7A0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C21 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | N36 | sing | 1.47Å | 1.48Å | |
| C22 | N36 | sing | 1.47Å | 1.48Å | |
| N36 | C28 | sing | 1.47Å | 1.48Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | N34 | sing | 1.47Å | 1.44Å | |
| N34 | C17 | sing | 1.35Å | 1.37Å | |
| O37 | C17 | doub | 1.22Å | 1.23Å | |
| C17 | C10 | sing | 1.47Å | 1.47Å | |
| N33 | C26 | sing | 1.47Å | 1.45Å | |
| N33 | C15 | sing | 1.38Å | 1.40Å | |
| C24 | C26 | sing | 1.53Å | 1.51Å | |
| C10 | C15 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | N29 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N29 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.48Å | 1.46Å | |
| C9 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | F39 | sing | 1.35Å | 1.35Å | |
| C12 | N32 | sing | 1.40Å | 1.41Å | |
| N32 | C18 | sing | 1.35Å | 1.38Å | |
| O38 | C18 | doub | 1.22Å | 1.22Å | |
| C18 | N35 | sing | 1.35Å | 1.37Å | |
| N35 | C25 | sing | 1.46Å | 1.44Å | |
| C25 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | N30 | doub | 1.32Å | 1.33Å | Aromatic |
| C6 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| N30 | C16 | sing | 1.32Å | 1.33Å | Aromatic |
| N30 | C31 | sing | 1.46Å | 1.46Å | |
| C16 | N31 | sing | 1.39Å | 1.40Å | |
| O32 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C31 | sing | 1.55Å | 1.51Å | |
| C32 | C33 | sing | 1.55Å | 1.50Å | |
| C31 | O34 | sing | 1.44Å | 1.42Å | |
| O34 | C34 | sing | 1.44Å | 1.43Å | |
| C33 | O33 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.54Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | O35 | sing | 1.43Å | 1.42Å | |
| O35 | P | sing | 1.61Å | 1.63Å | |
| O3P | P | doub | 1.48Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| N31 | H36 | sing | 0.97Å | 1.00Å | |
| N31 | H37 | sing | 0.97Å | 1.00Å | |
| N32 | H38 | sing | 0.97Å | 1.00Å | |
| N33 | H39 | sing | 0.97Å | 1.00Å | |
| N34 | H40 | sing | 0.97Å | 1.00Å | |
| N35 | H41 | sing | 0.97Å | 1.00Å | |
| O1P | H43 | sing | 0.97Å | 0.95Å | |
| O2P | H44 | sing | 0.97Å | 0.95Å | |
| O33 | H45 | sing | 0.97Å | 0.95Å | |
| O32 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C19 | C20 | 110.6° | 109.1° |
| C19 | C21 | C23 | 109.8° | 109.3° |
| C21 | C19 | H9 | 109.2° | 109.5° |
| C21 | C19 | H10 | 109.2° | 109.5° |
| C19 | C21 | H13 | 109.4° | 109.5° |
| C19 | C21 | H14 | 109.4° | 109.5° |
| C19 | C20 | C22 | 110.7° | 109.3° |
| C20 | C19 | H9 | 109.2° | 109.5° |
| C20 | C19 | H10 | 109.2° | 109.5° |
| C19 | C20 | H11 | 109.2° | 109.5° |
| C19 | C20 | H12 | 109.1° | 109.5° |
| C21 | C23 | N36 | 107.6° | 109.5° |
| C23 | C21 | H13 | 109.4° | 109.5° |
| C23 | C21 | H14 | 109.4° | 109.5° |
| C21 | C23 | H17 | 110.0° | 109.5° |
| C21 | C23 | H18 | 109.9° | 109.5° |
| C20 | C22 | N36 | 107.0° | 109.5° |
| C22 | C20 | H11 | 109.2° | 109.5° |
| C22 | C20 | H12 | 109.2° | 109.5° |
| C20 | C22 | H15 | 110.1° | 109.5° |
