0K9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C28 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C31 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C22 | N23 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C21 | sing | 1.51Å | 1.54Å | |
| N23 | C16 | sing | 1.33Å | 1.35Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | O17 | sing | 1.36Å | 1.36Å | |
| C16 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| O17 | C18 | sing | 1.42Å | 1.44Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| C26 | C18 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C25 | C24 | sing | 1.54Å | 1.54Å | |
| C18 | C24 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | C19 | sing | 1.53Å | 1.55Å | |
| C14 | N4 | sing | 1.47Å | 1.49Å | |
| N4 | C3 | sing | 1.47Å | 1.49Å | |
| O5 | C2 | sing | 1.43Å | 1.42Å | |
| O34 | C33 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C7 | sing | 1.53Å | 1.55Å | |
| C1 | N6 | sing | 1.46Å | 1.48Å | |
| C33 | N6 | sing | 1.35Å | 1.34Å | |
| C33 | C35 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C42 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | O36 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| O36 | C37 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C32 | sing | 1.48Å | 1.40Å | |
| C32 | N38 | doub | 1.30Å | 1.34Å | Aromatic |
| C32 | S41 | sing | 1.76Å | 1.71Å | Aromatic |
| N38 | C39 | sing | 1.31Å | 1.35Å | Aromatic |
| S41 | C40 | sing | 1.76Å | 1.69Å | Aromatic |
| C39 | C40 | doub | 1.34Å | 1.34Å | Aromatic |
| C24 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 1.01Å | 1.00Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| O5 | H28 | sing | 0.97Å | 0.95Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.08Å | 1.08Å | |
| C13 | H41 | sing | 1.08Å | 1.08Å | |
| C12 | H42 | sing | 1.08Å | 1.08Å | |
| C11 | H43 | sing | 1.08Å | 1.08Å | |
| C39 | H44 | sing | 1.08Å | 1.08Å | |
| C40 | H45 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C28 | C29 | 107.3° | 109.4° |
| C30 | C28 | C31 | 109.4° | 109.5° |
| C30 | C28 | C27 | 111.7° | 109.5° |
| C28 | C30 | H12 | 109.5° | 109.5° |
| C28 | C30 | H13 | 109.5° | 109.5° |
| C28 | C30 | H14 | 109.4° | 109.4° |
| C29 | C28 | C31 | 107.8° | 109.5° |
| C29 | C28 | C27 | 109.4° | 109.5° |
| C28 | C29 | H18 | 109.5° | 109.5° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.5° | 109.5° |
| C31 | C28 | C27 | 111.1° | 109.5° |
| C28 | C31 | H15 | 109.5° | 109.5° |
| C28 | C31 | H16 | 109.5° | 109.5° |
| C28 | C31 | H17 | 109.5° | 109.5° |
| C28 | C27 | C21 | 111.8° | 109.5° |
| C28 | C27 | H10 | 108.9° | 109.5° |
| C28 | C27 | H11 | 108.9° | 109.5° |
| N23 | C22 | C21 | 121.0° | 120.7° |
| C22 | N23 | C16 | 121.6° | 122.0° |
| N23 | C22 | H9 | 119.5° | 119.6° |
