1V7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.23Å | |
| C1 | N | sing | 1.47Å | 1.45Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C | C2 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C36 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | N2 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C16 | doub | 1.21Å | 1.23Å | |
| C15 | N3 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| N1 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C31 | O4 | sing | 1.43Å | 1.43Å | |
| C16 | N3 | sing | 1.35Å | 1.33Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| N2 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| N2 | C14 | sing | 1.46Å | 1.47Å | |
| C7 | C8 | sing | 1.48Å | 1.46Å | |
| C14 | C28 | sing | 1.51Å | 1.51Å | |
| C17 | O2 | sing | 1.43Å | 1.43Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| O4 | C30 | sing | 1.36Å | 1.37Å | |
| C28 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C32 | doub | 1.39Å | 1.41Å | Aromatic |
| O2 | C18 | sing | 1.36Å | 1.38Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | O5 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| O5 | C33 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.55Å | |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | BR | sing | 1.89Å | 1.89Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C4 | H33 | sing | 1.08Å | 1.08Å | |
| C3 | H34 | sing | 1.08Å | 1.08Å | |
| C13 | H35 | sing | 1.08Å | 1.08Å | |
| C12 | H36 | sing | 1.08Å | 1.08Å | |
| C9 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| N | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 122.4° | 120.0° |
| O | C | C2 | 120.7° | 120.0° |
| C1 | N | C | 122.1° | 120.0° |
| N | C1 | H1 | 109.5° | 109.4° |
| N | C1 | H2 | 109.5° | 109.4° |
| N | C1 | H3 | 109.5° | 109.5° |
| C1 | N | H39 | 119.0° | 120.0° |
| N | C | C2 | 116.9° | 120.0° |
| C | N | H39 | 118.9° | 120.1° |
| C | C2 | C3 | 121.8° | 119.9° |
| C | C2 | C36 | 117.7° | 119.9° |
| C3 | C2 | C36 | 120.5° | 120.2° |
| C2 | C3 | C4 | 121.1° | 120.5° |
| C2 | C3 | H34 | 119.4° | 119.7° |
| C2 | C36 | C6 | 118.8° | 119.5° |
| C2 | C36 | H38 | 120.6° | 120.3° |
| C3 | C4 | C5 | 117.7° | 120.2° |
| C3 | C4 | H33 | 121.2° | 120.0° |
| C4 | C3 | H34 | 119.5° | 119.8° |
| C36 | C6 | C5 | 119.8° | 119.5° |
| C36 | C6 | N1 | 129.5° | 133.3° |
| C6 | C36 | H38 | 120.6° | 120.3° |
| C4 | C5 | C6 | 122.1° | 120.1° |
| C4 | C5 | N2 | 132.9° | 133.7° |
| C5 | C4 | H33 | 121.1° | 119.9° |
| C5 | C6 | N1 | 110.6° | 107.1° |
| C6 | C5 | N2 | 105.0° | 106.1° |