| C20 | C22 | H16 | 110.1° | 109.5° |
| C23 | N36 | C22 | 111.4° | 111.2° |
| C23 | N36 | C28 | 112.0° | 111.0° |
| N36 | C23 | H17 | 109.9° | 109.5° |
| N36 | C23 | H18 | 109.9° | 109.5° |
| C22 | N36 | C28 | 112.4° | 111.0° |
| N36 | C22 | H15 | 110.1° | 109.4° |
| N36 | C22 | H16 | 110.1° | 109.4° |
| N36 | C28 | C27 | 108.6° | 109.5° |
| N36 | C28 | H34 | 109.7° | 109.5° |
| N36 | C28 | H35 | 109.7° | 109.5° |
| C28 | C27 | N34 | 111.5° | 109.5° |
| C28 | C27 | H32 | 109.0° | 109.5° |
| C28 | C27 | H33 | 109.0° | 109.5° |
| C27 | C28 | H34 | 109.7° | 109.5° |
| C27 | C28 | H35 | 109.7° | 109.5° |
| C27 | N34 | C17 | 119.1° | 120.0° |
| N34 | C27 | H32 | 109.0° | 109.4° |
| N34 | C27 | H33 | 109.0° | 109.5° |
| C27 | N34 | H40 | 120.5° | 120.0° |
| N34 | C17 | O37 | 124.9° | 120.0° |
| N34 | C17 | C10 | 114.0° | 120.0° |
| C17 | N34 | H40 | 120.4° | 120.0° |
| O37 | C17 | C10 | 121.1° | 120.0° |
| C17 | C10 | C15 | 120.1° | 120.5° |
| C17 | C10 | C2 | 119.4° | 120.5° |
| C26 | N33 | C15 | 113.3° | 120.0° |
| N33 | C26 | C24 | 106.8° | 109.5° |
| N33 | C26 | H30 | 110.1° | 109.5° |
| N33 | C26 | H31 | 110.1° | 109.5° |
| C26 | N33 | H39 | 108.5° | 120.0° |
| N33 | C15 | C10 | 116.3° | 119.7° |
| N33 | C15 | N29 | 121.9° | 119.8° |
| C15 | N33 | H39 | 108.5° | 120.0° |
| C26 | C24 | H23 | 109.5° | 109.5° |
| C26 | C24 | H24 | 109.5° | 109.5° |
| C26 | C24 | H25 | 109.4° | 109.4° |
| C24 | C26 | H30 | 110.1° | 109.4° |
| C24 | C26 | H31 | 110.1° | 109.5° |
| C15 | C10 | C2 | 120.6° | 119.0° |
| C10 | C15 | N29 | 121.8° | 120.5° |
| C10 | C2 | C5 | 117.6° | 118.5° |
| C10 | C2 | H2 | 121.2° | 120.8° |
| C15 | N29 | C14 | 117.7° | 121.7° |
| C2 | C5 | C14 | 119.3° | 119.4° |
| C5 | C2 | H2 | 121.2° | 120.8° |
| C2 | C5 | H5 | 120.4° | 120.3° |
| N29 | C14 | C5 | 123.0° | 121.0° |
| N29 | C14 | C9 | 117.8° | 119.5° |
| C5 | C14 | C9 | 119.2° | 119.5° |
| C14 | C5 | H5 | 120.3° | 120.3° |
| C14 | C9 | C1 | 122.8° | 120.1° |
| C14 | C9 | C7 | 119.3° | 120.1° |
| C1 | C9 | C7 | 117.8° | 119.8° |
| C9 | C1 | C4 | 121.7° | 120.1° |
| C9 | C1 | H1 | 119.2° | 120.0° |
| C9 | C7 | C13 | 121.0° | 120.0° |
| C9 | C7 | H7 | 119.5° | 120.0° |
| C1 | C4 | C12 | 119.7° | 120.0° |
| C4 | C1 | H1 | 119.1° | 119.9° |
| C1 | C4 | H4 | 120.1° | 120.0° |
| C7 | C13 | C12 | 121.0° | 120.0° |
| C7 | C13 | F39 | 119.6° | 120.0° |
| C13 | C7 | H7 | 119.5° | 120.0° |
| C4 | C12 | C13 | 118.8° | 120.2° |
| C4 | C12 | N32 | 124.0° | 119.9° |
| C12 | C4 | H4 | 120.1° | 120.0° |
| C12 | C13 | F39 | 119.4° | 120.0° |
| C13 | C12 | N32 | 117.2° | 119.9° |
| C12 | N32 | C18 | 126.9° | 120.0° |
| C12 | N32 | H38 | 116.6° | 120.0° |
| N32 | C18 | O38 | 126.2° | 120.0° |
| N32 | C18 | N35 | 110.8° | 120.0° |
| C18 | N32 | H38 | 116.6° | 120.0° |
| O38 | C18 | N35 | 123.0° | 120.0° |
| C18 | N35 | C25 | 119.7° | 120.0° |
| C18 | N35 | H41 | 120.2° | 120.0° |
| N35 | C25 | C11 | 109.7° | 109.4° |
| N35 | C25 | H26 | 109.4° | 109.5° |
