686
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | N4 | sing | 1.47Å | 1.45Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C25 | N4 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| N4 | C24 | sing | 1.38Å | 1.42Å | |
| C33 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | N5 | sing | 1.47Å | 1.47Å | |
| O2 | C13 | doub | 1.21Å | 1.22Å | |
| N5 | C26 | sing | 1.47Å | 1.47Å | |
| N5 | C29 | sing | 1.40Å | 1.43Å | |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | N3 | doub | 1.33Å | 1.38Å | Aromatic |
| C24 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| N3 | C23 | sing | 1.32Å | 1.36Å | Aromatic |
| O1 | C13 | sing | 1.34Å | 1.32Å | |
| C34 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C23 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C | sing | 1.47Å | 1.51Å | |
| C12 | N1 | sing | 1.47Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N1 | C14 | sing | 1.35Å | 1.34Å | |
| O | C | doub | 1.22Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.32Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C14 | N2 | sing | 1.35Å | 1.33Å | |
| C14 | O7 | doub | 1.22Å | 1.24Å | |
| N2 | C15 | sing | 1.47Å | 1.43Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| N | C8 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C19 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C5 | BR | sing | 1.89Å | 1.90Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| O3 | C18 | doub | 1.21Å | 1.34Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | O6 | doub | 1.21Å | 1.26Å | |
| C19 | O5 | sing | 1.34Å | 1.31Å | |
| C18 | O4 | sing | 1.34Å | 1.25Å | |
| C31 | H2 | sing | 1.08Å | 1.08Å | |
| C30 | H3 | sing | 1.08Å | 1.08Å | |
| C33 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| O1 | H32 | sing | 0.97Å | 0.95Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| N2 | H34 | sing | 0.97Å | 1.00Å | |
| C15 | H35 | sing | 1.09Å | 1.10Å | |
| O5 | H36 | sing | 0.97Å | 0.95Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| O4 | H41 | sing | 0.97Å | 0.95Å | |
| C34 | N6 | sing | 1.40Å | 47.95Å | |
| N6 | C36 | sing | 1.47Å | 0.00Å | |
| N6 | C37 | sing | 1.47Å | 0.00Å | |
| C36 | C38 | sing | 1.53Å | 0.00Å | |
| C37 | C39 | sing | 1.53Å | 0.00Å | |
| C39 | N7 | sing | 1.47Å | 0.00Å | |
| N7 | C38 | sing | 1.47Å | 0.00Å | |
| N7 | C41 | sing | 1.35Å | 0.00Å | |
| C41 | O8 | doub | 1.22Å | 0.00Å | |
| C41 | C43 | sing | 1.48Å | 0.00Å | |
| C43 | C35 | sing | 1.39Å | 0.00Å | Aromatic |
| C43 | C40 | doub | 1.40Å | 0.00Å | Aromatic |
| C40 | C42 | sing | 1.38Å | 0.00Å | Aromatic |
| C35 | C44 | doub | 1.39Å | 0.00Å | Aromatic |
| C44 | C45 | sing | 1.41Å | 0.00Å | Aromatic |
| C45 | C42 | doub | 1.39Å | 0.00Å | Aromatic |
| C45 | C46 | sing | 1.48Å | 0.00Å | |
| C46 | O9 | doub | 1.21Å | 0.00Å | |
| C46 | O10 | sing | 1.35Å | 0.00Å | |
| C44 | C47 | sing | 1.47Å | 0.00Å | |
| C47 | C48 | doub | 1.41Å | 0.00Å | |
| C47 | C49 | sing | 1.47Å | 0.00Å | |
| C49 | C50 | doub | 1.41Å | 0.00Å | Aromatic |
| C48 | C51 | sing | 1.42Å | 0.00Å | |
| C51 | O12 | sing | 1.35Å | 0.00Å | |
| O12 | C50 | sing | 1.35Å | 0.00Å | |
| C48 | C53 | sing | 1.41Å | 0.00Å | |
| C51 | C54 | doub | 1.38Å | 0.00Å | |
| C53 | C55 | doub | 1.36Å | 0.00Å | |
| C54 | C56 | sing | 1.40Å | 0.00Å | |
| C56 | C55 | sing | 1.41Å | 0.00Å | |
| C56 | O11 | doub | 1.23Å | 0.00Å | |
| C36 | H1 | sing | 1.09Å | 0.00Å | |
| C36 | H42 | sing | 1.09Å | 0.00Å | |
| C37 | H43 | sing | 1.09Å | 0.00Å | |
| C37 | H44 | sing | 1.09Å | 0.00Å | |
| C38 | H45 | sing | 1.09Å | 0.00Å | |
| C38 | H46 | sing | 1.09Å | 0.00Å | |
| C39 | H47 | sing | 1.09Å | 0.00Å | |
| C39 | H48 | sing | 1.09Å | 0.00Å | |
| C35 | H49 | sing | 1.08Å | 0.00Å | |
| C40 | H50 | sing | 1.08Å | 0.00Å | |
| C42 | H51 | sing | 1.08Å | 0.00Å | |
| O10 | H52 | sing | 0.97Å | 0.00Å | |
| C53 | H60 | sing | 1.08Å | 0.00Å | |
| C54 | H62 | sing | 1.08Å | 0.00Å | |
| C55 | H64 | sing | 1.08Å | 0.00Å | |
| C49 | C52 | sing | 1.40Å | 0.00Å | Aromatic |
| C50 | C57 | sing | 1.39Å | 0.00Å | Aromatic |
| C57 | C58 | doub | 1.39Å | 0.00Å | Aromatic |
| C52 | C59 | doub | 1.36Å | 0.00Å | Aromatic |
| C59 | C58 | sing | 1.40Å | 0.00Å | Aromatic |
| C58 | O13 | sing | 1.36Å | 0.00Å | |
| C52 | H53 | sing | 1.08Å | 0.00Å | |
| C57 | H55 | sing | 1.08Å | 0.00Å | |
| C59 | H56 | sing | 1.08Å | 0.00Å | |
| O13 | H57 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C27 | C28 | 106.0° | 109.4° |