| C22 | C21 | C27 | 119.2° | 120.4° |
| C22 | C21 | C20 | 119.3° | 119.1° |
| C21 | C22 | H9 | 119.5° | 119.6° |
| C27 | C21 | C20 | 121.4° | 120.5° |
| C21 | C27 | H10 | 108.9° | 109.5° |
| C21 | C27 | H11 | 108.9° | 109.5° |
| N23 | C16 | O17 | 116.5° | 118.0° |
| N23 | C16 | C15 | 120.6° | 120.2° |
| C21 | C20 | C15 | 119.1° | 118.7° |
| C21 | C20 | H21 | 120.5° | 120.6° |
| O17 | C16 | C15 | 122.9° | 121.8° |
| C16 | O17 | C18 | 115.6° | 117.6° |
| C16 | C15 | C20 | 118.3° | 119.2° |
| C16 | C15 | C14 | 121.4° | 122.3° |
| C20 | C15 | C14 | 120.3° | 118.6° |
| C15 | C20 | H21 | 120.4° | 120.7° |
| O17 | C18 | C26 | 114.9° | 114.1° |
| O17 | C18 | C24 | 111.8° | 113.9° |
| O17 | C18 | C19 | 112.8° | 112.1° |
| C25 | C26 | C18 | 89.5° | 87.0° |
| C26 | C25 | C24 | 90.1° | 87.2° |
| C26 | C25 | H3 | 114.1° | 113.6° |
| C26 | C25 | H4 | 114.1° | 113.7° |
| C25 | C26 | H5 | 114.2° | 113.7° |
| C25 | C26 | H6 | 114.2° | 113.6° |
| C26 | C18 | C24 | 90.3° | 87.5° |
| C26 | C18 | C19 | 112.7° | 113.6° |
| C18 | C26 | H5 | 114.2° | 113.6° |
| C18 | C26 | H6 | 114.2° | 113.7° |
| C15 | C14 | C19 | 110.4° | 110.0° |
| C15 | C14 | N4 | 112.1° | 109.4° |
| C15 | C14 | H22 | 107.7° | 109.3° |
| C25 | C24 | C18 | 89.7° | 87.0° |
| C25 | C24 | H1 | 114.2° | 113.6° |
| C25 | C24 | H2 | 114.2° | 113.6° |
| C24 | C25 | H3 | 114.1° | 113.6° |
| C24 | C25 | H4 | 114.1° | 113.6° |
| C24 | C18 | C19 | 112.5° | 113.6° |
| C18 | C24 | H1 | 114.2° | 113.7° |
| C18 | C24 | H2 | 114.1° | 113.6° |
| C18 | C19 | C14 | 108.9° | 108.1° |
| C18 | C19 | H7 | 109.6° | 109.7° |
| C18 | C19 | H8 | 109.6° | 109.7° |
| C19 | C14 | N4 | 110.2° | 109.4° |
| C14 | C19 | H7 | 109.6° | 109.7° |
| C14 | C19 | H8 | 109.6° | 109.8° |
| C19 | C14 | H22 | 107.8° | 109.4° |
| C14 | N4 | C3 | 114.2° | 111.0° |
| N4 | C14 | H22 | 108.5° | 109.3° |
| C14 | N4 | H23 | 108.3° | 111.0° |
| N4 | C3 | C2 | 110.1° | 109.5° |
| C3 | N4 | H23 | 108.3° | 111.0° |
| N4 | C3 | H25 | 109.3° | 109.5° |
| N4 | C3 | H26 | 109.3° | 109.5° |
| O5 | C2 | C3 | 109.2° | 109.5° |
| O5 | C2 | C1 | 108.4° | 109.4° |
| O5 | C2 | H27 | 109.5° | 109.5° |
| C2 | O5 | H28 | 109.5° | 114.1° |
| O34 | C33 | N6 | 123.4° | 120.0° |
| O34 | C33 | C35 | 117.2° | 119.9° |
| C3 | C2 | C1 | 114.1° | 109.5° |
| C2 | C3 | H25 | 109.3° | 109.5° |
| C2 | C3 | H26 | 109.3° | 109.5° |
| C3 | C2 | H27 | 107.8° | 109.5° |
| C2 | C1 | C7 | 111.1° | 109.5° |
| C2 | C1 | N6 | 111.0° | 109.5° |
| C1 | C2 | H27 | 107.8° | 109.5° |
| C2 | C1 | H29 | 107.5° | 109.5° |
| C7 | C1 | N6 | 111.1° | 109.4° |
| C1 | C7 | C8 | 113.7° | 109.5° |
| C7 | C1 | H29 | 107.5° | 109.5° |
| C1 | C7 | H38 | 108.4° | 109.5° |
| C1 | C7 | H39 | 108.4° | 109.4° |
| C1 | N6 | C33 | 122.4° | 120.0° |
| N6 | C1 | H29 | 108.4° | 109.5° |