| N35 | C25 | H27 | 109.4° | 109.5° |
| C25 | N35 | H41 | 120.1° | 120.0° |
| C25 | C11 | C3 | 119.0° | 120.4° |
| C25 | C11 | C8 | 121.3° | 120.3° |
| C11 | C25 | H26 | 109.4° | 109.5° |
| C11 | C25 | H27 | 109.4° | 109.4° |
| C3 | C11 | C8 | 119.6° | 119.3° |
| C11 | C3 | C6 | 119.7° | 118.5° |
| C11 | C3 | H3 | 120.2° | 120.7° |
| C11 | C8 | N30 | 119.5° | 120.8° |
| C11 | C8 | H8 | 120.2° | 119.6° |
| C3 | C6 | C16 | 118.8° | 119.1° |
| C6 | C3 | H3 | 120.2° | 120.7° |
| C3 | C6 | H6 | 120.6° | 120.4° |
| C8 | N30 | C16 | 122.1° | 121.6° |
| C8 | N30 | C31 | 118.9° | 119.2° |
| N30 | C8 | H8 | 120.2° | 119.6° |
| C6 | C16 | N30 | 120.3° | 120.6° |
| C6 | C16 | N31 | 119.8° | 119.7° |
| C16 | C6 | H6 | 120.6° | 120.5° |
| C16 | N30 | C31 | 119.0° | 119.2° |
| N30 | C16 | N31 | 119.9° | 119.7° |
| N30 | C31 | C32 | 110.5° | 110.6° |
| N30 | C31 | O34 | 112.0° | 110.6° |
| N30 | C31 | H22 | 109.0° | 110.7° |
| C16 | N31 | H36 | 120.0° | 120.0° |
| C16 | N31 | H37 | 120.0° | 120.0° |
| O32 | C32 | C31 | 107.7° | 110.9° |
| O32 | C32 | C33 | 107.1° | 110.9° |
| O32 | C32 | H20 | 113.3° | 110.8° |
| C32 | O32 | H46 | 109.5° | 114.0° |
| C31 | C32 | C33 | 104.2° | 102.1° |
| C32 | C31 | O34 | 107.5° | 103.5° |
| C31 | C32 | H20 | 111.9° | 110.9° |
| C32 | C31 | H22 | 108.3° | 110.6° |
| C32 | C33 | O33 | 106.3° | 110.5° |
| C32 | C33 | C34 | 104.9° | 104.2° |
| C32 | C33 | H19 | 111.8° | 110.6° |
| C33 | C32 | H20 | 112.0° | 110.9° |
| C31 | O34 | C34 | 105.5° | 107.0° |
| O34 | C31 | H22 | 109.5° | 110.6° |
| O34 | C34 | C33 | 105.9° | 107.3° |
| O34 | C34 | C35 | 109.9° | 109.9° |
| O34 | C34 | H21 | 110.7° | 110.0° |
| O33 | C33 | C34 | 108.4° | 110.5° |
| O33 | C33 | H19 | 113.2° | 110.4° |
| C33 | O33 | H45 | 109.5° | 114.0° |
| C33 | C34 | C35 | 111.3° | 109.9° |
| C34 | C33 | H19 | 111.7° | 110.5° |
| C33 | C34 | H21 | 109.5° | 109.9° |
| C34 | C35 | O35 | 106.9° | 109.5° |
| C35 | C34 | H21 | 109.5° | 109.9° |
| C34 | C35 | H28 | 110.1° | 109.5° |
| C34 | C35 | H29 | 110.1° | 109.5° |
| C35 | O35 | P | 119.0° | 123.0° |
| O35 | C35 | H28 | 110.1° | 109.5° |
| O35 | C35 | H29 | 110.1° | 109.5° |
| O35 | P | O3P | 103.1° | 109.5° |
| O35 | P | O2P | 106.5° | 109.5° |
| O35 | P | O1P | 103.0° | 109.5° |
| O3P | P | O2P | 113.7° | 109.5° |
| O3P | P | O1P | 114.4° | 109.4° |
| O2P | P | O1P | 114.4° | 109.5° |
| P | O2P | H44 | 109.5° | 114.0° |
| P | O1P | H43 | 109.5° | 114.0° |
| H9 | C19 | H10 | 109.5° | 109.6° |
| H11 | C20 | H12 | 109.5° | 109.6° |
| H13 | C21 | H14 | 109.4° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H23 | C24 | H25 | 109.5° | 109.4° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.4° |
| H30 | C26 | H31 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.4° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H36 | N31 | H37 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C19 | C20 | H9 | 120.2° | 119.9° |
| C21 | C19 | C20 | H10 | 120.2° | 119.9° |