| C27 | N4 | C25 | 115.4° | 110.9° |
| C27 | N4 | C24 | 122.7° | 111.0° |
| N4 | C27 | H12 | 110.3° | 109.5° |
| N4 | C27 | H13 | 110.4° | 109.5° |
| C27 | C28 | N5 | 112.8° | 109.4° |
| C27 | C28 | H10 | 108.6° | 109.5° |
| C27 | C28 | H11 | 108.6° | 109.5° |
| C28 | C27 | H12 | 110.3° | 109.5° |
| C28 | C27 | H13 | 110.3° | 109.5° |
| N4 | C25 | C26 | 109.7° | 109.4° |
| C25 | N4 | C24 | 122.0° | 111.0° |
| N4 | C25 | H8 | 109.4° | 109.5° |
| N4 | C25 | H9 | 109.4° | 109.5° |
| C25 | C26 | N5 | 113.9° | 109.4° |
| C25 | C26 | H6 | 108.4° | 109.5° |
| C25 | C26 | H7 | 108.4° | 109.5° |
| C26 | C25 | H8 | 109.4° | 109.4° |
| C26 | C25 | H9 | 109.4° | 109.5° |
| C33 | C32 | C29 | 121.1° | 120.0° |
| C32 | C33 | C34 | 120.8° | 120.0° |
| C32 | C33 | H4 | 119.6° | 120.0° |
| C33 | C32 | H5 | 119.5° | 120.0° |
| C32 | C29 | N5 | 120.7° | 120.0° |
| C32 | C29 | C30 | 117.8° | 120.0° |
| C29 | C32 | H5 | 119.4° | 120.0° |
| N4 | C24 | N3 | 123.7° | 119.5° |
| N4 | C24 | C22 | 118.4° | 119.6° |
| C33 | C34 | C31 | 118.3° | 120.0° |
| C34 | C33 | H4 | 119.6° | 119.9° |
| C33 | C34 | N6 | 82.5° | 120.1° |
| C28 | N5 | C26 | 123.4° | 110.9° |
| C28 | N5 | C29 | 115.8° | 111.0° |
| N5 | C28 | H10 | 108.6° | 109.5° |
| N5 | C28 | H11 | 108.7° | 109.5° |
| O2 | C13 | O1 | 117.6° | 120.0° |
| O2 | C13 | C12 | 124.0° | 120.1° |
| C26 | N5 | C29 | 120.6° | 111.0° |
| N5 | C26 | H6 | 108.3° | 109.5° |
| N5 | C26 | H7 | 108.4° | 109.5° |
| N5 | C29 | C30 | 121.4° | 120.0° |
| C29 | C30 | C31 | 120.8° | 120.0° |
| C29 | C30 | H3 | 119.6° | 120.0° |
| N3 | C24 | C22 | 117.9° | 120.9° |
| C24 | N3 | C23 | 122.2° | 121.7° |
| C24 | C22 | C21 | 121.4° | 119.4° |
| C24 | C22 | H14 | 119.3° | 120.3° |
| N3 | C23 | C20 | 120.6° | 120.5° |
| N3 | C23 | H16 | 119.7° | 119.8° |
| O1 | C13 | C12 | 118.4° | 120.0° |
| C13 | O1 | H32 | 109.5° | 116.9° |
| C34 | C31 | C30 | 121.2° | 120.0° |
| C34 | C31 | H2 | 119.4° | 120.0° |
| C31 | C34 | N6 | 65.3° | 120.0° |
| C13 | C12 | N1 | 110.2° | 109.4° |
| C13 | C12 | C11 | 110.4° | 109.5° |
| C13 | C12 | H31 | 109.7° | 109.5° |
| C30 | C31 | H2 | 119.4° | 120.0° |
| C31 | C30 | H3 | 119.6° | 120.0° |
| C22 | C21 | C20 | 120.1° | 118.4° |
| C21 | C22 | H14 | 119.3° | 120.3° |
| C22 | C21 | H15 | 120.0° | 120.8° |
| C23 | C20 | C21 | 117.8° | 119.0° |
| C23 | C20 | C | 122.8° | 120.5° |
| C20 | C23 | H16 | 119.7° | 119.7° |
| C21 | C20 | C | 119.4° | 120.5° |
| C20 | C21 | H15 | 119.9° | 120.7° |
| C20 | C | O | 121.3° | 120.0° |
| C20 | C | N | 121.7° | 120.0° |
| N1 | C12 | C11 | 106.6° | 109.4° |
| C12 | N1 | C14 | 124.7° | 120.0° |
| N1 | C12 | H31 | 110.7° | 109.4° |
| C12 | N1 | H33 | 117.7° | 120.0° |
| C12 | C11 | C10 | 113.5° | 109.5° |
| C12 | C11 | H29 | 108.5° | 109.5° |
| C12 | C11 | H30 | 108.5° | 109.5° |
| C11 | C12 | H31 | 109.2° | 109.5° |
| N1 | C14 | N2 | 116.2° | 119.9° |
| N1 | C14 | O7 | 123.1° | 120.0° |
| C14 | N1 | H33 | 117.7° | 120.0° |
| O | C | N | 117.1° | 120.0° |
| C | N | C1 | 123.9° | 120.0° |
| C | N | C8 | 118.9° | 120.0° |
| C11 | C10 | C9 | 112.8° | 109.5° |
| C11 | C10 | H27 | 108.6° | 109.5° |
| C11 | C10 | H28 | 108.7° | 109.4° |
| C10 | C11 | H29 | 108.5° | 109.5° |
| C10 | C11 | H30 | 108.5° | 109.5° |
| C10 | C9 | C8 | 114.5° | 109.4° |
| C10 | C9 | H25 | 108.2° | 109.5° |
| C10 | C9 | H26 | 108.2° | 109.5° |
| C9 | C10 | H27 | 108.6° | 109.5° |
| C9 | C10 | H28 | 108.6° | 109.5° |
| N2 | C14 | O7 | 120.7° | 120.0° |
| C14 | N2 | C15 | 119.3° | 120.0° |
| C14 | N2 | H34 | 120.4° | 120.0° |
| N2 | C15 | C16 | 116.9° | 109.5° |
| N2 | C15 | C19 | 108.0° | 109.5° |
| C15 | N2 | H34 | 120.3° | 120.0° |
| N2 | C15 | H35 | 109.6° | 109.5° |
| C1 | N | C8 | 117.1° | 120.0° |
| N | C1 | C2 | 107.8° | 109.5° |
| N | C1 | H17 | 109.9° | 109.5° |
| N | C1 | H18 | 109.9° | 109.5° |
| N | C8 | C9 | 108.6° | 109.5° |
| N | C8 | H23 | 109.7° | 109.4° |
| N | C8 | H24 | 109.7° | 109.4° |
| C6 | C7 | C2 | 120.8° | 120.0° |
| C7 | C6 | C5 | 118.9° | 120.0° |
| C6 | C7 | H19 | 119.6° | 120.0° |
| C7 | C6 | H20 | 120.6° | 120.0° |
| C7 | C2 | C1 | 119.2° | 120.0° |
| C7 | C2 | C3 | 120.4° | 120.0° |
| C2 | C7 | H19 | 119.6° | 120.0° |
| C9 | C8 | H23 | 109.7° | 109.5° |
| C9 | C8 | H24 | 109.7° | 109.5° |
| C8 | C9 | H25 | 108.2° | 109.4° |
| C8 | C9 | H26 | 108.2° | 109.5° |
| C6 | C5 | BR | 119.1° | 120.0° |