| C1 | N6 | H30 | 118.8° | 120.0° |
| N6 | C33 | C35 | 119.4° | 120.0° |
| C33 | N6 | H30 | 118.8° | 120.0° |
| C33 | C35 | C42 | 109.8° | 109.4° |
| C33 | C35 | O36 | 109.8° | 109.5° |
| C33 | C35 | H31 | 108.7° | 109.5° |
| C12 | C13 | C8 | 119.7° | 120.2° |
| C13 | C12 | C11 | 120.3° | 120.2° |
| C12 | C13 | H41 | 120.1° | 119.9° |
| C13 | C12 | H42 | 119.8° | 119.9° |
| C13 | C8 | C7 | 121.6° | 119.9° |
| C13 | C8 | C9 | 119.5° | 120.1° |
| C8 | C13 | H41 | 120.1° | 119.9° |
| C7 | C8 | C9 | 118.8° | 120.0° |
| C8 | C7 | H38 | 108.4° | 109.5° |
| C8 | C7 | H39 | 108.4° | 109.5° |
| C42 | C35 | O36 | 109.8° | 109.5° |
| C42 | C35 | H31 | 108.7° | 109.5° |
| C35 | C42 | H32 | 109.5° | 109.4° |
| C35 | C42 | H33 | 109.5° | 109.5° |
| C35 | C42 | H34 | 109.4° | 109.5° |
| C35 | O36 | C37 | 109.2° | 114.0° |
| O36 | C35 | H31 | 110.0° | 109.5° |
| C12 | C11 | C10 | 119.7° | 119.9° |
| C11 | C12 | H42 | 119.9° | 119.9° |
| C12 | C11 | H43 | 120.2° | 120.1° |
| C8 | C9 | C10 | 121.3° | 119.9° |
| C8 | C9 | H40 | 119.3° | 120.0° |
| O36 | C37 | H35 | 109.5° | 109.5° |
| O36 | C37 | H36 | 109.5° | 109.5° |
| O36 | C37 | H37 | 109.5° | 109.5° |
| C11 | C10 | C9 | 119.4° | 119.7° |
| C11 | C10 | C32 | 122.0° | 120.2° |
| C10 | C11 | H43 | 120.2° | 120.1° |
| C9 | C10 | C32 | 118.5° | 120.2° |
| C10 | C9 | H40 | 119.3° | 120.1° |
| C10 | C32 | N38 | 127.8° | 125.5° |
| C10 | C32 | S41 | 125.0° | 125.5° |
| N38 | C32 | S41 | 107.1° | 109.1° |
| C32 | N38 | C39 | 115.1° | 117.1° |
| C32 | S41 | C40 | 94.9° | 89.9° |
| N38 | C39 | C40 | 116.0° | 115.8° |
| N38 | C39 | H44 | 122.0° | 122.1° |
| S41 | C40 | C39 | 106.8° | 108.2° |
| S41 | C40 | H45 | 126.6° | 125.9° |
| C40 | C39 | H44 | 122.0° | 122.1° |
| C39 | C40 | H45 | 126.6° | 125.9° |
| H1 | C24 | H2 | 109.5° | 112.9° |
| H3 | C25 | H4 | 109.5° | 112.9° |
| H5 | C26 | H6 | 109.5° | 112.9° |
| H7 | C19 | H8 | 109.4° | 109.7° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H12 | C30 | H13 | 109.5° | 109.5° |
| H12 | C30 | H14 | 109.5° | 109.5° |
| H13 | C30 | H14 | 109.4° | 109.5° |
| H15 | C31 | H16 | 109.4° | 109.5° |
| H15 | C31 | H17 | 109.5° | 109.4° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.4° |
| H18 | C29 | H20 | 109.4° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H25 | C3 | H26 | 109.4° | 109.5° |
| H32 | C42 | H33 | 109.5° | 109.4° |
| H32 | C42 | H34 | 109.5° | 109.5° |
| H33 | C42 | H34 | 109.5° | 109.4° |
| H35 | C37 | H36 | 109.5° | 109.4° |
| H35 | C37 | H37 | 109.4° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.5° |
| H38 | C7 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C28 | C29 | C31 | 117.7° | 120.0° |
| C30 | C28 | C29 | C27 | 121.4° | 120.0° |
| C30 | C28 | C31 | C27 | 123.9° | 120.0° |
| C30 | C28 | C27 | C21 | 48.4° | 55.7° |