| C19 | C21 | C23 | H13 | 120.0° | 119.9° |
| C19 | C21 | C23 | H14 | 120.1° | 120.0° |
| C21 | C19 | C20 | C22 | 56.3° | 57.7° |
| C19 | C21 | C23 | N36 | 59.2° | 59.2° |
| C21 | C19 | H9 | H10 | 119.5° | 120.1° |
| C21 | C19 | C20 | H11 | 176.5° | 177.6° |
| C21 | C19 | C20 | H12 | 63.9° | 62.2° |
| C19 | C21 | H13 | H14 | 119.9° | 120.1° |
| C19 | C21 | C23 | H17 | 178.9° | 179.2° |
| C19 | C21 | C23 | H18 | 60.5° | 60.9° |
| C20 | C19 | C21 | C23 | 56.3° | 57.7° |
| C19 | C20 | C22 | H11 | 120.2° | 119.9° |
| C19 | C20 | C22 | H12 | 120.2° | 119.9° |
| C19 | C20 | C22 | N36 | 58.3° | 59.2° |
| C20 | C19 | H9 | H10 | 119.4° | 120.2° |
| C19 | C20 | H11 | H12 | 119.4° | 120.2° |
| C20 | C19 | C21 | H13 | 63.7° | 62.3° |
| C20 | C19 | C21 | H14 | 176.4° | 177.6° |
| C19 | C20 | C22 | H15 | 61.2° | 60.8° |
| C19 | C20 | C22 | H16 | 177.9° | 179.2° |
| C21 | C23 | N36 | H17 | 119.7° | 120.0° |
| C21 | C23 | N36 | H18 | 119.7° | 120.1° |
| C21 | C23 | N36 | C22 | 64.7° | 61.7° |
| C21 | C23 | N36 | C28 | 168.5° | 174.2° |
| C23 | C21 | C19 | H9 | 63.8° | 177.5° |
| C23 | C21 | C19 | H10 | 176.5° | 62.2° |
| C23 | C21 | H13 | H14 | 119.9° | 120.1° |
| C21 | C23 | H17 | H18 | 120.9° | 119.9° |
| C20 | C22 | N36 | C23 | 63.7° | 61.8° |
| C20 | C22 | N36 | H15 | 119.6° | 120.0° |
| C20 | C22 | N36 | H16 | 119.6° | 120.0° |
| C20 | C22 | N36 | C28 | 169.6° | 174.2° |
| C22 | C20 | C19 | H9 | 63.8° | 177.5° |
| C22 | C20 | C19 | H10 | 176.5° | 62.2° |
| C22 | C20 | H11 | H12 | 119.4° | 120.1° |
| C20 | C22 | H15 | H16 | 121.1° | 120.0° |
| C23 | N36 | C22 | C28 | 126.6° | 124.1° |
| C23 | N36 | C28 | C27 | 155.3° | 65.8° |
| N36 | C23 | C21 | H13 | 60.9° | 60.7° |
| N36 | C23 | C21 | H14 | 179.2° | 179.1° |
| C23 | N36 | C22 | H15 | 55.9° | 58.3° |
| C23 | N36 | C22 | H16 | 176.7° | 178.2° |
| N36 | C23 | H17 | H18 | 120.9° | 120.0° |
| C23 | N36 | C28 | H34 | 35.5° | 174.2° |
| C23 | N36 | C28 | H35 | 84.8° | 54.2° |
| C22 | N36 | C28 | C27 | 78.3° | 170.0° |
| N36 | C22 | C20 | H11 | 178.5° | 179.1° |
| N36 | C22 | C20 | H12 | 61.8° | 60.7° |
| N36 | C22 | H15 | H16 | 121.2° | 119.9° |
| C22 | N36 | C23 | H17 | 175.6° | 178.2° |
| C22 | N36 | C23 | H18 | 55.0° | 58.3° |
| C22 | N36 | C28 | H34 | 161.8° | 50.0° |
| C22 | N36 | C28 | H35 | 41.5° | 70.0° |
| N36 | C28 | C27 | H34 | 119.8° | 120.0° |
| N36 | C28 | C27 | H35 | 119.9° | 120.0° |
| N36 | C28 | C27 | N34 | 69.1° | 180.0° |
| C28 | N36 | C22 | H15 | 70.8° | 65.8° |
| C28 | N36 | C22 | H16 | 50.0° | 54.1° |
| C28 | N36 | C23 | H17 | 48.7° | 54.1° |
| C28 | N36 | C23 | H18 | 71.9° | 65.8° |
| N36 | C28 | C27 | H32 | 170.6° | 60.0° |
| N36 | C28 | C27 | H33 | 51.2° | 60.0° |
| N36 | C28 | H34 | H35 | 120.4° | 120.0° |
| C28 | C27 | N34 | H32 | 120.3° | 120.0° |
| C28 | C27 | N34 | H33 | 120.3° | 120.0° |
| C28 | C27 | N34 | C17 | 81.8° | 180.0° |
| C28 | C27 | H32 | H33 | 119.1° | 120.0° |
| C27 | C28 | H34 | H35 | 120.4° | 120.0° |