| C6 | C5 | C4 | 120.2° | 120.0° |
| C5 | C6 | H20 | 120.5° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C2 | C1 | H17 | 109.9° | 109.5° |
| C2 | C1 | H18 | 109.9° | 109.5° |
| C2 | C3 | C4 | 118.9° | 120.0° |
| C2 | C3 | H22 | 120.5° | 120.0° |
| C16 | C15 | C19 | 105.2° | 109.5° |
| C15 | C16 | C17 | 110.8° | 109.5° |
| C16 | C15 | H35 | 108.3° | 109.5° |
| C15 | C16 | H37 | 109.1° | 109.5° |
| C15 | C16 | H38 | 109.1° | 109.5° |
| C15 | C19 | O6 | 124.7° | 120.0° |
| C15 | C19 | O5 | 114.8° | 120.0° |
| C19 | C15 | H35 | 108.6° | 109.4° |
| C16 | C17 | C18 | 114.5° | 109.5° |
| C17 | C16 | H37 | 109.1° | 109.4° |
| C17 | C16 | H38 | 109.2° | 109.5° |
| C16 | C17 | H39 | 108.2° | 109.4° |
| C16 | C17 | H40 | 108.2° | 109.5° |
| C17 | C18 | O3 | 116.9° | 120.0° |
| C17 | C18 | O4 | 125.4° | 120.0° |
| C18 | C17 | H39 | 108.2° | 109.5° |
| C18 | C17 | H40 | 108.2° | 109.5° |
| BR | C5 | C4 | 120.6° | 120.0° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C5 | C4 | H21 | 119.7° | 120.0° |
| O3 | C18 | O4 | 117.8° | 120.0° |
| C3 | C4 | H21 | 119.6° | 120.0° |
| C4 | C3 | H22 | 120.6° | 120.0° |
| O6 | C19 | O5 | 120.5° | 120.0° |
| C19 | O5 | H36 | 109.5° | 117.0° |
| C18 | O4 | H41 | 109.5° | 117.0° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.4° | 109.4° |
| H23 | C8 | H24 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H27 | C10 | H28 | 109.5° | 109.5° |
| H29 | C11 | H30 | 109.5° | 109.4° |
| H37 | C16 | H38 | 109.5° | 109.5° |
| H39 | C17 | H40 | 109.4° | 109.5° |
| C34 | N6 | C36 | 90.0° | 110.9° |
| C34 | N6 | C37 | 90.0° | 111.0° |
| C36 | N6 | C37 | 90.0° | 111.3° |
| N6 | C36 | C38 | 90.0° | 109.3° |
| N6 | C36 | H1 | 90.0° | 109.5° |
| N6 | C36 | H42 | 90.0° | 109.5° |
| N6 | C37 | C39 | 90.0° | 109.3° |
| N6 | C37 | H43 | 90.0° | 109.5° |
| N6 | C37 | H44 | 90.0° | 109.5° |
| C36 | C38 | N7 | 90.0° | 108.5° |
| C38 | C36 | H1 | 90.0° | 109.5° |
| C38 | C36 | H42 | 90.0° | 109.5° |
| C36 | C38 | H45 | 90.0° | 109.7° |
| C36 | C38 | H46 | 90.0° | 109.6° |
| C37 | C39 | N7 | 90.0° | 108.6° |
| C39 | C37 | H43 | 90.0° | 109.6° |
| C39 | C37 | H44 | 90.0° | 109.5° |
| C37 | C39 | H47 | 90.0° | 109.7° |
| C37 | C39 | H48 | 90.0° | 109.6° |
| C39 | N7 | C38 | 90.0° | 118.2° |
| C39 | N7 | C41 | 90.0° | 120.9° |
| N7 | C39 | H47 | 90.0° | 109.6° |
| N7 | C39 | H48 | 90.0° | 109.6° |
| C38 | N7 | C41 | 90.0° | 120.9° |
| N7 | C38 | H45 | 90.0° | 109.6° |
| N7 | C38 | H46 | 90.0° | 109.8° |
| N7 | C41 | O8 | 90.0° | 120.0° |
| N7 | C41 | C43 | 90.0° | 120.0° |
| O8 | C41 | C43 | 90.0° | 120.0° |
| C41 | C43 | C35 | 90.0° | 120.0° |
| C41 | C43 | C40 | 90.0° | 119.9° |
| C35 | C43 | C40 | 90.0° | 120.1° |
| C43 | C35 | C44 | 90.0° | 119.9° |
| C43 | C35 | H49 | 90.0° | 120.1° |
| C43 | C40 | C42 | 90.0° | 120.3° |
| C43 | C40 | H50 | 90.0° | 119.9° |
| C40 | C42 | C45 | 90.0° | 120.1° |
| C42 | C40 | H50 | 90.0° | 119.8° |
| C40 | C42 | H51 | 90.0° | 119.9° |
| C35 | C44 | C45 | 90.0° | 119.7° |
| C35 | C44 | C47 | 90.0° | 120.2° |
| C44 | C35 | H49 | 90.0° | 120.1° |
| C44 | C45 | C42 | 90.0° | 119.9° |
| C44 | C45 | C46 | 90.0° | 120.1° |
| C45 | C44 | C47 | 90.0° | 120.2° |
| C42 | C45 | C46 | 90.0° | 120.0° |
| C45 | C42 | H51 | 90.0° | 119.9° |
| C45 | C46 | O9 | 90.0° | 120.0° |
| C45 | C46 | O10 | 90.0° | 120.0° |
| O9 | C46 | O10 | 90.0° | 120.0° |
| C46 | O10 | H52 | 90.0° | 117.0° |
| C44 | C47 | C48 | 90.0° | 121.2° |
| C44 | C47 | C49 | 90.0° | 121.2° |
| C48 | C47 | C49 | 90.0° | 117.6° |
| C47 | C48 | C51 | 90.0° | 119.4° |
| C47 | C48 | C53 | 90.0° | 120.3° |
| C47 | C49 | C50 | 90.0° | 119.0° |
| C47 | C49 | C52 | 90.0° | 120.8° |
| C49 | C50 | O12 | 90.0° | 120.5° |
| C50 | C49 | C52 | 90.0° | 120.2° |
| C49 | C50 | C57 | 90.0° | 119.2° |
| C48 | C51 | O12 | 90.0° | 121.1° |
| C51 | C48 | C53 | 90.0° | 120.3° |
| C48 | C51 | C54 | 90.0° | 119.2° |
| C51 | O12 | C50 | 90.0° | 122.4° |
| O12 | C51 | C54 | 90.0° | 119.7° |
| O12 | C50 | C57 | 90.0° | 120.3° |
| C48 | C53 | C55 | 90.0° | 120.0° |
| C48 | C53 | H60 | 90.0° | 120.0° |
| C51 | C54 | C56 | 90.0° | 119.9° |
| C51 | C54 | H62 | 90.0° | 120.0° |
| C53 | C55 | C56 | 90.0° | 120.2° |
| C55 | C53 | H60 | 90.0° | 120.0° |
| C53 | C55 | H64 | 90.0° | 119.9° |
| C54 | C56 | C55 | 90.0° | 120.3° |
| C54 | C56 | O11 | 90.0° | 119.9° |
| C56 | C54 | H62 | 90.0° | 120.1° |
| C55 | C56 | O11 | 90.0° | 119.8° |