| C6 | N1 | C7 | 105.0° | 109.6° |
| C5 | N2 | C7 | 106.4° | 107.3° |
| C5 | N2 | C14 | 125.6° | 126.3° |
| O3 | C16 | N3 | 123.3° | 120.0° |
| O3 | C16 | C17 | 119.5° | 120.0° |
| N3 | C15 | C14 | 113.0° | 109.5° |
| C15 | N3 | C16 | 122.9° | 120.0° |
| C15 | N3 | H20 | 118.5° | 120.0° |
| N3 | C15 | H21 | 108.6° | 109.5° |
| N3 | C15 | H22 | 108.6° | 109.5° |
| C15 | C14 | N2 | 112.4° | 109.5° |
| C15 | C14 | C28 | 115.7° | 109.5° |
| C14 | C15 | H21 | 108.6° | 109.5° |
| C14 | C15 | H22 | 108.6° | 109.5° |
| C15 | C14 | H23 | 105.5° | 109.5° |
| N1 | C7 | N2 | 112.9° | 109.9° |
| N1 | C7 | C8 | 122.3° | 125.1° |
| C31 | O4 | C30 | 117.7° | 117.0° |
| O4 | C31 | H29 | 109.5° | 109.5° |
| O4 | C31 | H30 | 109.4° | 109.5° |
| O4 | C31 | H31 | 109.5° | 109.5° |
| N3 | C16 | C17 | 117.2° | 120.0° |
| C16 | N3 | H20 | 118.6° | 120.0° |
| C16 | C17 | O2 | 111.4° | 109.5° |
| C16 | C17 | H5 | 109.0° | 109.5° |
| C16 | C17 | H6 | 109.0° | 109.5° |
| C7 | N2 | C14 | 127.9° | 126.4° |
| N2 | C7 | C8 | 124.7° | 125.0° |
| N2 | C14 | C28 | 110.4° | 109.5° |
| N2 | C14 | H23 | 106.2° | 109.4° |
| C7 | C8 | C9 | 120.5° | 120.1° |
| C7 | C8 | C13 | 119.5° | 120.1° |
| C14 | C28 | C29 | 122.6° | 120.0° |
| C14 | C28 | C35 | 117.9° | 119.9° |
| C28 | C14 | H23 | 105.7° | 109.4° |
| C17 | O2 | C18 | 117.8° | 117.0° |
| O2 | C17 | H5 | 109.0° | 109.5° |
| O2 | C17 | H6 | 109.0° | 109.4° |
| C28 | C29 | C30 | 120.1° | 120.0° |
| C29 | C28 | C35 | 119.4° | 120.1° |
| C28 | C29 | H32 | 119.9° | 120.0° |
| C29 | C30 | O4 | 124.5° | 120.1° |
| C29 | C30 | C32 | 119.9° | 119.8° |
| C30 | C29 | H32 | 120.0° | 120.0° |
| O4 | C30 | C32 | 115.6° | 120.1° |
| C28 | C35 | C34 | 121.3° | 120.2° |
| C28 | C35 | H24 | 119.3° | 119.9° |
| C30 | C32 | C34 | 119.8° | 119.9° |
| C30 | C32 | O5 | 115.9° | 120.0° |
| O2 | C18 | C27 | 122.0° | 120.1° |
| O2 | C18 | C19 | 116.5° | 120.0° |
| C9 | C8 | C13 | 119.8° | 119.8° |
| C8 | C9 | C10 | 120.2° | 119.8° |
| C8 | C9 | H37 | 119.9° | 120.1° |
| C8 | C13 | C12 | 120.5° | 119.9° |
| C8 | C13 | H35 | 119.8° | 120.0° |
| C18 | C27 | C26 | 119.3° | 119.9° |
| C27 | C18 | C19 | 121.5° | 119.9° |
| C18 | C27 | H7 | 120.3° | 120.1° |
| C27 | C26 | C25 | 120.2° | 120.1° |
| C26 | C27 | H7 | 120.3° | 120.0° |
| C27 | C26 | H8 | 119.9° | 120.0° |
| C35 | C34 | C32 | 119.6° | 120.0° |
| C34 | C35 | H24 | 119.3° | 119.9° |
| C35 | C34 | H25 | 120.2° | 120.0° |
| C9 | C10 | O1 | 120.9° | 120.0° |
| C9 | C10 | C11 | 118.8° | 120.0° |
| C10 | C9 | H37 | 119.9° | 120.1° |
| C34 | C32 | O5 | 124.3° | 120.1° |