| C28 | C27 | N34 | H40 | 98.2° | 0.0° |
| C27 | N34 | C17 | H40 | 180.0° | 180.0° |
| C27 | N34 | C17 | O37 | 9.8° | 0.0° |
| C27 | N34 | C17 | C10 | 168.7° | 180.0° |
| N34 | C27 | H32 | H33 | 119.1° | 120.0° |
| N34 | C27 | C28 | H34 | 50.8° | 60.0° |
| N34 | C27 | C28 | H35 | 171.1° | 60.0° |
| N34 | C17 | O37 | C10 | 178.4° | 180.0° |
| N34 | C17 | C10 | C15 | 153.2° | 174.4° |
| N34 | C17 | C10 | C2 | 27.3° | 5.5° |
| C17 | N34 | C27 | H32 | 38.6° | 60.0° |
| C17 | N34 | C27 | H33 | 157.9° | 60.0° |
| O37 | C17 | C10 | C15 | 28.2° | 5.6° |
| O37 | C17 | C10 | C2 | 151.3° | 174.5° |
| O37 | C17 | N34 | H40 | 170.2° | 180.0° |
| C17 | C10 | C15 | N33 | 0.7° | 0.1° |
| C17 | C10 | C15 | C2 | 179.5° | 179.9° |
| C17 | C10 | C15 | N29 | 178.7° | 179.5° |
| C17 | C10 | C2 | C5 | 179.5° | 180.0° |
| C17 | C10 | C2 | H2 | 0.5° | 0.2° |
| C10 | C17 | N34 | H40 | 11.3° | 0.0° |
| C26 | N33 | C15 | H39 | 120.6° | 180.0° |
| N33 | C26 | C24 | H30 | 119.6° | 120.0° |
| N33 | C26 | C24 | H31 | 119.6° | 120.0° |
| C26 | N33 | C15 | C10 | 170.4° | 174.7° |
| C26 | N33 | C15 | N29 | 10.3° | 5.9° |
| N33 | C26 | C24 | H23 | 180.0° | 180.0° |
| N33 | C26 | C24 | H24 | 60.0° | 60.0° |
| N33 | C26 | C24 | H25 | 60.0° | 60.0° |
| N33 | C26 | H30 | H31 | 121.2° | 120.0° |
| C15 | N33 | C26 | C24 | 159.6° | 180.0° |
| N33 | C15 | C10 | N29 | 179.4° | 179.4° |
| N33 | C15 | C10 | C2 | 179.8° | 180.0° |
| N33 | C15 | N29 | C14 | 179.8° | 179.7° |
| C15 | N33 | C26 | H30 | 40.0° | 60.0° |
| C15 | N33 | C26 | H31 | 80.9° | 60.0° |
| C26 | C24 | H23 | H24 | 120.0° | 120.0° |
| C26 | C24 | H23 | H25 | 120.0° | 119.9° |
| C26 | C24 | H24 | H25 | 120.0° | 120.0° |
| C24 | C26 | H30 | H31 | 121.2° | 120.0° |
| C24 | C26 | N33 | H39 | 39.0° | 0.0° |
| C15 | C10 | C2 | C5 | 0.0° | 0.1° |
| C10 | C15 | N29 | C14 | 0.4° | 0.9° |
| C15 | C10 | C2 | H2 | 180.0° | 179.8° |
| C10 | C15 | N33 | H39 | 69.1° | 5.3° |
| C2 | C10 | C15 | N29 | 0.8° | 0.6° |
| C10 | C2 | C5 | H2 | 180.0° | 179.8° |
| C10 | C2 | C5 | C14 | 1.2° | 0.2° |
| C10 | C2 | C5 | H5 | 178.8° | 179.8° |
| C15 | N29 | C14 | C5 | 0.8° | 0.6° |
| C15 | N29 | C14 | C9 | 178.9° | 179.4° |
| N29 | C15 | N33 | H39 | 110.3° | 174.1° |
| C2 | C5 | C14 | N29 | 1.7° | 0.1° |
| C2 | C5 | C14 | H5 | 180.0° | 179.9° |
| C2 | C5 | C14 | C9 | 179.7° | 179.9° |
| N29 | C14 | C5 | C9 | 178.0° | 180.0° |
| N29 | C14 | C9 | C1 | 9.0° | 0.0° |
| N29 | C14 | C9 | C7 | 174.0° | 180.0° |
| N29 | C14 | C5 | H5 | 178.4° | 180.0° |
| C5 | C14 | C9 | C1 | 169.1° | 180.0° |
| C5 | C14 | C9 | C7 | 7.9° | 0.0° |
| C14 | C5 | C2 | H2 | 178.8° | 180.0° |
| C14 | C9 | C1 | C7 | 177.1° | 179.9° |
| C14 | C9 | C1 | C4 | 177.0° | 180.0° |
| C14 | C9 | C7 | C13 | 177.6° | 179.5° |
| C14 | C9 | C1 | H1 | 3.0° | 0.2° |
| C9 | C14 | C5 | H5 | 0.3° | 0.0° |
| C14 | C9 | C7 | H7 | 2.4° | 0.3° |
| C9 | C1 | C4 | H1 | 180.0° | 179.8° |
| C1 | C9 | C7 | C13 | 0.4° | 0.5° |
| C9 | C1 | C4 | C12 | 0.1° | 0.3° |