| C56 | C55 | H64 | 90.0° | 119.9° |
| H1 | C36 | H42 | 90.0° | 109.5° |
| H43 | C37 | H44 | 90.0° | 109.5° |
| H45 | C38 | H46 | 90.0° | 109.6° |
| H47 | C39 | H48 | 90.0° | 109.8° |
| C49 | C52 | C59 | 90.0° | 119.8° |
| C49 | C52 | H53 | 90.0° | 120.2° |
| C50 | C57 | C58 | 90.0° | 119.9° |
| C50 | C57 | H55 | 90.0° | 120.1° |
| C57 | C58 | C59 | 90.0° | 120.6° |
| C57 | C58 | O13 | 90.0° | 119.8° |
| C58 | C57 | H55 | 90.0° | 120.0° |
| C52 | C59 | C58 | 90.0° | 120.4° |
| C59 | C52 | H53 | 90.0° | 120.1° |
| C52 | C59 | H56 | 90.0° | 119.8° |
| C59 | C58 | O13 | 90.0° | 119.7° |
| C58 | C59 | H56 | 90.0° | 119.8° |
| C58 | O13 | H57 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C27 | C28 | H12 | 119.4° | 120.0° |
| N4 | C27 | C28 | H13 | 119.5° | 120.0° |
| C27 | N4 | C25 | C24 | 179.9° | 123.8° |
| C27 | N4 | C25 | C26 | 60.6° | 59.3° |
| N4 | C27 | C28 | N5 | 47.9° | 58.4° |
| C27 | N4 | C24 | N3 | 16.1° | 123.8° |
| C27 | N4 | C24 | C22 | 163.5° | 55.9° |
| C27 | N4 | C25 | H8 | 179.4° | 60.6° |
| C27 | N4 | C25 | H9 | 59.5° | 179.3° |
| N4 | C27 | C28 | H10 | 168.4° | 61.5° |
| N4 | C27 | C28 | H11 | 72.6° | 178.4° |
| N4 | C27 | H12 | H13 | 121.6° | 120.1° |
| C28 | C27 | N4 | C25 | 68.3° | 59.3° |
| C28 | C27 | N4 | C24 | 111.6° | 176.8° |
| C27 | C28 | N5 | H10 | 120.5° | 119.9° |
| C27 | C28 | N5 | H11 | 120.5° | 120.0° |
| C27 | C28 | N5 | C26 | 28.8° | 59.3° |
| C27 | C28 | N5 | C29 | 156.4° | 176.8° |
| C27 | C28 | H10 | H11 | 118.5° | 120.1° |
| C28 | C27 | H12 | H13 | 121.6° | 120.0° |
| N4 | C25 | C26 | H8 | 120.0° | 119.9° |
| N4 | C25 | C26 | H9 | 120.0° | 120.0° |
| N4 | C25 | C26 | N5 | 32.5° | 58.4° |
| C25 | N4 | C24 | N3 | 164.1° | 0.0° |
| C25 | N4 | C24 | C22 | 16.4° | 179.7° |
| N4 | C25 | C26 | H6 | 88.2° | 178.4° |
| N4 | C25 | C26 | H7 | 153.1° | 61.6° |
| N4 | C25 | H8 | H9 | 119.9° | 120.1° |
| C25 | N4 | C27 | H12 | 51.2° | 179.3° |
| C25 | N4 | C27 | H13 | 172.3° | 60.6° |
| C26 | C25 | N4 | C24 | 119.3° | 176.8° |
| C25 | C26 | N5 | C28 | 20.4° | 59.3° |
| C25 | C26 | N5 | H6 | 120.7° | 120.0° |
| C25 | C26 | N5 | H7 | 120.7° | 120.0° |
| C25 | C26 | N5 | C29 | 165.1° | 176.8° |
| C25 | C26 | H6 | H7 | 118.0° | 120.0° |
| C26 | C25 | H8 | H9 | 119.9° | 120.0° |
| C33 | C32 | C29 | H5 | 180.0° | 179.5° |
| C32 | C33 | C34 | H4 | 180.0° | 180.0° |
| C33 | C32 | C29 | N5 | 178.4° | 180.0° |
| C33 | C32 | C29 | C30 | 1.1° | 0.8° |
| C32 | C33 | C34 | C31 | 0.2° | 0.1° |
| C32 | C33 | C34 | N6 | 56.4° | 179.7° |
| C29 | C32 | C33 | C34 | 0.6° | 0.5° |
| C32 | C29 | N5 | C28 | 28.4° | 56.2° |
| C32 | C29 | N5 | C26 | 156.7° | 180.0° |
| C32 | C29 | N5 | C30 | 177.2° | 179.2° |
| C32 | C29 | C30 | C31 | 0.9° | 0.5° |
| C32 | C29 | C30 | H3 | 179.1° | 179.5° |
| C29 | C32 | C33 | H4 | 179.4° | 179.5° |
| N4 | C24 | N3 | C22 | 179.6° | 179.8° |
| N4 | C24 | N3 | C23 | 179.6° | 180.0° |
| N4 | C24 | C22 | C21 | 179.5° | 180.0° |
| C24 | N4 | C25 | H8 | 0.7° | 63.3° |
| C24 | N4 | C25 | H9 | 120.6° | 56.9° |
| C24 | N4 | C27 | H12 | 129.0° | 56.9° |
| C24 | N4 | C27 | H13 | 7.8° | 63.2° |
| N4 | C24 | C22 | H14 | 0.5° | 0.0° |
| C33 | C34 | C31 | N6 | 65.6° | 179.6° |
| C33 | C34 | C31 | C30 | 0.4° | 0.4° |
| C33 | C34 | C31 | H2 | 179.6° | 179.7° |
| C34 | C33 | C32 | H5 | 179.5° | 180.0° |
| C33 | C34 | N6 | C36 | 90.0° | 0.3° |
| C33 | C34 | N6 | C37 | 90.0° | 124.6° |
| C28 | N5 | C26 | C29 | 174.5° | 123.9° |
| C28 | N5 | C29 | C30 | 148.9° | 123.0° |
| C28 | N5 | C26 | H6 | 100.3° | 179.3° |
| C28 | N5 | C26 | H7 | 141.1° | 60.7° |
| N5 | C28 | H10 | H11 | 118.5° | 120.1° |
| N5 | C28 | C27 | H12 | 71.5° | 178.4° |
| N5 | C28 | C27 | H13 | 167.4° | 61.6° |
| O2 | C13 | O1 | C12 | 179.4° | 180.0° |
| O2 | C13 | C12 | N1 | 140.4° | 0.0° |
| O2 | C13 | C12 | C11 | 102.2° | 120.0° |
| O2 | C13 | C12 | H31 | 18.3° | 120.0° |
| O2 | C13 | O1 | H32 | 0.0° | 0.0° |
| C26 | N5 | C29 | C30 | 26.1° | 0.8° |
| N5 | C26 | H6 | H7 | 118.0° | 120.0° |
| N5 | C26 | C25 | H8 | 152.5° | 61.6° |
| N5 | C26 | C25 | H9 | 87.6° | 178.4° |
| C26 | N5 | C28 | H10 | 149.3° | 60.6° |
| C26 | N5 | C28 | H11 | 91.7° | 179.3° |
| N5 | C29 | C30 | C31 | 178.2° | 179.7° |
| N5 | C29 | C30 | H3 | 1.8° | 0.3° |
| N5 | C29 | C32 | H5 | 1.6° | 0.5° |
| C29 | N5 | C26 | H6 | 74.3° | 56.9° |
| C29 | N5 | C26 | H7 | 44.4° | 63.2° |
| C29 | N5 | C28 | H10 | 36.0° | 63.2° |
