C19 | 168.3° | 168.2° |
| C16 | C17 | C18 | C14 | 47.4° | 44.3° |
| C17 | C16 | C15 | H26 | 119.1° | 118.3° |
| C17 | C16 | C15 | H27 | 119.1° | 118.3° |
| C17 | C16 | C15 | C14 | 8.3° | 24.1° |
| C17 | C16 | C15 | H5 | 127.9° | 95.3° |
| C17 | C16 | C15 | H6 | 111.3° | 143.2° |
| C16 | C17 | C22 | H11 | 66.1° | 57.7° |
| C17 | C16 | H26 | H27 | 122.7° | 123.2° |
| C19 | C18 | C14 | C15 | 154.9° | 146.6° |
| C19 | C18 | C14 | C2 | 78.1° | 94.3° |
| C19 | C18 | C17 | H7 | 57.8° | 51.0° |
| C18 | C19 | C20 | H8 | 171.3° | 178.0° |
| C18 | C19 | C20 | H9 | 70.0° | 63.0° |
| C19 | C18 | C14 | H25 | 43.0° | 27.7° |
| C18 | C19 | H28 | H29 | 117.7° | 121.0° |
| C19 | C18 | C33 | H42 | 61.1° | 177.8° |
| C19 | C18 | C33 | H43 | 59.0° | 62.3° |
| C19 | C18 | C33 | H44 | 179.0° | 57.8° |
| C18 | C14 | C15 | C16 | 21.1° | 3.3° |
| C18 | C14 | C15 | C2 | 131.9° | 119.0° |
| C18 | C14 | C15 | H25 | 111.9° | 119.0° |
| C18 | C14 | C2 | H25 | 121.0° | 122.1° |
| C18 | C14 | C2 | C1 | 50.0° | 62.6° |
| C18 | C14 | C2 | C3 | 173.7° | 177.3° |
| C18 | C14 | C15 | H5 | 98.6° | 122.7° |
| C18 | C14 | C15 | H6 | 140.7° | 115.9° |
| C14 | C18 | C17 | H7 | 63.1° | 72.9° |
| C18 | C14 | C2 | H19 | 69.0° | 57.4° |
| C14 | C18 | C19 | H28 | 41.1° | 60.2° |
| C14 | C18 | C19 | H29 | 77.4° | 60.9° |
| C14 | C18 | C33 | H42 | 69.2° | 52.8° |
| C14 | C18 | C33 | H43 | 170.8° | 67.1° |
| C14 | C18 | C33 | H44 | 50.8° | 172.8° |
| C16 | C15 | C14 | H5 | 119.6° | 119.3° |
| C16 | C15 | C14 | H6 | 119.6° | 119.2° |
| C16 | C15 | C14 | C2 | 153.0° | 122.3° |
| C16 | C15 | H5 | H6 | 121.2° | 121.5° |
| C15 | C16 | C17 | H7 | 75.5° | 75.6° |
| C16 | C15 | C14 | H25 | 90.8° | 115.7° |
| C15 | C16 | H26 | H27 | 122.7° | 123.3° |
| C15 | C14 | C2 | H25 | 116.1° | 121.9° |
| C15 | C14 | C2 | C1 | 172.9° | 178.5° |
| C15 | C14 | C2 | C3 | 63.4° | 61.4° |
| C14 | C15 | H5 | H6 | 121.2° | 121.4° |
| C15 | C14 | C2 | H19 | 53.9° | 58.6° |
| C14 | C15 | C16 | H26 | 110.7° | 142.4° |
| C14 | C15 | C16 | H27 | 127.4° | 94.3° |
| C14 | C2 | C1 | C3 | 124.7° | 120.1° |
| C14 | C2 | C1 | H19 | 118.9° | 120.0° |
| C14 | C2 | C3 | H19 | 117.3° | 120.0° |
| C14 | C2 | C3 | C4 | 150.0° | 175.0° |
| C2 | C14 | C15 | H5 | 33.4° | 118.3° |
| C2 | C14 | C15 | H6 | 87.4° | 3.2° |
| C14 | C2 | C1 | H16 | 180.0° | 60.0° |
| C14 | C2 | C1 | H17 | 60.0° | 59.9° |
| C14 | C2 | C1 | H18 | 60.0° | 180.0° |
| C14 | C2 | C3 | H20 | 29.1° | 65.0° |
| C14 | C2 | C3 | H21 | 89.1° | 55.0° |
| C1 | C2 | C3 | H19 | 116.6° | 120.0° |