| C9 | C1 | C4 | H4 | 179.9° | 179.8° |
| C1 | C9 | C7 | H7 | 179.6° | 179.8° |
| C7 | C9 | C1 | C4 | 0.0° | 0.0° |
| C9 | C7 | C13 | H7 | 180.0° | 179.2° |
| C9 | C7 | C13 | C12 | 0.8° | 0.8° |
| C9 | C7 | C13 | F39 | 179.6° | 180.0° |
| C7 | C9 | C1 | H1 | 180.0° | 179.7° |
| C1 | C4 | C12 | H4 | 180.0° | 180.0° |
| C1 | C4 | C12 | C13 | 0.3° | 0.0° |
| C1 | C4 | C12 | N32 | 179.2° | 180.0° |
| C7 | C13 | C12 | C4 | 0.7° | 0.5° |
| C7 | C13 | C12 | F39 | 178.8° | 179.2° |
| C7 | C13 | C12 | N32 | 178.8° | 179.5° |
| C4 | C12 | C13 | N32 | 179.5° | 180.0° |
| C4 | C12 | C13 | F39 | 179.5° | 179.7° |
| C4 | C12 | N32 | C18 | 17.8° | 34.6° |
| C12 | C4 | C1 | H1 | 179.9° | 180.0° |
| C4 | C12 | N32 | H38 | 162.2° | 145.3° |
| C13 | C12 | N32 | C18 | 162.7° | 145.4° |
| C13 | C12 | C4 | H4 | 179.7° | 180.0° |
| C12 | C13 | C7 | H7 | 179.2° | 180.0° |
| C13 | C12 | N32 | H38 | 17.3° | 34.7° |
| F39 | C13 | C12 | N32 | 0.0° | 0.2° |
| F39 | C13 | C7 | H7 | 0.4° | 0.8° |
| C12 | N32 | C18 | H38 | 180.0° | 179.9° |
| C12 | N32 | C18 | O38 | 4.4° | 4.2° |
| C12 | N32 | C18 | N35 | 176.3° | 175.7° |
| N32 | C12 | C4 | H4 | 0.8° | 0.0° |
| N32 | C18 | O38 | N35 | 179.2° | 179.9° |
| N32 | C18 | N35 | C25 | 167.2° | 180.0° |
| N32 | C18 | N35 | H41 | 12.8° | 0.1° |
| O38 | C18 | N35 | C25 | 13.5° | 0.1° |
| O38 | C18 | N32 | H38 | 175.6° | 175.7° |
| O38 | C18 | N35 | H41 | 166.5° | 180.0° |
| C18 | N35 | C25 | H41 | 180.0° | 179.9° |
| C18 | N35 | C25 | C11 | 127.8° | 179.9° |
| C18 | N35 | C25 | H26 | 112.2° | 60.0° |
| C18 | N35 | C25 | H27 | 7.8° | 60.0° |
| N35 | C18 | N32 | H38 | 3.7° | 4.4° |
| N35 | C25 | C11 | H26 | 120.0° | 120.0° |
| N35 | C25 | C11 | H27 | 120.0° | 120.0° |
| N35 | C25 | C11 | C3 | 15.5° | 90.0° |
| N35 | C25 | C11 | C8 | 164.3° | 90.0° |
| N35 | C25 | H26 | H27 | 119.9° | 120.0° |
| C25 | C11 | C3 | C8 | 179.8° | 180.0° |
| C25 | C11 | C3 | C6 | 179.6° | 180.0° |
| C25 | C11 | C8 | N30 | 179.6° | 179.5° |
| C25 | C11 | C3 | H3 | 0.4° | 0.2° |
| C25 | C11 | C8 | H8 | 0.4° | 0.2° |
| C11 | C25 | H26 | H27 | 119.9° | 120.0° |
| C11 | C25 | N35 | H41 | 52.2° | 0.0° |
| C11 | C3 | C6 | H3 | 180.0° | 179.8° |
| C3 | C11 | C8 | N30 | 0.6° | 0.5° |
| C11 | C3 | C6 | C16 | 0.1° | 0.2° |
| C11 | C3 | C6 | H6 | 179.9° | 179.7° |
| C3 | C11 | C8 | H8 | 179.4° | 179.7° |
| C3 | C11 | C25 | H26 | 104.5° | 150.0° |
| C3 | C11 | C25 | H27 | 135.5° | 30.0° |
| C8 | C11 | C3 | C6 | 0.6° | 0.0° |
| C11 | C8 | N30 | H8 | 180.0° | 179.2° |
| C11 | C8 | N30 | C16 | 0.1° | 0.8° |
| C11 | C8 | N30 | C31 | 177.4° | 179.9° |
| C8 | C11 | C3 | H3 | 179.4° | 179.8° |
| C8 | C11 | C25 | H26 | 75.7° | 30.0° |
| C8 | C11 | C25 | H27 | 44.2° | 150.1° |
| C3 | C6 | C16 | H6 | 180.0° | 180.0° |
| C3 | C6 | C16 | N30 | 0.8° | 0.1° |
| C3 | C6 | C16 | N31 | 179.8° | 180.0° |
| C8 | N30 | C16 | C6 | 0.9° | 0.6° |
| C8 | N30 | C16 | C31 | 177.3° | 179.1° |
| C8 | N30 | C16 | N31 | 179.7° | 179.5° |