| C30 | C28 | C27 | H10 | 168.7° | 175.7° |
| C30 | C28 | C27 | H11 | 71.9° | 64.3° |
| C28 | C30 | H12 | H13 | 120.0° | 120.0° |
| C28 | C30 | H12 | H14 | 120.0° | 120.0° |
| C28 | C30 | H13 | H14 | 120.0° | 120.0° |
| C30 | C28 | C31 | H15 | 180.0° | 175.6° |
| C30 | C28 | C31 | H16 | 60.0° | 55.5° |
| C30 | C28 | C31 | H17 | 60.0° | 64.5° |
| C30 | C28 | C29 | H18 | 180.0° | 175.1° |
| C30 | C28 | C29 | H19 | 60.0° | 65.0° |
| C30 | C28 | C29 | H20 | 60.0° | 55.1° |
| C29 | C28 | C31 | C27 | 119.8° | 120.0° |
| C29 | C28 | C27 | C21 | 167.1° | 175.6° |
| C29 | C28 | C27 | H10 | 72.6° | 64.4° |
| C29 | C28 | C27 | H11 | 46.7° | 55.6° |
| C29 | C28 | C30 | H12 | 180.0° | 60.0° |
| C29 | C28 | C30 | H13 | 60.0° | 60.0° |
| C29 | C28 | C30 | H14 | 60.0° | 180.0° |
| C29 | C28 | C31 | H15 | 63.7° | 55.6° |
| C29 | C28 | C31 | H16 | 176.3° | 64.4° |
| C29 | C28 | C31 | H17 | 56.3° | 175.6° |
| C28 | C29 | H18 | H19 | 120.0° | 120.1° |
| C28 | C29 | H18 | H20 | 120.0° | 120.0° |
| C28 | C29 | H19 | H20 | 120.0° | 120.1° |
| C31 | C28 | C27 | C21 | 74.1° | 64.3° |
| C31 | C28 | C27 | H10 | 46.2° | 55.7° |
| C31 | C28 | C27 | H11 | 165.6° | 175.7° |
| C31 | C28 | C30 | H12 | 63.4° | 60.0° |
| C31 | C28 | C30 | H13 | 176.6° | 180.0° |
| C31 | C28 | C30 | H14 | 56.6° | 60.0° |
| C28 | C31 | H15 | H16 | 120.0° | 120.0° |
| C28 | C31 | H15 | H17 | 120.0° | 120.0° |
| C28 | C31 | H16 | H17 | 120.0° | 120.0° |
| C31 | C28 | C29 | H18 | 62.3° | 55.1° |
| C31 | C28 | C29 | H19 | 57.7° | 175.1° |
| C31 | C28 | C29 | H20 | 177.7° | 64.9° |
| C28 | C27 | C21 | C22 | 85.5° | 86.6° |
| C28 | C27 | C21 | H10 | 120.3° | 120.0° |
| C28 | C27 | C21 | H11 | 120.3° | 120.0° |
| C28 | C27 | C21 | C20 | 93.5° | 93.4° |
| C28 | C27 | H10 | H11 | 119.0° | 120.0° |
| C27 | C28 | C30 | H12 | 60.1° | 180.0° |
| C27 | C28 | C30 | H13 | 59.9° | 60.0° |
| C27 | C28 | C30 | H14 | 179.8° | 60.0° |
| C27 | C28 | C31 | H15 | 56.1° | 64.4° |
| C27 | C28 | C31 | H16 | 63.9° | 175.5° |
| C27 | C28 | C31 | H17 | 176.1° | 55.5° |
| C27 | C28 | C29 | H18 | 58.6° | 65.0° |
| C27 | C28 | C29 | H19 | 178.6° | 55.0° |
| C27 | C28 | C29 | H20 | 61.4° | 175.1° |
| N23 | C22 | C21 | H9 | 180.0° | 179.9° |
| N23 | C22 | C21 | C27 | 179.0° | 179.8° |
| N23 | C22 | C21 | C20 | 0.0° | 0.2° |
| C22 | N23 | C16 | O17 | 179.9° | 179.5° |
| C22 | N23 | C16 | C15 | 0.7° | 0.5° |
| C22 | C21 | C27 | C20 | 179.0° | 180.0° |
| C21 | C22 | N23 | C16 | 0.0° | 0.1° |
| C22 | C21 | C20 | C15 | 0.6° | 0.0° |
| C22 | C21 | C27 | H10 | 154.2° | 153.5° |
| C22 | C21 | C27 | H11 | 34.8° | 33.5° |
| C22 | C21 | C20 | H21 | 179.4° | 180.0° |
| C27 | C21 | C20 | C15 | 179.6° | 180.0° |
| C27 | C21 | C22 | H9 | 1.0° | 0.3° |
| C21 | C27 | H10 | H11 | 119.0° | 120.0° |