| C29 | N5 | C28 | H11 | 83.1° | 56.8° |
| C29 | C30 | C31 | C34 | 0.1° | 0.1° |
| C29 | C30 | C31 | H3 | 180.0° | 180.0° |
| C29 | C30 | C31 | H2 | 179.9° | 180.0° |
| C30 | C29 | C32 | H5 | 178.9° | 179.7° |
| N3 | C24 | C22 | C21 | 0.1° | 0.3° |
| C24 | N3 | C23 | C20 | 1.2° | 0.1° |
| N3 | C24 | C22 | H14 | 179.9° | 179.7° |
| C24 | N3 | C23 | H16 | 178.8° | 179.9° |
| C22 | C24 | N3 | C23 | 0.9° | 0.2° |
| C24 | C22 | C21 | H14 | 180.0° | 180.0° |
| C24 | C22 | C21 | C20 | 0.7° | 0.0° |
| C24 | C22 | C21 | H15 | 179.3° | 180.0° |
| N3 | C23 | C20 | H16 | 180.0° | 180.0° |
| N3 | C23 | C20 | C21 | 0.5° | 0.3° |
| N3 | C23 | C20 | C | 179.2° | 180.0° |
| O1 | C13 | C12 | N1 | 38.9° | 180.0° |
| O1 | C13 | C12 | C11 | 78.5° | 60.0° |
| O1 | C13 | C12 | H31 | 161.1° | 60.1° |
| C34 | C31 | C30 | H2 | 180.0° | 179.9° |
| C34 | C31 | C30 | H3 | 179.8° | 179.9° |
| C31 | C34 | C33 | H4 | 179.8° | 180.0° |
| C31 | C34 | N6 | C36 | 90.0° | 180.0° |
| C31 | C34 | N6 | C37 | 90.0° | 55.8° |
| C13 | C12 | N1 | C11 | 119.8° | 120.0° |
| C13 | C12 | N1 | H31 | 121.5° | 120.0° |
| C13 | C12 | C11 | H31 | 120.8° | 120.1° |
| C13 | C12 | N1 | C14 | 156.6° | 85.0° |
| C13 | C12 | C11 | C10 | 68.0° | 175.0° |
| C13 | C12 | C11 | H29 | 171.5° | 55.0° |
| C13 | C12 | C11 | H30 | 52.7° | 64.9° |
| C12 | C13 | O1 | H32 | 179.4° | 180.0° |
| C13 | C12 | N1 | H33 | 23.4° | 95.0° |
| C30 | C31 | C34 | N6 | 65.2° | 180.0° |
| C22 | C21 | C20 | C23 | 0.4° | 0.3° |
| C22 | C21 | C20 | H15 | 180.0° | 180.0° |
| C22 | C21 | C20 | C | 178.4° | 180.0° |
| C23 | C20 | C21 | C | 178.7° | 179.7° |
| C23 | C20 | C | O | 112.6° | 149.9° |
| C23 | C20 | C | N | 67.9° | 30.1° |
| C23 | C20 | C21 | H15 | 179.6° | 179.7° |
| C21 | C20 | C | O | 66.1° | 30.4° |
| C21 | C20 | C | N | 113.5° | 149.6° |
| C20 | C21 | C22 | H14 | 179.3° | 180.0° |
| C21 | C20 | C23 | H16 | 179.5° | 179.7° |
| C20 | C | O | N | 179.5° | 180.0° |
| C20 | C | N | C1 | 0.6° | 173.4° |
| C20 | C | N | C8 | 178.8° | 6.6° |
| C | C20 | C21 | H15 | 1.7° | 0.0° |
| C | C20 | C23 | H16 | 0.8° | 0.0° |
| N1 | C12 | C11 | H31 | 119.6° | 120.0° |
| C12 | N1 | C14 | H33 | 180.0° | 179.9° |
| N1 | C12 | C11 | C10 | 172.4° | 65.0° |
| C12 | N1 | C14 | N2 | 177.5° | 180.0° |
| C12 | N1 | C14 | O7 | 1.1° | 0.1° |
| N1 | C12 | C11 | H29 | 51.8° | 175.0° |
| N1 | C12 | C11 | H30 | 67.0° | 55.0° |
| C11 | C12 | N1 | C14 | 83.6° | 155.0° |
| C12 | C11 | C10 | H29 | 120.6° | 120.0° |
| C12 | C11 | C10 | H30 | 120.6° | 120.0° |
| C12 | C11 | C10 | C9 | 160.6° | 180.0° |
| C12 | C11 | C10 | H27 | 78.9° | 60.0° |
| C12 | C11 | C10 | H28 | 40.1° | 60.0° |
| C12 | C11 | H29 | H30 | 118.2° | 120.0° |
| C11 | C12 | N1 | H33 | 96.4° | 25.0° |
| N1 | C14 | N2 | O7 | 178.6° | 179.9° |
| N1 | C14 | N2 | C15 | 161.5° | 180.0° |
| C14 | N1 | C12 | H31 | 35.1° | 35.0° |
| N1 | C14 | N2 | H34 | 18.5° | 0.1° |
| O | C | N | C1 | 179.0° | 6.6° |
| O | C | N | C8 | 0.7° | 173.3° |
| C | N | C1 | C8 | 178.3° | 180.0° |
| C | N | C8 | C9 | 91.9° | 99.1° |
| C | N | C1 | C2 | 64.3° | 95.0° |
| C | N | C1 | H17 | 55.4° | 144.9° |
| C | N | C1 | H18 | 175.9° | 25.0° |
| C | N | C8 | H23 | 28.0° | 140.9° |
| C | N | C8 | H24 | 148.2° | 21.0° |
| C11 | C10 | C9 | H27 | 120.5° | 120.0° |
| C11 | C10 | C9 | H28 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 62.2° | 180.0° |
| C11 | C10 | C9 | H25 | 177.1° | 60.0° |
| C11 | C10 | C9 | H26 | 58.5° | 60.0° |
| C11 | C10 | H27 | H28 | 118.5° | 120.0° |
| C10 | C11 | H29 | H30 | 118.2° | 120.0° |
| C10 | C11 | C12 | H31 | 52.8° | 55.0° |
| C10 | C9 | C8 | N | 79.0° | 180.0° |
| C10 | C9 | C8 | H25 | 120.7° | 120.0° |
| C10 | C9 | C8 | H26 | 120.7° | 120.0° |
| C10 | C9 | C8 | H23 | 40.9° | 60.0° |
| C10 | C9 | C8 | H24 | 161.1° | 60.0° |
| C10 | C9 | H25 | H26 | 117.7° | 120.1° |
| C9 | C10 | H27 | H28 | 118.5° | 120.0° |
| C9 | C10 | C11 | H29 | 40.0° | 60.0° |
| C9 | C10 | C11 | H30 | 78.8° | 60.0° |
| C14 | N2 | C15 | H34 | 180.0° | 180.0° |
| C14 | N2 | C15 | C16 | 171.1° | 155.0° |
| C14 | N2 | C15 | C19 | 52.9° | 85.0° |
| N2 | C14 | N1 | H33 | 2.5° | 0.1° |
| C14 | N2 | C15 | H35 | 65.2° | 35.0° |
| O7 | C14 | N2 | C15 | 17.1° | 0.0° |
| O7 | C14 | N1 | H33 | 178.9° | 180.0° |
| O7 | C14 | N2 | H34 | 162.9° | 180.0° |
| N2 | C15 | C16 | C19 | 119.7° | 120.0° |
| N2 | C15 | C16 | H35 | 124.3° | 120.0° |
| N2 | C15 | C19 | H35 | 118.7° | 120.0° |