| C8 | N30 | C31 | C32 | 34.1° | 95.0° |
| C8 | N30 | C31 | O34 | 153.9° | 19.1° |
| C8 | N30 | C31 | H22 | 84.8° | 142.0° |
| C6 | C16 | N30 | N31 | 179.4° | 179.9° |
| C6 | C16 | N30 | C31 | 178.1° | 179.7° |
| C16 | C6 | C3 | H3 | 179.9° | 180.0° |
| C6 | C16 | N31 | H36 | 179.4° | 0.0° |
| C6 | C16 | N31 | H37 | 0.6° | 180.0° |
| C16 | N30 | C31 | C32 | 148.6° | 84.1° |
| C16 | N30 | C31 | O34 | 28.8° | 161.8° |
| N30 | C16 | C6 | H6 | 179.2° | 179.9° |
| C16 | N30 | C8 | H8 | 179.9° | 179.9° |
| C16 | N30 | C31 | H22 | 92.6° | 38.9° |
| N30 | C16 | N31 | H36 | 0.0° | 180.0° |
| N30 | C16 | N31 | H37 | 180.0° | 0.1° |
| C31 | N30 | C16 | N31 | 2.5° | 0.4° |
| N30 | C31 | C32 | O32 | 106.1° | 86.2° |
| N30 | C31 | C32 | O34 | 122.5° | 118.5° |
| N30 | C31 | C32 | H22 | 119.3° | 123.0° |
| N30 | C31 | C32 | C33 | 140.3° | 155.6° |
| N30 | C31 | O34 | H22 | 121.0° | 123.0° |
| N30 | C31 | O34 | C34 | 154.6° | 158.6° |
| C31 | N30 | C8 | H8 | 2.6° | 0.8° |
| N30 | C31 | C32 | H20 | 19.0° | 37.3° |
| N31 | C16 | C6 | H6 | 0.2° | 0.0° |
| C16 | N31 | H36 | H37 | 180.0° | 180.0° |
| O32 | C32 | C31 | C33 | 113.5° | 118.2° |
| O32 | C32 | C31 | H20 | 125.1° | 123.6° |
| O32 | C32 | C33 | H20 | 124.8° | 123.5° |
| O32 | C32 | C31 | O34 | 131.4° | 155.2° |
| O32 | C32 | C33 | O33 | 4.0° | 20.4° |
| O32 | C32 | C33 | C34 | 110.7° | 139.1° |
| O32 | C32 | C33 | H19 | 128.0° | 102.2° |
| O32 | C32 | C31 | H22 | 13.2° | 36.8° |
| C31 | C32 | C33 | H20 | 121.2° | 118.2° |
| C32 | C31 | O34 | H22 | 117.5° | 118.5° |
| C32 | C31 | O34 | C34 | 33.1° | 40.1° |
| C31 | C32 | C33 | O33 | 118.0° | 97.8° |
| C31 | C32 | C33 | C34 | 3.2° | 20.9° |
| C31 | C32 | C33 | H19 | 118.0° | 139.6° |
| C31 | C32 | O32 | H46 | 180.0° | 180.0° |
| C33 | C32 | C31 | O34 | 17.9° | 37.0° |
| C32 | C33 | C34 | O34 | 23.1° | 2.0° |
| C32 | C33 | O33 | C34 | 112.4° | 114.8° |
| C32 | C33 | O33 | H19 | 123.1° | 122.7° |
| C32 | C33 | C34 | H19 | 121.3° | 118.8° |
| C32 | C33 | C34 | C35 | 142.5° | 121.4° |
| C32 | C33 | C34 | H21 | 96.3° | 117.5° |
| C33 | C32 | C31 | H22 | 100.4° | 81.4° |
| C32 | C33 | O33 | H45 | 180.0° | 65.2° |
| C33 | C32 | O32 | H46 | 68.4° | 67.3° |
| C31 | O34 | C34 | C33 | 34.8° | 26.5° |
| C31 | O34 | C34 | C35 | 155.2° | 145.9° |
| O34 | C31 | C32 | H20 | 103.4° | 81.2° |
| C31 | O34 | C34 | H21 | 83.7° | 93.0° |
| O34 | C34 | C33 | O33 | 136.4° | 120.7° |
| O34 | C34 | C33 | C35 | 119.4° | 119.4° |
| O34 | C34 | C33 | H21 | 119.4° | 119.5° |
| O34 | C34 | C35 | H21 | 121.8° | 121.1° |
| O34 | C34 | C35 | O35 | 144.5° | 67.2° |
| O34 | C34 | C33 | H19 | 98.2° | 116.8° |
| C34 | O34 | C31 | H22 | 84.4° | 78.4° |
| O34 | C34 | C35 | H28 | 24.9° | 172.8° |
| O34 | C34 | C35 | H29 | 95.9° | 52.8° |
| O33 | C33 | C34 | H19 | 125.4° | 122.5° |
| O33 | C33 | C34 | C35 | 104.2° | 119.9° |
| O33 | C33 | C32 | H20 | 120.8° | 144.0° |
| O33 | C33 | C34 | H21 | 17.0° | 1.2° |
| C33 | C34 | C35 | H21 | 121.2° | 121.1° |