| C32 | C34 | H25 | 120.2° | 120.0° |
| C32 | O5 | C33 | 117.6° | 117.0° |
| C18 | C19 | C20 | 122.4° | 120.0° |
| C18 | C19 | C24 | 117.3° | 119.9° |
| O5 | C33 | H26 | 109.5° | 109.5° |
| O5 | C33 | H27 | 109.4° | 109.5° |
| O5 | C33 | H28 | 109.5° | 109.5° |
| C21 | C20 | C19 | 109.7° | 109.5° |
| C21 | C20 | C23 | 108.6° | 109.5° |
| C21 | C20 | C22 | 107.7° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.4° | 109.5° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C26 | C25 | C24 | 120.3° | 120.1° |
| C25 | C26 | H8 | 119.9° | 119.9° |
| C26 | C25 | H9 | 119.8° | 120.0° |
| C13 | C12 | C11 | 119.2° | 120.2° |
| C12 | C13 | H35 | 119.7° | 120.1° |
| C13 | C12 | H36 | 120.4° | 119.9° |
| O1 | C10 | C11 | 120.2° | 120.0° |
| C10 | O1 | H4 | 109.5° | 114.0° |
| C10 | C11 | C12 | 121.5° | 120.2° |
| C10 | C11 | BR | 119.7° | 119.9° |
| C20 | C19 | C24 | 120.3° | 120.0° |
| C19 | C20 | C23 | 110.4° | 109.5° |
| C19 | C20 | C22 | 112.6° | 109.5° |
| C19 | C24 | C25 | 121.4° | 120.1° |
| C19 | C24 | H10 | 119.3° | 120.0° |
| C23 | C20 | C22 | 107.6° | 109.5° |
| C20 | C23 | H11 | 109.5° | 109.4° |
| C20 | C23 | H12 | 109.5° | 109.5° |
| C20 | C23 | H13 | 109.5° | 109.4° |
| C20 | C22 | H14 | 109.5° | 109.5° |
| C20 | C22 | H15 | 109.5° | 109.5° |
| C20 | C22 | H16 | 109.5° | 109.4° |
| C12 | C11 | BR | 118.8° | 119.9° |
| C11 | C12 | H36 | 120.4° | 119.9° |
| C24 | C25 | H9 | 119.9° | 120.0° |
| C25 | C24 | H10 | 119.3° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.4° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.4° | 109.5° |
| H14 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H19 | 109.5° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H26 | C33 | H27 | 109.5° | 109.4° |
| H26 | C33 | H28 | 109.4° | 109.4° |
| H27 | C33 | H28 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.4° | 109.5° |
| H29 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C1 | 13.2° | 0.1° |
| O | C | N | C2 | 179.8° | 180.0° |
| O | C | C2 | C3 | 44.5° | 180.0° |
| O | C | C2 | C36 | 136.3° | 0.0° |
| O | C | N | H39 | 166.8° | 180.0° |
| C1 | N | C | H39 | 180.0° | 179.9° |
| C1 | N | C | C2 | 167.0° | 180.0° |
| N | C1 | H1 | H2 | 120.0° | 119.9° |
| N | C1 | H1 | H3 | 120.0° | 120.0° |
| N | C1 | H2 | H3 | 120.0° | 120.0° |
| N | C | C2 | C3 | 135.3° | 0.0° |
| N | C | C2 | C36 | 43.9° | 180.0° |
| C | N | C1 | H1 | 180.0° | 180.0° |
| C | N | C1 | H2 | 60.0° | 60.0° |
| C | N | C1 | H3 | 60.0° | 60.0° |
| C | C2 | C3 | C36 | 179.1° | 180.0° |
| C | C2 | C3 | C4 | 179.1° | 180.0° |