| C27 | C21 | C20 | H21 | 0.4° | 0.0° |
| N23 | C16 | O17 | C15 | 179.5° | 180.0° |
| N23 | C16 | C15 | C20 | 1.3° | 0.7° |
| N23 | C16 | O17 | C18 | 162.5° | 166.2° |
| N23 | C16 | C15 | C14 | 179.5° | 178.9° |
| C16 | N23 | C22 | H9 | 180.0° | 180.0° |
| C21 | C20 | C15 | C16 | 1.2° | 0.5° |
| C21 | C20 | C15 | H21 | 180.0° | 179.9° |
| C21 | C20 | C15 | C14 | 179.6° | 179.2° |
| C20 | C21 | C22 | H9 | 180.0° | 179.7° |
| C20 | C21 | C27 | H10 | 26.8° | 26.5° |
| C20 | C21 | C27 | H11 | 146.2° | 146.5° |
| O17 | C16 | C15 | C20 | 179.3° | 179.3° |
| C16 | O17 | C18 | C26 | 81.6° | 86.5° |
| O17 | C16 | C15 | C14 | 0.1° | 1.1° |
| C16 | O17 | C18 | C24 | 177.4° | 175.1° |
| C16 | O17 | C18 | C19 | 49.5° | 44.4° |
| C16 | C15 | C20 | C14 | 179.2° | 179.6° |
| C15 | C16 | O17 | C18 | 18.0° | 13.8° |
| C16 | C15 | C14 | C19 | 13.5° | 19.3° |
| C16 | C15 | C14 | N4 | 136.7° | 139.5° |
| C16 | C15 | C20 | H21 | 178.8° | 179.6° |
| C16 | C15 | C14 | H22 | 104.0° | 100.8° |
| C20 | C15 | C14 | C19 | 167.3° | 161.0° |
| C20 | C15 | C14 | N4 | 44.1° | 40.9° |
| C20 | C15 | C14 | H22 | 75.2° | 78.8° |
| O17 | C18 | C26 | C25 | 119.5° | 90.0° |
| O17 | C18 | C26 | C24 | 114.3° | 115.1° |
| O17 | C18 | C26 | C19 | 131.0° | 130.2° |
| O17 | C18 | C24 | C25 | 122.2° | 90.2° |
| O17 | C18 | C24 | C19 | 128.1° | 129.9° |
| O17 | C18 | C19 | C14 | 61.6° | 60.9° |
| O17 | C18 | C24 | H1 | 5.6° | 24.3° |
| O17 | C18 | C24 | H2 | 121.3° | 155.2° |
| O17 | C18 | C26 | H5 | 124.0° | 155.5° |
| O17 | C18 | C26 | H6 | 3.0° | 24.5° |
| O17 | C18 | C19 | H7 | 58.3° | 58.8° |
| O17 | C18 | C19 | H8 | 178.5° | 179.4° |
| C25 | C26 | C18 | H5 | 116.5° | 114.5° |
| C25 | C26 | C18 | H6 | 116.5° | 114.5° |
| C26 | C25 | C24 | H3 | 116.6° | 114.5° |
| C26 | C25 | C24 | H4 | 116.6° | 114.6° |
| C25 | C26 | C18 | C24 | 5.1° | 25.1° |
| C25 | C26 | C18 | C19 | 109.5° | 139.8° |
| C26 | C25 | C24 | H1 | 111.4° | 139.6° |
| C26 | C25 | C24 | H2 | 121.6° | 89.5° |
| C26 | C25 | H3 | H4 | 129.2° | 131.2° |
| C25 | C26 | H5 | H6 | 129.5° | 131.3° |
| C26 | C18 | C24 | C19 | 114.8° | 114.8° |
| C26 | C18 | C19 | C14 | 70.5° | 70.3° |
| C26 | C18 | C24 | H1 | 111.4° | 139.6° |
| C26 | C18 | C24 | H2 | 121.6° | 89.4° |
| C18 | C26 | C25 | H3 | 121.7° | 139.6° |
| C18 | C26 | C25 | H4 | 111.5° | 89.6° |
| C18 | C26 | H5 | H6 | 129.5° | 131.3° |
| C26 | C18 | C19 | H7 | 169.6° | 170.1° |
| C26 | C18 | C19 | H8 | 49.5° | 49.5° |
| C15 | C14 | C19 | C18 | 41.3° | 46.4° |
| C15 | C14 | C19 | N4 | 124.4° | 120.2° |
| C15 | C14 | C19 | H22 | 117.4° | 120.1° |
| C15 | C14 | N4 | H22 | 118.8° | 119.7° |
| C15 | C14 | N4 | C3 | 56.0° | 105.5° |
| C15 | C14 | C19 | H7 | 78.7° | 73.2° |
| C15 | C14 | C19 | H8 | 161.2° | 166.1° |
| C14 | C15 | C20 | H21 | 0.4° | 0.7° |