| C1 | C2 | C3 | C4 | 83.8° | 65.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.1° |
| C1 | C2 | C3 | H20 | 155.3° | 55.0° |
| C1 | C2 | C3 | H21 | 37.0° | 175.0° |
| C1 | C2 | C14 | H25 | 71.0° | 59.5° |
| C2 | C3 | C4 | H20 | 120.9° | 120.0° |
| C2 | C3 | C4 | H21 | 120.9° | 120.0° |
| C2 | C3 | C4 | C5 | 175.6° | 180.0° |
| C2 | C3 | C4 | H1 | 63.8° | 60.0° |
| C2 | C3 | C4 | H2 | 55.0° | 60.0° |
| C3 | C2 | C1 | H16 | 55.3° | 60.0° |
| C3 | C2 | C1 | H17 | 64.7° | 180.0° |
| C3 | C2 | C1 | H18 | 175.3° | 60.0° |
| C2 | C3 | H20 | H21 | 117.2° | 120.0° |
| C3 | C2 | C14 | H25 | 52.7° | 60.6° |
| C3 | C4 | C5 | H1 | 120.6° | 120.0° |
| C3 | C4 | C5 | H2 | 120.6° | 120.0° |
| C3 | C4 | C5 | O6 | 17.6° | 0.0° |
| C3 | C4 | C5 | N7 | 163.0° | 180.0° |
| C3 | C4 | H1 | H2 | 118.1° | 120.0° |
| C4 | C3 | C2 | H19 | 32.7° | 55.0° |
| C4 | C3 | H20 | H21 | 117.1° | 120.0° |
| C4 | C5 | O6 | N7 | 179.4° | 179.9° |
| C4 | C5 | N7 | C8 | 179.8° | 180.0° |
| C5 | C4 | H1 | H2 | 118.1° | 120.0° |
| C5 | C4 | C3 | H20 | 54.7° | 60.0° |
| C5 | C4 | C3 | H21 | 63.5° | 60.1° |
| C4 | C5 | N7 | H22 | 0.2° | 0.1° |
| O6 | C5 | N7 | C8 | 0.8° | 0.1° |
| O6 | C5 | C4 | H1 | 103.0° | 120.0° |
| O6 | C5 | C4 | H2 | 138.2° | 120.0° |
| O6 | C5 | N7 | H22 | 179.2° | 180.0° |
| C5 | N7 | C8 | H22 | 180.0° | 179.9° |
| C5 | N7 | C8 | C9 | 83.6° | 180.0° |
| N7 | C5 | C4 | H1 | 76.4° | 59.9° |
| N7 | C5 | C4 | H2 | 42.4° | 60.1° |
| C5 | N7 | C8 | H3 | 156.1° | 60.0° |
| C5 | N7 | C8 | H4 | 36.7° | 59.9° |
| N7 | C8 | C9 | H3 | 120.3° | 120.0° |
| N7 | C8 | C9 | H4 | 120.3° | 120.0° |
| N7 | C8 | C9 | S10 | 179.3° | 180.0° |
| N7 | C8 | H3 | H4 | 119.0° | 119.9° |
| N7 | C8 | C9 | H23 | 59.3° | 60.0° |
| N7 | C8 | C9 | H24 | 60.7° | 60.0° |
| C8 | C9 | S10 | H23 | 120.0° | 120.0° |
| C8 | C9 | S10 | H24 | 120.0° | 120.0° |
| C8 | C9 | S10 | O11 | 63.5° | 68.4° |
| C8 | C9 | S10 | O12 | 59.8° | 68.4° |
| C8 | C9 | S10 | O13 | 178.1° | 180.0° |
| C9 | C8 | H3 | H4 | 119.0° | 120.0° |
| C9 | C8 | N7 | H22 | 96.4° | 0.0° |
| C8 | C9 | H23 | H24 | 120.0° | 120.0° |
| C9 | S10 | O11 | O12 | 118.5° | 131.5° |
| C9 | S10 | O11 | O13 | 114.7° | 111.8° |
| C9 | S10 | O12 | O13 | 114.7° | 111.8° |
| S10 | C9 | C8 | H3 | 60.4° | 60.0° |
| S10 | C9 | C8 | H4 | 59.0° | 60.0° |
| S10 | C9 | H23 | H24 | 120.0° | 120.0° |
| C9 | S10 | O13 | H45 | 115.6° | 180.0° |
| O11 | S10 | O12 | O13 | 126.8° | 116.7° |
| O11 | S10 | C9 | H23 | 56.5° | 171.6° |
| O11 | S10 | C9 | H24 | 176.4° | 51.6° |