| C | C2 | C36 | C6 | 178.8° | 180.0° |
| C | C2 | C3 | H34 | 0.9° | 0.1° |
| C | C2 | C36 | H38 | 1.2° | 0.0° |
| C2 | C | N | H39 | 13.0° | 0.0° |
| C2 | C3 | C4 | H34 | 180.0° | 180.0° |
| C3 | C2 | C36 | C6 | 0.3° | 0.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | H33 | 179.9° | 180.0° |
| C3 | C2 | C36 | H38 | 179.7° | 180.0° |
| C36 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C36 | C6 | H38 | 180.0° | 180.0° |
| C2 | C36 | C6 | C5 | 0.6° | 0.0° |
| C2 | C36 | C6 | N1 | 178.5° | 180.0° |
| C36 | C2 | C3 | H34 | 180.0° | 180.0° |
| C3 | C4 | C5 | H33 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C3 | C4 | C5 | N2 | 178.9° | 179.9° |
| C36 | C6 | C5 | C4 | 0.7° | 0.1° |
| C36 | C6 | C5 | N1 | 179.3° | 180.0° |
| C36 | C6 | C5 | N2 | 179.5° | 179.9° |
| C36 | C6 | N1 | C7 | 179.0° | 180.0° |
| C4 | C5 | C6 | N2 | 178.9° | 179.9° |
| C4 | C5 | C6 | N1 | 178.6° | 179.9° |
| C4 | C5 | N2 | C7 | 178.1° | 179.9° |
| C4 | C5 | N2 | C14 | 1.8° | 0.2° |
| C5 | C4 | C3 | H34 | 180.0° | 179.9° |
| C5 | C6 | N1 | C7 | 0.2° | 0.0° |
| C6 | C5 | N2 | C7 | 0.6° | 0.0° |
| C6 | C5 | N2 | C14 | 176.9° | 180.0° |
| C6 | C5 | C4 | H33 | 179.6° | 180.0° |
| C5 | C6 | C36 | H38 | 179.4° | 180.0° |
| N1 | C6 | C5 | N2 | 0.3° | 0.0° |
| C6 | N1 | C7 | N2 | 0.6° | 0.0° |
| C6 | N1 | C7 | C8 | 177.2° | 180.0° |
| N1 | C6 | C36 | H38 | 1.5° | 0.0° |
| C5 | N2 | C14 | C15 | 58.1° | 117.1° |
| C5 | N2 | C7 | N1 | 0.8° | 0.0° |
| C5 | N2 | C7 | C14 | 176.2° | 179.9° |
| C5 | N2 | C7 | C8 | 177.0° | 180.0° |
| C5 | N2 | C14 | C28 | 72.8° | 2.9° |
| C5 | N2 | C14 | H23 | 173.0° | 122.9° |
| N2 | C5 | C4 | H33 | 1.1° | 0.1° |
| O3 | C16 | N3 | C15 | 2.6° | 0.1° |
| O3 | C16 | N3 | C17 | 179.6° | 179.9° |
| O3 | C16 | C17 | O2 | 53.8° | 0.0° |
| O3 | C16 | C17 | H5 | 174.1° | 120.0° |
| O3 | C16 | C17 | H6 | 66.5° | 119.9° |
| O3 | C16 | N3 | H20 | 177.4° | 180.0° |
| N3 | C15 | C14 | H21 | 120.5° | 120.0° |
| N3 | C15 | C14 | H22 | 120.5° | 120.0° |
| C15 | N3 | C16 | H20 | 180.0° | 179.9° |
| C15 | N3 | C16 | C17 | 177.8° | 180.0° |
| N3 | C15 | C14 | N2 | 154.9° | 174.1° |
| N3 | C15 | C14 | C28 | 77.0° | 65.9° |
| N3 | C15 | H21 | H22 | 118.4° | 120.0° |
| N3 | C15 | C14 | H23 | 39.5° | 54.1° |
| C14 | C15 | N3 | C16 | 125.8° | 180.0° |
| C15 | C14 | N2 | C7 | 126.4° | 62.8° |
| C15 | C14 | N2 | C28 | 130.9° | 120.0° |
| C15 | C14 | N2 | H23 | 114.9° | 120.0° |
| C15 | C14 | C28 | H23 | 116.4° | 120.0° |
| C15 | C14 | C28 | C29 | 0.5° | 132.2° |
| C15 | C14 | C28 | C35 | 176.6° | 48.1° |