| C15 | C14 | N4 | H23 | 176.7° | 18.4° |
| C25 | C24 | C18 | H1 | 116.5° | 114.5° |
| C25 | C24 | C18 | H2 | 116.5° | 114.5° |
| C25 | C24 | C18 | C19 | 109.7° | 139.9° |
| C25 | C24 | H1 | H2 | 129.4° | 131.3° |
| C24 | C25 | H3 | H4 | 129.2° | 131.2° |
| C24 | C25 | C26 | H5 | 121.5° | 89.5° |
| C24 | C25 | C26 | H6 | 111.4° | 139.5° |
| C24 | C18 | C19 | C14 | 170.8° | 168.3° |
| C18 | C24 | H1 | H2 | 129.4° | 131.3° |
| C18 | C24 | C25 | H3 | 121.7° | 139.6° |
| C18 | C24 | C25 | H4 | 111.5° | 89.6° |
| C24 | C18 | C26 | H5 | 121.6° | 89.4° |
| C24 | C18 | C26 | H6 | 111.3° | 139.6° |
| C24 | C18 | C19 | H7 | 69.3° | 72.0° |
| C24 | C18 | C19 | H8 | 50.9° | 48.6° |
| C18 | C19 | C14 | H7 | 119.9° | 119.6° |
| C18 | C19 | C14 | H8 | 119.9° | 119.7° |
| C18 | C19 | C14 | N4 | 165.6° | 166.6° |
| C19 | C18 | C24 | H1 | 133.7° | 105.6° |
| C19 | C18 | C24 | H2 | 6.8° | 25.3° |
| C19 | C18 | C26 | H5 | 7.0° | 25.3° |
| C19 | C18 | C26 | H6 | 134.1° | 105.7° |
| C18 | C19 | H7 | H8 | 120.3° | 120.6° |
| C18 | C19 | C14 | H22 | 76.1° | 73.7° |
| C19 | C14 | N4 | H22 | 117.8° | 119.8° |
| C19 | C14 | N4 | C3 | 67.4° | 134.0° |
| C14 | C19 | H7 | H8 | 120.2° | 120.7° |
| C19 | C14 | N4 | H23 | 53.3° | 102.1° |
| C14 | N4 | C3 | H23 | 120.7° | 123.9° |
| C14 | N4 | C3 | C2 | 157.8° | 86.4° |
| N4 | C14 | C19 | H7 | 45.7° | 46.9° |
| N4 | C14 | C19 | H8 | 74.4° | 73.7° |
| C14 | N4 | C3 | H25 | 37.7° | 33.6° |
| C14 | N4 | C3 | H26 | 82.1° | 153.6° |
| N4 | C3 | C2 | O5 | 51.3° | 60.7° |
| N4 | C3 | C2 | H25 | 120.1° | 120.0° |
| N4 | C3 | C2 | H26 | 120.1° | 120.0° |
| N4 | C3 | C2 | C1 | 172.7° | 179.4° |
| C3 | N4 | C14 | H22 | 174.8° | 14.2° |
| N4 | C3 | H25 | H26 | 119.7° | 120.0° |
| N4 | C3 | C2 | H27 | 67.5° | 59.3° |
| O5 | C2 | C3 | C1 | 121.5° | 120.0° |
| O5 | C2 | C3 | H27 | 118.8° | 120.0° |
| O5 | C2 | C1 | H27 | 118.4° | 120.0° |
| O5 | C2 | C1 | C7 | 62.1° | 56.0° |
| O5 | C2 | C1 | N6 | 173.7° | 176.0° |
| O5 | C2 | C3 | H25 | 68.8° | 59.4° |
| O5 | C2 | C3 | H26 | 171.4° | 179.3° |
| O5 | C2 | C1 | H29 | 55.3° | 64.0° |
| O34 | C33 | N6 | C1 | 0.1° | 5.5° |
| O34 | C33 | N6 | C35 | 179.9° | 179.9° |
| O34 | C33 | C35 | C42 | 86.1° | 112.4° |
| O34 | C33 | C35 | O36 | 153.1° | 7.5° |
| O34 | C33 | N6 | H30 | 179.9° | 174.6° |
| O34 | C33 | C35 | H31 | 32.7° | 127.5° |
| C3 | C2 | C1 | H27 | 119.7° | 120.0° |
| C3 | C2 | C1 | C7 | 176.0° | 176.0° |
| C3 | C2 | C1 | N6 | 51.8° | 64.0° |
| C2 | C3 | N4 | H23 | 81.5° | 149.7° |
| C2 | C3 | H25 | H26 | 119.7° | 120.0° |
| C3 | C2 | O5 | H28 | 180.0° | 60.0° |
| C3 | C2 | C1 | H29 | 66.6° | 56.0° |
| C2 | C1 | C7 | N6 | 124.1° | 120.0° |
| C2 | C1 | C7 | H29 | 117.4° | 120.0° |
| C2 | C1 | N6 | H29 | 117.9° | 120.0° |
| C2 | C1 | N6 | C33 | 102.5° | 59.4° |