| N2 | C15 | C16 | C17 | 52.5° | 65.0° |
| N2 | C15 | C19 | O6 | 27.9° | 0.0° |
| N2 | C15 | C19 | O5 | 153.3° | 180.0° |
| N2 | C15 | C16 | H37 | 172.7° | 54.9° |
| N2 | C15 | C16 | H38 | 67.8° | 175.0° |
| N | C1 | C2 | C7 | 108.2° | 84.8° |
| C1 | N | C8 | C9 | 89.7° | 80.9° |
| N | C1 | C2 | H17 | 119.8° | 120.0° |
| N | C1 | C2 | H18 | 119.8° | 120.0° |
| N | C1 | C2 | C3 | 73.1° | 94.9° |
| N | C1 | H17 | H18 | 120.8° | 120.0° |
| C1 | N | C8 | H23 | 150.4° | 39.1° |
| C1 | N | C8 | H24 | 30.2° | 159.0° |
| N | C8 | C9 | H23 | 119.9° | 120.0° |
| N | C8 | C9 | H24 | 119.9° | 120.0° |
| C8 | N | C1 | C2 | 114.0° | 85.0° |
| C8 | N | C1 | H17 | 126.3° | 35.1° |
| C8 | N | C1 | H18 | 5.8° | 155.0° |
| N | C8 | H23 | H24 | 120.4° | 119.9° |
| N | C8 | C9 | H25 | 41.7° | 60.0° |
| N | C8 | C9 | H26 | 160.2° | 60.0° |
| C6 | C7 | C2 | H19 | 180.0° | 180.0° |
| C7 | C6 | C5 | H20 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 179.2° | 180.0° |
| C6 | C7 | C2 | C3 | 0.5° | 0.3° |
| C7 | C6 | C5 | BR | 179.9° | 180.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C2 | C7 | C6 | C5 | 0.5° | 0.0° |
| C7 | C2 | C1 | C3 | 178.7° | 179.7° |
| C7 | C2 | C3 | C4 | 1.5° | 0.6° |
| C7 | C2 | C1 | H17 | 11.6° | 155.2° |
| C7 | C2 | C1 | H18 | 132.0° | 35.3° |
| C2 | C7 | C6 | H20 | 179.5° | 179.9° |
| C7 | C2 | C3 | H22 | 178.5° | 179.7° |
| C9 | C8 | H23 | H24 | 120.4° | 120.1° |
| C8 | C9 | H25 | H26 | 117.7° | 120.0° |
| C8 | C9 | C10 | H27 | 58.3° | 60.0° |
| C8 | C9 | C10 | H28 | 177.3° | 60.0° |
| C6 | C5 | BR | C4 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.3° |
| C5 | C6 | C7 | H19 | 179.5° | 180.0° |
| C6 | C5 | C4 | H21 | 179.4° | 180.0° |
| C1 | C2 | C3 | C4 | 179.8° | 179.7° |
| C2 | C1 | H17 | H18 | 120.8° | 120.0° |
| C1 | C2 | C7 | H19 | 0.8° | 0.1° |
| C1 | C2 | C3 | H22 | 0.2° | 0.1° |
| C2 | C3 | C4 | C5 | 1.5° | 0.6° |
| C2 | C3 | C4 | H22 | 180.0° | 179.7° |
| C3 | C2 | C1 | H17 | 167.1° | 25.1° |
| C3 | C2 | C1 | H18 | 46.6° | 145.1° |
| C3 | C2 | C7 | H19 | 179.5° | 179.7° |
| C2 | C3 | C4 | H21 | 178.4° | 179.7° |
| C16 | C15 | C19 | H35 | 115.8° | 120.0° |
| C15 | C16 | C17 | H37 | 120.2° | 120.0° |
| C15 | C16 | C17 | H38 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 169.8° | 180.0° |
| C16 | C15 | C19 | O6 | 97.6° | 120.0° |
| C16 | C15 | C19 | O5 | 81.2° | 59.9° |
| C16 | C15 | N2 | H34 | 8.9° | 25.0° |
| C15 | C16 | H37 | H38 | 119.4° | 120.0° |
| C15 | C16 | C17 | H39 | 69.4° | 60.0° |
| C15 | C16 | C17 | H40 | 49.1° | 60.0° |
| C19 | C15 | C16 | C17 | 67.3° | 175.0° |
| C15 | C19 | O6 | O5 | 178.7° | 179.9° |
| C19 | C15 | N2 | H34 | 127.1° | 95.0° |
| C15 | C19 | O5 | H36 | 178.8° | 180.0° |
| C19 | C15 | C16 | H37 | 52.9° | 65.1° |
| C19 | C15 | C16 | H38 | 172.5° | 55.0° |
| C16 | C17 | C18 | H39 | 120.7° | 119.9° |
| C16 | C17 | C18 | H40 | 120.8° | 120.0° |
| C16 | C17 | C18 | O3 | 161.9° | 0.1° |
| C16 | C17 | C18 | O4 | 17.9° | 180.0° |
| C17 | C16 | C15 | H35 | 176.8° | 55.0° |
| C17 | C16 | H37 | H38 | 119.4° | 120.0° |
| C16 | C17 | H39 | H40 | 117.7° | 120.0° |
| C17 | C18 | O3 | O4 | 179.7° | 179.9° |
| C18 | C17 | C16 | H37 | 49.6° | 60.0° |
| C18 | C17 | C16 | H38 | 70.0° | 59.9° |
| C18 | C17 | H39 | H40 | 117.7° | 120.0° |
| C17 | C18 | O4 | H41 | 179.7° | 179.9° |
| BR | C5 | C4 | C3 | 178.9° | 179.7° |
| BR | C5 | C6 | H20 | 0.1° | 0.1° |
| BR | C5 | C4 | H21 | 1.1° | 0.0° |
| C5 | C4 | C3 | H21 | 180.0° | 179.7° |
| C4 | C5 | C6 | H20 | 179.5° | 179.9° |
| C5 | C4 | C3 | H22 | 178.5° | 179.7° |
| O3 | C18 | C17 | H39 | 41.1° | 120.0° |
| O3 | C18 | C17 | H40 | 77.4° | 120.0° |
| O3 | C18 | O4 | H41 | 0.0° | 0.0° |
| O6 | C19 | C15 | H35 | 146.7° | 120.0° |
| O6 | C19 | O5 | H36 | 0.0° | 0.1° |
| O5 | C19 | C15 | H35 | 34.6° | 60.1° |
| O4 | C18 | C17 | H39 | 138.6° | 60.1° |
| O4 | C18 | C17 | H40 | 102.9° | 59.9° |
| H2 | C31 | C30 | H3 | 0.2° | 0.0° |
| H2 | C31 | C34 | N6 | 114.8° | 0.1° |
| H4 | C33 | C32 | H5 | 0.6° | 0.0° |
| H4 | C33 | C34 | N6 | 123.6° | 0.3° |
| H6 | C26 | C25 | H8 | 31.8° | 58.4° |
| H6 | C26 | C25 | H9 | 151.8° | 61.6° |
| H7 | C26 | C25 | H8 | 86.9° | 178.5° |
| H7 | C26 | C25 | H9 | 33.1° | 58.4° |
| H10 | C28 | C27 | H12 | 49.0° | 58.4° |
| H10 | C28 | C27 | H13 | 72.1° | 178.5° |
| H11 | C28 | C27 | H12 | 168.0° | 61.6° |
| H11 | C28 | C27 | H13 | 46.9° | 58.4° |
| H14 | C22 | C21 | H15 | 0.8° | 0.0° |