| C14 | C15 | N3 | H20 | 54.1° | 0.0° |
| C14 | C15 | H21 | H22 | 118.4° | 120.0° |
| N1 | C7 | N2 | C8 | 177.8° | 179.9° |
| N1 | C7 | N2 | C14 | 177.0° | 180.0° |
| N1 | C7 | C8 | C9 | 125.6° | 35.9° |
| N1 | C7 | C8 | C13 | 50.3° | 143.9° |
| C31 | O4 | C30 | C29 | 15.2° | 0.2° |
| C31 | O4 | C30 | C32 | 165.3° | 180.0° |
| O4 | C31 | H29 | H30 | 120.0° | 120.0° |
| O4 | C31 | H29 | H31 | 120.0° | 120.0° |
| O4 | C31 | H30 | H31 | 120.0° | 120.0° |
| N3 | C16 | C17 | O2 | 125.8° | 179.9° |
| N3 | C16 | C17 | H5 | 5.5° | 60.1° |
| N3 | C16 | C17 | H6 | 113.9° | 60.0° |
| C16 | N3 | C15 | H21 | 5.3° | 60.0° |
| C16 | N3 | C15 | H22 | 113.6° | 59.9° |
| C16 | C17 | O2 | H5 | 120.3° | 120.0° |
| C16 | C17 | O2 | H6 | 120.3° | 120.0° |
| C16 | C17 | O2 | C18 | 171.9° | 180.0° |
| C16 | C17 | H5 | H6 | 119.1° | 120.1° |
| C17 | C16 | N3 | H20 | 2.2° | 0.1° |
| C7 | N2 | C14 | C28 | 102.7° | 177.2° |
| N2 | C7 | C8 | C9 | 56.8° | 144.2° |
| N2 | C7 | C8 | C13 | 127.3° | 36.1° |
| C7 | N2 | C14 | H23 | 11.5° | 57.2° |
| C14 | N2 | C7 | C8 | 0.8° | 0.1° |
| N2 | C14 | C28 | H23 | 114.5° | 119.9° |
| N2 | C14 | C28 | C29 | 128.7° | 107.8° |
| N2 | C14 | C28 | C35 | 47.4° | 71.9° |
| N2 | C14 | C15 | H21 | 84.6° | 65.9° |
| N2 | C14 | C15 | H22 | 34.3° | 54.0° |
| C7 | C8 | C9 | C13 | 175.9° | 179.7° |
| C7 | C8 | C9 | C10 | 175.8° | 179.7° |
| C7 | C8 | C13 | C12 | 175.4° | 180.0° |
| C7 | C8 | C13 | H35 | 4.6° | 0.0° |
| C7 | C8 | C9 | H37 | 4.2° | 0.1° |
| C14 | C28 | C29 | C35 | 176.1° | 179.8° |
| C14 | C28 | C29 | C30 | 174.6° | 179.8° |
| C14 | C28 | C35 | C34 | 175.0° | 180.0° |
| C28 | C14 | C15 | H21 | 43.5° | 54.1° |
| C28 | C14 | C15 | H22 | 162.5° | 174.0° |
| C14 | C28 | C35 | H24 | 5.1° | 0.1° |
| C14 | C28 | C29 | H32 | 5.4° | 0.0° |
| C17 | O2 | C18 | C27 | 44.7° | 0.3° |
| C17 | O2 | C18 | C19 | 134.4° | 180.0° |
| O2 | C17 | H5 | H6 | 119.1° | 120.0° |
| C28 | C29 | C30 | H32 | 180.0° | 179.8° |
| C28 | C29 | C30 | O4 | 179.9° | 179.8° |
| C28 | C29 | C30 | C32 | 0.3° | 0.4° |
| C29 | C28 | C35 | C34 | 1.3° | 0.3° |
| C29 | C28 | C14 | H23 | 116.8° | 12.1° |
| C29 | C28 | C35 | H24 | 178.7° | 179.8° |
| C29 | C30 | O4 | C32 | 179.6° | 179.8° |
| C30 | C29 | C28 | C35 | 1.5° | 0.5° |
| C29 | C30 | C32 | C34 | 1.1° | 0.2° |
| C29 | C30 | C32 | O5 | 176.9° | 179.8° |
| O4 | C30 | C32 | C34 | 178.5° | 180.0° |
| O4 | C30 | C32 | O5 | 3.5° | 0.1° |
| C30 | O4 | C31 | H29 | 180.0° | 60.0° |
| C30 | O4 | C31 | H30 | 60.0° | 60.0° |
| C30 | O4 | C31 | H31 | 60.0° | 180.0° |