| C2 | C1 | C7 | C8 | 168.2° | 175.0° |
| C1 | C2 | C3 | H25 | 52.6° | 60.6° |
| C1 | C2 | C3 | H26 | 67.1° | 59.4° |
| C1 | C2 | O5 | H28 | 55.1° | 60.0° |
| C2 | C1 | N6 | H30 | 77.5° | 120.6° |
| C2 | C1 | C7 | H38 | 47.5° | 65.0° |
| C2 | C1 | C7 | H39 | 71.2° | 55.0° |
| C7 | C1 | N6 | H29 | 118.0° | 120.0° |
| C7 | C1 | N6 | C33 | 133.3° | 60.6° |
| C1 | C7 | C8 | C13 | 87.4° | 90.3° |
| C1 | C7 | C8 | H38 | 120.6° | 120.0° |
| C1 | C7 | C8 | H39 | 120.6° | 120.0° |
| C1 | C7 | C8 | C9 | 92.9° | 90.0° |
| C7 | C1 | C2 | H27 | 56.3° | 64.0° |
| C7 | C1 | N6 | H30 | 46.7° | 119.4° |
| C1 | C7 | H38 | H39 | 118.0° | 120.0° |
| C1 | N6 | C33 | H30 | 180.0° | 179.9° |
| C1 | N6 | C33 | C35 | 179.9° | 174.6° |
| N6 | C1 | C7 | C8 | 44.1° | 65.0° |
| N6 | C1 | C2 | H27 | 67.9° | 56.0° |
| N6 | C1 | C7 | H38 | 76.6° | 55.0° |
| N6 | C1 | C7 | H39 | 164.7° | 175.0° |
| N6 | C33 | C35 | C42 | 94.0° | 67.6° |
| N6 | C33 | C35 | O36 | 26.8° | 172.4° |
| C33 | N6 | C1 | H29 | 15.4° | 179.4° |
| N6 | C33 | C35 | H31 | 147.1° | 52.4° |
| C33 | C35 | C42 | O36 | 120.8° | 120.0° |
| C33 | C35 | C42 | H31 | 118.8° | 120.0° |
| C33 | C35 | O36 | H31 | 119.5° | 120.0° |
| C33 | C35 | O36 | C37 | 95.6° | 145.8° |
| C35 | C33 | N6 | H30 | 0.1° | 5.3° |
| C33 | C35 | C42 | H32 | 180.0° | 175.0° |
| C33 | C35 | C42 | H33 | 60.0° | 55.1° |
| C33 | C35 | C42 | H34 | 60.0° | 64.9° |
| C12 | C13 | C8 | H41 | 180.0° | 180.0° |
| C12 | C13 | C8 | C7 | 179.9° | 180.0° |
| C13 | C12 | C11 | H42 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 0.4° | 0.3° |
| C13 | C12 | C11 | C10 | 0.3° | 0.2° |
| C13 | C12 | C11 | H43 | 179.7° | 180.0° |
| C13 | C8 | C7 | C9 | 179.7° | 179.7° |
| C8 | C13 | C12 | C11 | 0.3° | 0.0° |
| C13 | C8 | C9 | C10 | 0.1° | 0.2° |
| C13 | C8 | C7 | H38 | 151.9° | 149.7° |
| C13 | C8 | C7 | H39 | 33.2° | 29.7° |
| C13 | C8 | C9 | H40 | 179.9° | 179.7° |
| C8 | C13 | C12 | H42 | 179.7° | 180.0° |
| C7 | C8 | C9 | C10 | 179.6° | 179.9° |
| C8 | C7 | C1 | H29 | 74.4° | 55.0° |
| C8 | C7 | H38 | H39 | 118.1° | 120.0° |
| C7 | C8 | C9 | H40 | 0.4° | 0.0° |
| C7 | C8 | C13 | H41 | 0.1° | 0.0° |
| C42 | C35 | O36 | H31 | 119.6° | 120.1° |
| C42 | C35 | O36 | C37 | 143.6° | 94.2° |
| C35 | C42 | H32 | H33 | 120.0° | 120.0° |
| C35 | C42 | H32 | H34 | 120.0° | 120.1° |
| C35 | C42 | H33 | H34 | 120.0° | 120.0° |
| O36 | C35 | C42 | H32 | 59.2° | 65.0° |
| O36 | C35 | C42 | H33 | 179.2° | 175.0° |
| O36 | C35 | C42 | H34 | 60.8° | 55.0° |
| C35 | O36 | C37 | H35 | 180.0° | 65.0° |
| C35 | O36 | C37 | H36 | 60.0° | 55.0° |
| C35 | O36 | C37 | H37 | 60.0° | 175.0° |
| C12 | C11 | C10 | H43 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.7° | 0.3° |
| C12 | C11 | C10 | C32 | 177.9° | 179.8° |