| O11 | S10 | O13 | H45 | 128.8° | 63.9° |
| O12 | S10 | C9 | H23 | 179.8° | 51.7° |
| O12 | S10 | C9 | H24 | 60.2° | 171.7° |
| O12 | S10 | O13 | H45 | 0.0° | 63.9° |
| O13 | S10 | C9 | H23 | 61.9° | 60.0° |
| O13 | S10 | C9 | H24 | 58.1° | 60.0° |
| H1 | C4 | C3 | H20 | 175.3° | 180.0° |
| H1 | C4 | C3 | H21 | 57.1° | 60.0° |
| H2 | C4 | C3 | H20 | 65.9° | 60.0° |
| H2 | C4 | C3 | H21 | 175.9° | 180.0° |
| H3 | C8 | N7 | H22 | 23.9° | 120.1° |
| H3 | C8 | C9 | H23 | 179.6° | 180.0° |
| H3 | C8 | C9 | H24 | 59.6° | 60.0° |
| H4 | C8 | N7 | H22 | 143.3° | 120.0° |
| H4 | C8 | C9 | H23 | 61.0° | 60.0° |
| H4 | C8 | C9 | H24 | 179.0° | 180.0° |
| H5 | C15 | C14 | H25 | 149.6° | 3.7° |
| H5 | C15 | C16 | H26 | 8.9° | 23.1° |
| H5 | C15 | C16 | H27 | 113.0° | 146.4° |
| H6 | C15 | C14 | H25 | 28.8° | 125.1° |
| H6 | C15 | C16 | H26 | 129.7° | 98.4° |
| H6 | C15 | C16 | H27 | 7.8° | 24.9° |
| H7 | C17 | C22 | H11 | 175.2° | 175.4° |
| H7 | C17 | C16 | H26 | 165.4° | 42.7° |
| H7 | C17 | C16 | H27 | 43.5° | 166.0° |
| H8 | C20 | C21 | H10 | 54.2° | 55.1° |
| H8 | C20 | C19 | H28 | 50.6° | 58.5° |
| H8 | C20 | C19 | H29 | 68.0° | 62.6° |
| H9 | C20 | C21 | H10 | 172.9° | 174.1° |
| H9 | C20 | C19 | H28 | 169.3° | 177.5° |
| H9 | C20 | C19 | H29 | 50.7° | 56.4° |
| H10 | C21 | C22 | H11 | 177.9° | 178.6° |
| H11 | C22 | C23 | H30 | 55.1° | 179.6° |
| H11 | C22 | C23 | H31 | 174.0° | 59.6° |
| H12 | C24 | C23 | H30 | 51.4° | 60.0° |
| H12 | C24 | C23 | H31 | 170.2° | 60.0° |
| H12 | C24 | C25 | H32 | 46.7° | 60.2° |
| H13 | C24 | C23 | H30 | 67.4° | 179.9° |
| H13 | C24 | C23 | H31 | 51.4° | 60.0° |
| H13 | C24 | C25 | H32 | 72.1° | 59.7° |
| H14 | C28 | C27 | H33 | 55.8° | 59.9° |
| H14 | C28 | C27 | H34 | 62.5° | 60.1° |
| H14 | C28 | C29 | H35 | 57.8° | 60.0° |
| H15 | C28 | C27 | H33 | 175.4° | 179.9° |
| H15 | C28 | C27 | H34 | 57.1° | 59.9° |
| H15 | C28 | C29 | H35 | 177.4° | 180.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H16 | C1 | C2 | H19 | 61.1° | 180.0° |
| H17 | C1 | C2 | H19 | 178.9° | 60.0° |
| H18 | C1 | C2 | H19 | 58.9° | 60.0° |
| H19 | C2 | C3 | H20 | 88.2° | 175.0° |
| H19 | C2 | C3 | H21 | 153.6° | 65.0° |
| H19 | C2 | C14 | H25 | 170.0° | 179.5° |
| H32 | C25 | C30 | H36 | 173.7° | 179.9° |
| H32 | C25 | C30 | H37 | 55.1° | 60.0° |
| H35 | C29 | C30 | H36 | 175.4° | 179.9° |
| H35 | C29 | C30 | H37 | 56.8° | 60.0° |
| H35 | C29 | O31 | H38 | 61.6° | 60.1° |
| H39 | C32 | H40 | H41 | 120.0° | 120.1° |
| H42 | C33 | H43 | H44 | 120.0° | 120.1° |