| H19 | C7 | C6 | H20 | 0.5° | 0.0° |
| H21 | C4 | C3 | H22 | 1.5° | 0.0° |
| H23 | C8 | C9 | H25 | 161.6° | 180.0° |
| H23 | C8 | C9 | H26 | 79.9° | 60.0° |
| H24 | C8 | C9 | H25 | 78.1° | 60.0° |
| H24 | C8 | C9 | H26 | 40.4° | 180.0° |
| H25 | C9 | C10 | H27 | 62.5° | 179.9° |
| H25 | C9 | C10 | H28 | 56.5° | 59.9° |
| H26 | C9 | C10 | H27 | 179.0° | 60.0° |
| H26 | C9 | C10 | H28 | 62.0° | 180.0° |
| H27 | C10 | C11 | H29 | 160.5° | 180.0° |
| H27 | C10 | C11 | H30 | 41.7° | 60.0° |
| H28 | C10 | C11 | H29 | 80.5° | 60.0° |
| H28 | C10 | C11 | H30 | 160.7° | 180.0° |
| H29 | C11 | C12 | H31 | 67.8° | 65.1° |
| H30 | C11 | C12 | H31 | 173.4° | 175.0° |
| H31 | C12 | N1 | H33 | 144.9° | 145.0° |
| H34 | N2 | C15 | H35 | 114.8° | 145.0° |
| H35 | C15 | C16 | H37 | 63.0° | 175.0° |
| H35 | C15 | C16 | H38 | 56.5° | 65.0° |
| H37 | C16 | C17 | H39 | 170.4° | 180.0° |
| H37 | C16 | C17 | H40 | 71.1° | 60.0° |
| H38 | C16 | C17 | H39 | 50.8° | 60.0° |
| H38 | C16 | C17 | H40 | 169.3° | 180.0° |
| C34 | N6 | C36 | C37 | 90.0° | 124.1° |
| C34 | N6 | C36 | C38 | 90.0° | 172.8° |
| C34 | N6 | C37 | C39 | 90.0° | 172.8° |
| C34 | N6 | C36 | H1 | 90.0° | 67.3° |
| C34 | N6 | C36 | H42 | 90.0° | 52.9° |
| C34 | N6 | C37 | H43 | 90.0° | 52.8° |
| C34 | N6 | C37 | H44 | 90.0° | 67.3° |
| N6 | C36 | C38 | H1 | 90.0° | 120.0° |
| N6 | C36 | C38 | H42 | 90.0° | 120.0° |
| C36 | N6 | C37 | C39 | 90.0° | 63.1° |
| N6 | C36 | C38 | N7 | 90.0° | 53.8° |
| N6 | C36 | H1 | H42 | 90.0° | 120.2° |
| C36 | N6 | C37 | H43 | 90.0° | 176.9° |
| C36 | N6 | C37 | H44 | 90.0° | 56.8° |
| N6 | C36 | C38 | H45 | 90.0° | 173.6° |
| N6 | C36 | C38 | H46 | 90.0° | 66.1° |
| C37 | N6 | C36 | C38 | 90.0° | 63.1° |
| N6 | C37 | C39 | H43 | 90.0° | 119.9° |
| N6 | C37 | C39 | H44 | 90.0° | 119.9° |
| N6 | C37 | C39 | N7 | 90.0° | 53.9° |
| C37 | N6 | C36 | H1 | 90.0° | 56.8° |
| C37 | N6 | C36 | H42 | 90.0° | 177.0° |
| N6 | C37 | H43 | H44 | 90.0° | 120.0° |
| N6 | C37 | C39 | H47 | 90.0° | 65.9° |
| N6 | C37 | C39 | H48 | 90.0° | 173.5° |
| C36 | C38 | N7 | C39 | 90.0° | 51.1° |
| C36 | C38 | N7 | H45 | 90.0° | 119.8° |
| C36 | C38 | N7 | H46 | 90.0° | 119.8° |
| C36 | C38 | N7 | C41 | 90.0° | 128.8° |
| C38 | C36 | H1 | H42 | 90.0° | 120.0° |
| C36 | C38 | H45 | H46 | 90.0° | 120.3° |
| C37 | C39 | N7 | H47 | 90.0° | 119.8° |
| C37 | C39 | N7 | H48 | 90.0° | 119.7° |
| C37 | C39 | N7 | C38 | 90.0° | 51.2° |
| C37 | C39 | N7 | C41 | 90.0° | 128.8° |
| C39 | C37 | H43 | H44 | 90.0° | 120.1° |
| C37 | C39 | H47 | H48 | 90.0° | 120.5° |
| C39 | N7 | C38 | C41 | 90.0° | 180.0° |
| C39 | N7 | C41 | O8 | 90.0° | 176.9° |
| C39 | N7 | C41 | C43 | 90.0° | 3.1° |
| N7 | C39 | C37 | H43 | 90.0° | 173.8° |
| N7 | C39 | C37 | H44 | 90.0° | 66.1° |
| C39 | N7 | C38 | H45 | 90.0° | 170.9° |
| C39 | N7 | C38 | H46 | 90.0° | 68.6° |
| N7 | C39 | H47 | H48 | 90.0° | 120.4° |
| C38 | N7 | C41 | O8 | 90.0° | 3.1° |
| C38 | N7 | C41 | C43 | 90.0° | 176.9° |
| N7 | C38 | C36 | H1 | 90.0° | 66.2° |
| N7 | C38 | C36 | H42 | 90.0° | 173.8° |
| N7 | C38 | H45 | H46 | 90.0° | 120.6° |
| C38 | N7 | C39 | H47 | 90.0° | 68.6° |
| C38 | N7 | C39 | H48 | 90.0° | 170.9° |
| N7 | C41 | O8 | C43 | 90.0° | 180.0° |
| N7 | C41 | C43 | C35 | 90.0° | 139.8° |
| N7 | C41 | C43 | C40 | 90.0° | 40.5° |
| C41 | N7 | C38 | H45 | 90.0° | 9.1° |
| C41 | N7 | C38 | H46 | 90.0° | 111.4° |
| C41 | N7 | C39 | H47 | 90.0° | 111.4° |
| C41 | N7 | C39 | H48 | 90.0° | 9.1° |
| O8 | C41 | C43 | C35 | 90.0° | 40.2° |
| O8 | C41 | C43 | C40 | 90.0° | 139.5° |
| C41 | C43 | C35 | C40 | 90.0° | 179.7° |
| C41 | C43 | C40 | C42 | 90.0° | 179.9° |
| C41 | C43 | C35 | C44 | 90.0° | 179.9° |
| C41 | C43 | C35 | H49 | 90.0° | 0.0° |
| C41 | C43 | C40 | H50 | 90.0° | 0.0° |
| C35 | C43 | C40 | C42 | 90.0° | 0.2° |
| C43 | C35 | C44 | H49 | 90.0° | 179.9° |
| C43 | C35 | C44 | C45 | 90.0° | 0.1° |
| C43 | C35 | C44 | C47 | 90.0° | 180.0° |
| C35 | C43 | C40 | H50 | 90.0° | 179.8° |
| C43 | C40 | C42 | H50 | 90.0° | 180.0° |
| C40 | C43 | C35 | C44 | 90.0° | 0.2° |
| C43 | C40 | C42 | C45 | 90.0° | 0.0° |
| C40 | C43 | C35 | H49 | 90.0° | 179.7° |
| C43 | C40 | C42 | H51 | 90.0° | 180.0° |
| C40 | C42 | C45 | C44 | 90.0° | 0.3° |
| C40 | C42 | C45 | H51 | 90.0° | 180.0° |
| C40 | C42 | C45 | C46 | 90.0° | 180.0° |
| C35 | C44 | C45 | C47 | 90.0° | 180.0° |
| C35 | C44 | C45 | C42 | 90.0° | 0.3° |