| C11 | C12 | C13 | H41 | 179.7° | 179.9° |
| C8 | C9 | C10 | C11 | 0.6° | 0.0° |
| C8 | C9 | C10 | H40 | 180.0° | 180.0° |
| C8 | C9 | C10 | C32 | 177.9° | 180.0° |
| C9 | C8 | C7 | H38 | 27.8° | 30.0° |
| C9 | C8 | C7 | H39 | 146.5° | 150.0° |
| C9 | C8 | C13 | H41 | 179.6° | 179.7° |
| C37 | O36 | C35 | H31 | 24.0° | 25.8° |
| O36 | C37 | H35 | H36 | 120.0° | 120.0° |
| O36 | C37 | H35 | H37 | 120.0° | 120.0° |
| O36 | C37 | H36 | H37 | 120.0° | 120.0° |
| C11 | C10 | C9 | C32 | 177.2° | 179.9° |
| C11 | C10 | C32 | N38 | 32.0° | 0.1° |
| C11 | C10 | C32 | S41 | 152.5° | 179.7° |
| C11 | C10 | C9 | H40 | 179.4° | 180.0° |
| C10 | C11 | C12 | H42 | 179.7° | 179.7° |
| C9 | C10 | C32 | N38 | 145.2° | 180.0° |
| C9 | C10 | C32 | S41 | 30.4° | 0.2° |
| C9 | C10 | C11 | H43 | 179.2° | 180.0° |
| C10 | C32 | N38 | S41 | 176.2° | 179.8° |
| C10 | C32 | N38 | C39 | 177.8° | 180.0° |
| C10 | C32 | S41 | C40 | 177.7° | 179.9° |
| C32 | C10 | C9 | H40 | 2.1° | 0.1° |
| C32 | C10 | C11 | H43 | 2.1° | 0.0° |
| N38 | C32 | S41 | C40 | 1.4° | 0.2° |
| C32 | N38 | C39 | C40 | 1.1° | 0.0° |
| C32 | N38 | C39 | H44 | 178.9° | 180.0° |
| S41 | C32 | N38 | C39 | 1.6° | 0.2° |
| C32 | S41 | C40 | C39 | 0.9° | 0.2° |
| C32 | S41 | C40 | H45 | 179.1° | 179.9° |
| N38 | C39 | C40 | S41 | 0.1° | 0.2° |
| N38 | C39 | C40 | H44 | 180.0° | 180.0° |
| N38 | C39 | C40 | H45 | 179.9° | 180.0° |
| S41 | C40 | C39 | H45 | 180.0° | 179.8° |
| S41 | C40 | C39 | H44 | 179.9° | 179.8° |
| H1 | C24 | C25 | H3 | 5.2° | 105.9° |
| H1 | C24 | C25 | H4 | 132.0° | 25.0° |
| H2 | C24 | C25 | H3 | 121.8° | 25.0° |
| H2 | C24 | C25 | H4 | 5.0° | 155.9° |
| H3 | C25 | C26 | H5 | 121.9° | 25.1° |
| H3 | C25 | C26 | H6 | 5.2° | 105.9° |
| H4 | C25 | C26 | H5 | 5.0° | 155.9° |
| H4 | C25 | C26 | H6 | 132.0° | 25.0° |
| H7 | C19 | C14 | H22 | 163.9° | 166.7° |
| H8 | C19 | C14 | H22 | 43.8° | 46.0° |
| H12 | C30 | H13 | H14 | 120.0° | 120.0° |
| H15 | C31 | H16 | H17 | 120.0° | 120.0° |
| H18 | C29 | H19 | H20 | 119.9° | 119.9° |
| H22 | C14 | N4 | H23 | 64.5° | 138.1° |
| H23 | N4 | C3 | H25 | 158.4° | 90.3° |
| H23 | N4 | C3 | H26 | 38.6° | 29.7° |
| H25 | C3 | C2 | H27 | 172.4° | 179.4° |
| H26 | C3 | C2 | H27 | 52.6° | 60.7° |
| H27 | C2 | O5 | H28 | 62.2° | 180.0° |
| H27 | C2 | C1 | H29 | 173.7° | 176.0° |
| H29 | C1 | N6 | H30 | 164.6° | 0.5° |
| H29 | C1 | C7 | H38 | 164.9° | 175.0° |
| H29 | C1 | C7 | H39 | 46.2° | 65.0° |
| H31 | C35 | C42 | H32 | 61.2° | 55.0° |
| H31 | C35 | C42 | H33 | 58.8° | 64.9° |
| H31 | C35 | C42 | H34 | 178.8° | 175.1° |
| H32 | C42 | H33 | H34 | 120.0° | 120.0° |
| H35 | C37 | H36 | H37 | 119.9° | 120.0° |
| H41 | C13 | C12 | H42 | 0.3° | 0.0° |
| H42 | C12 | C11 | H43 | 0.3° | 0.0° |
| H44 | C39 | C40 | H45 | 0.1° | 0.1° |