| C33 | C34 | C35 | O35 | 27.5° | 175.0° |
| C34 | C33 | C32 | H20 | 124.5° | 97.4° |
| C33 | C34 | C35 | H28 | 92.1° | 55.0° |
| C33 | C34 | C35 | H29 | 147.1° | 65.0° |
| C34 | C33 | O33 | H45 | 67.6° | 180.0° |
| C34 | C35 | O35 | H28 | 119.6° | 120.0° |
| C34 | C35 | O35 | H29 | 119.6° | 120.1° |
| C34 | C35 | O35 | P | 155.8° | 180.0° |
| C35 | C34 | C33 | H19 | 21.2° | 2.6° |
| C34 | C35 | H28 | H29 | 121.2° | 120.0° |
| C35 | O35 | P | O3P | 130.6° | 55.0° |
| C35 | O35 | P | O2P | 10.6° | 175.0° |
| C35 | O35 | P | O1P | 110.1° | 65.0° |
| O35 | C35 | C34 | H21 | 93.7° | 53.9° |
| O35 | C35 | H28 | H29 | 121.2° | 120.0° |
| O35 | P | O3P | O2P | 114.9° | 120.0° |
| O35 | P | O3P | O1P | 111.1° | 120.0° |
| O35 | P | O2P | O1P | 113.1° | 120.0° |
| P | O35 | C35 | H28 | 84.6° | 60.0° |
| P | O35 | C35 | H29 | 36.2° | 60.0° |
| O35 | P | O1P | H43 | 111.2° | 60.0° |
| O35 | P | O2P | H44 | 112.9° | 180.0° |
| O3P | P | O2P | O1P | 134.0° | 120.0° |
| O3P | P | O1P | H43 | 0.0° | 180.0° |
| O3P | P | O2P | H44 | 0.0° | 60.0° |
| O2P | P | O1P | H43 | 133.7° | 60.0° |
| O1P | P | O2P | H44 | 134.0° | 60.0° |
| H1 | C1 | C4 | H4 | 0.1° | 0.0° |
| H2 | C2 | C5 | H5 | 1.2° | 0.1° |
| H3 | C3 | C6 | H6 | 0.1° | 0.0° |
| H9 | C19 | C20 | H11 | 56.4° | 62.6° |
| H9 | C19 | C20 | H12 | 176.0° | 57.6° |
| H9 | C19 | C21 | H13 | 176.1° | 57.6° |
| H9 | C19 | C21 | H14 | 56.3° | 62.5° |
| H10 | C19 | C20 | H11 | 63.3° | 57.7° |
| H10 | C19 | C20 | H12 | 56.3° | 177.9° |
| H10 | C19 | C21 | H13 | 56.5° | 177.8° |
| H10 | C19 | C21 | H14 | 63.4° | 57.7° |
| H11 | C20 | C22 | H15 | 58.9° | 59.1° |
| H11 | C20 | C22 | H16 | 61.9° | 60.9° |
| H12 | C20 | C22 | H15 | 178.6° | 179.3° |
| H12 | C20 | C22 | H16 | 57.8° | 59.3° |
| H13 | C21 | C23 | H17 | 58.8° | 59.3° |
| H13 | C21 | C23 | H18 | 179.4° | 179.2° |
| H14 | C21 | C23 | H17 | 61.1° | 60.8° |
| H14 | C21 | C23 | H18 | 59.6° | 59.1° |
| H19 | C33 | C32 | H20 | 3.3° | 21.4° |
| H19 | C33 | C34 | H21 | 142.4° | 123.7° |
| H19 | C33 | O33 | H45 | 56.9° | 57.4° |
| H20 | C32 | C31 | H22 | 138.3° | 160.3° |
| H20 | C32 | O32 | H46 | 55.6° | 56.4° |
| H21 | C34 | C35 | H28 | 146.7° | 66.1° |
| H21 | C34 | C35 | H29 | 25.9° | 174.0° |
| H23 | C24 | H24 | H25 | 120.0° | 120.0° |
| H23 | C24 | C26 | H30 | 60.4° | 60.1° |
| H23 | C24 | C26 | H31 | 60.4° | 59.9° |
| H24 | C24 | C26 | H30 | 179.6° | 60.0° |
| H24 | C24 | C26 | H31 | 59.6° | 180.0° |
| H25 | C24 | C26 | H30 | 59.6° | 180.0° |
| H25 | C24 | C26 | H31 | 179.6° | 60.0° |
| H26 | C25 | N35 | H41 | 67.8° | 120.0° |
| H27 | C25 | N35 | H41 | 172.3° | 119.9° |
| H30 | C26 | N33 | H39 | 80.6° | 120.0° |
| H31 | C26 | N33 | H39 | 158.6° | 120.0° |
| H32 | C27 | C28 | H34 | 69.6° | 60.0° |
| H32 | C27 | C28 | H35 | 50.7° | 180.0° |
| H32 | C27 | N34 | H40 | 141.4° | 120.0° |
| H33 | C27 | C28 | H34 | 171.1° | 180.0° |
| H33 | C27 | C28 | H35 | 68.6° | 60.0° |
| H33 | C27 | N34 | H40 | 22.1° | 120.0° |