| C35 | C44 | C45 | C46 | 90.0° | 179.9° |
| C35 | C44 | C47 | C48 | 90.0° | 105.0° |
| C35 | C44 | C47 | C49 | 90.0° | 75.2° |
| C44 | C45 | C42 | C46 | 90.0° | 179.7° |
| C44 | C45 | C46 | O9 | 90.0° | 0.0° |
| C44 | C45 | C46 | O10 | 90.0° | 179.9° |
| C45 | C44 | C47 | C48 | 90.0° | 75.0° |
| C45 | C44 | C47 | C49 | 90.0° | 104.8° |
| C45 | C44 | C35 | H49 | 90.0° | 180.0° |
| C44 | C45 | C42 | H51 | 90.0° | 179.7° |
| C42 | C45 | C46 | O9 | 90.0° | 179.7° |
| C42 | C45 | C46 | O10 | 90.0° | 0.2° |
| C42 | C45 | C44 | C47 | 90.0° | 179.7° |
| C45 | C42 | C40 | H50 | 90.0° | 180.0° |
| C45 | C46 | O9 | O10 | 90.0° | 179.9° |
| C46 | C45 | C44 | C47 | 90.0° | 0.0° |
| C46 | C45 | C42 | H51 | 90.0° | 0.0° |
| C45 | C46 | O10 | H52 | 90.0° | 180.0° |
| O9 | C46 | O10 | H52 | 90.0° | 0.1° |
| C44 | C47 | C48 | C49 | 90.0° | 179.8° |
| C44 | C47 | C49 | C50 | 90.0° | 180.0° |
| C44 | C47 | C48 | C51 | 90.0° | 180.0° |
| C44 | C47 | C48 | C53 | 90.0° | 0.0° |
| C47 | C44 | C35 | H49 | 90.0° | 0.1° |
| C44 | C47 | C49 | C52 | 90.0° | 0.0° |
| C48 | C47 | C49 | C50 | 90.0° | 0.2° |
| C47 | C48 | C51 | C53 | 90.0° | 180.0° |
| C47 | C48 | C51 | O12 | 90.0° | 0.0° |
| C47 | C48 | C51 | C54 | 90.0° | 180.0° |
| C47 | C48 | C53 | C55 | 90.0° | 180.0° |
| C47 | C48 | C53 | H60 | 90.0° | 0.0° |
| C48 | C47 | C49 | C52 | 90.0° | 179.8° |
| C47 | C49 | C50 | C52 | 90.0° | 180.0° |
| C49 | C47 | C48 | C51 | 90.0° | 0.2° |
| C47 | C49 | C50 | O12 | 90.0° | 0.0° |
| C49 | C47 | C48 | C53 | 90.0° | 179.8° |
| C47 | C49 | C50 | C57 | 90.0° | 180.0° |
| C47 | C49 | C52 | C59 | 90.0° | 180.0° |
| C47 | C49 | C52 | H53 | 90.0° | 0.1° |
| C49 | C50 | O12 | C51 | 90.0° | 0.3° |
| C49 | C50 | O12 | C57 | 90.0° | 180.0° |
| C49 | C50 | C57 | C58 | 90.0° | 0.0° |
| C50 | C49 | C52 | C59 | 90.0° | 0.1° |
| C50 | C49 | C52 | H53 | 90.0° | 180.0° |
| C49 | C50 | C57 | H55 | 90.0° | 180.0° |
| C48 | C51 | O12 | C54 | 90.0° | 180.0° |
| C48 | C51 | O12 | C50 | 90.0° | 0.3° |
| C51 | C48 | C53 | C55 | 90.0° | 0.0° |
| C48 | C51 | C54 | C56 | 90.0° | 0.0° |
| C51 | C48 | C53 | H60 | 90.0° | 180.0° |
| C48 | C51 | C54 | H62 | 90.0° | 179.9° |
| O12 | C51 | C48 | C53 | 90.0° | 180.0° |
| O12 | C51 | C54 | C56 | 90.0° | 180.0° |
| O12 | C51 | C54 | H62 | 90.0° | 0.0° |
| C51 | O12 | C50 | C57 | 90.0° | 179.7° |
| C50 | O12 | C51 | C54 | 90.0° | 179.7° |
| O12 | C50 | C49 | C52 | 90.0° | 180.0° |
| O12 | C50 | C57 | C58 | 90.0° | 180.0° |
| O12 | C50 | C57 | H55 | 90.0° | 0.0° |
| C53 | C48 | C51 | C54 | 90.0° | 0.0° |
| C48 | C53 | C55 | H60 | 90.0° | 180.0° |
| C48 | C53 | C55 | C56 | 90.0° | 0.0° |
| C48 | C53 | C55 | H64 | 90.0° | 180.0° |
| C51 | C54 | C56 | H62 | 90.0° | 180.0° |
| C51 | C54 | C56 | C55 | 90.0° | 0.0° |
| C51 | C54 | C56 | O11 | 90.0° | 180.0° |
| C53 | C55 | C56 | C54 | 90.0° | 0.0° |
| C53 | C55 | C56 | H64 | 90.0° | 180.0° |
| C53 | C55 | C56 | O11 | 90.0° | 180.0° |
| C54 | C56 | C55 | O11 | 90.0° | 180.0° |
| C54 | C56 | C55 | H64 | 90.0° | 180.0° |
| C56 | C55 | C53 | H60 | 90.0° | 180.0° |
| C55 | C56 | C54 | H62 | 90.0° | 179.9° |
| O11 | C56 | C54 | H62 | 90.0° | 0.1° |
| O11 | C56 | C55 | H64 | 90.0° | 0.0° |
| H1 | C36 | C38 | H45 | 90.0° | 53.6° |
| H1 | C36 | C38 | H46 | 90.0° | 173.9° |
| H42 | C36 | C38 | H45 | 90.0° | 66.5° |
| H42 | C36 | C38 | H46 | 90.0° | 53.9° |
| H43 | C37 | C39 | H47 | 90.0° | 54.1° |
| H43 | C37 | C39 | H48 | 90.0° | 66.5° |
| H44 | C37 | C39 | H47 | 90.0° | 174.2° |
| H44 | C37 | C39 | H48 | 90.0° | 53.6° |
| H50 | C40 | C42 | H51 | 90.0° | 0.0° |
| H60 | C53 | C55 | H64 | 90.0° | 0.0° |
| C52 | C49 | C50 | C57 | 90.0° | 0.0° |
| C49 | C52 | C59 | H53 | 90.0° | 179.9° |
| C49 | C52 | C59 | C58 | 90.0° | 0.0° |
| C49 | C52 | C59 | H56 | 90.0° | 180.0° |
| C50 | C57 | C58 | H55 | 90.0° | 180.0° |
| C50 | C57 | C58 | C59 | 90.0° | 0.0° |
| C50 | C57 | C58 | O13 | 90.0° | 180.0° |
| C57 | C58 | C59 | C52 | 90.0° | 0.0° |
| C57 | C58 | C59 | O13 | 90.0° | 179.9° |
| C57 | C58 | C59 | H56 | 90.0° | 180.0° |
| C57 | C58 | O13 | H57 | 90.0° | 90.0° |
| C52 | C59 | C58 | H56 | 90.0° | 180.0° |
| C52 | C59 | C58 | O13 | 90.0° | 179.9° |
| C58 | C59 | C52 | H53 | 90.0° | 179.9° |
| C59 | C58 | C57 | H55 | 90.0° | 180.0° |
| C59 | C58 | O13 | H57 | 90.0° | 90.1° |
| O13 | C58 | C57 | H55 | 90.0° | 0.0° |
| O13 | C58 | C59 | H56 | 90.0° | 0.1° |
| H53 | C52 | C59 | H56 | 90.0° | 0.1° |