| O4 | C30 | C29 | H32 | 0.1° | 0.0° |
| C28 | C35 | C34 | H24 | 180.0° | 179.9° |
| C28 | C35 | C34 | C32 | 0.1° | 0.1° |
| C35 | C28 | C14 | H23 | 67.1° | 168.1° |
| C28 | C35 | C34 | H25 | 179.9° | 180.0° |
| C35 | C28 | C29 | H32 | 178.5° | 179.7° |
| C30 | C32 | C34 | C35 | 1.3° | 0.0° |
| C30 | C32 | C34 | O5 | 177.8° | 179.9° |
| C30 | C32 | O5 | C33 | 171.7° | 179.9° |
| C30 | C32 | C34 | H25 | 178.8° | 180.0° |
| C32 | C30 | C29 | H32 | 179.7° | 179.8° |
| O2 | C18 | C27 | C19 | 179.0° | 179.7° |
| O2 | C18 | C27 | C26 | 178.3° | 180.0° |
| O2 | C18 | C19 | C20 | 4.1° | 0.0° |
| O2 | C18 | C19 | C24 | 177.8° | 179.8° |
| C18 | O2 | C17 | H5 | 51.6° | 60.0° |
| C18 | O2 | C17 | H6 | 67.8° | 60.0° |
| O2 | C18 | C27 | H7 | 1.7° | 0.1° |
| C8 | C9 | C10 | H37 | 180.0° | 179.6° |
| C9 | C8 | C13 | C12 | 0.6° | 0.3° |
| C8 | C9 | C10 | O1 | 179.9° | 179.7° |
| C8 | C9 | C10 | C11 | 0.1° | 0.6° |
| C9 | C8 | C13 | H35 | 179.4° | 179.8° |
| C13 | C8 | C9 | C10 | 0.1° | 0.6° |
| C8 | C13 | C12 | H35 | 180.0° | 180.0° |
| C8 | C13 | C12 | C11 | 0.8° | 0.0° |
| C8 | C13 | C12 | H36 | 179.2° | 180.0° |
| C13 | C8 | C9 | H37 | 179.9° | 179.8° |
| C18 | C27 | C26 | H7 | 180.0° | 179.9° |
| C18 | C27 | C26 | C25 | 0.2° | 0.0° |
| C27 | C18 | C19 | C20 | 176.8° | 179.7° |
| C27 | C18 | C19 | C24 | 1.3° | 0.6° |
| C18 | C27 | C26 | H8 | 179.8° | 180.0° |
| C26 | C27 | C18 | C19 | 0.7° | 0.3° |
| C27 | C26 | C25 | H8 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.5° | 0.0° |
| C27 | C26 | C25 | H9 | 179.5° | 180.0° |
| C35 | C34 | C32 | H25 | 180.0° | 180.0° |
| C35 | C34 | C32 | O5 | 176.5° | 180.0° |
| C9 | C10 | O1 | C11 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C9 | C10 | C11 | BR | 177.8° | 179.7° |
| C9 | C10 | O1 | H4 | 180.0° | 89.7° |
| C34 | C32 | O5 | C33 | 6.1° | 0.0° |
| C32 | C34 | C35 | H24 | 179.9° | 180.0° |
| O5 | C32 | C34 | H25 | 3.4° | 0.0° |
| C32 | O5 | C33 | H26 | 180.0° | 60.0° |
| C32 | O5 | C33 | H27 | 60.0° | 60.0° |
| C32 | O5 | C33 | H28 | 60.0° | 180.0° |
| C18 | C19 | C20 | C21 | 60.9° | 60.0° |
| C18 | C19 | C20 | C24 | 178.1° | 179.7° |
| C18 | C19 | C20 | C23 | 58.8° | 60.0° |
| C18 | C19 | C20 | C22 | 179.1° | 180.0° |
| C18 | C19 | C24 | C25 | 0.9° | 0.6° |
| C19 | C18 | C27 | H7 | 179.3° | 179.8° |
| C18 | C19 | C24 | H10 | 179.1° | 179.7° |
| O5 | C33 | H26 | H27 | 120.0° | 120.1° |
| O5 | C33 | H26 | H28 | 120.0° | 120.0° |
| O5 | C33 | H27 | H28 | 120.0° | 120.0° |
| C21 | C20 | C19 | C23 | 119.7° | 120.0° |
| C21 | C20 | C19 | C22 | 120.0° | 120.0° |
| C21 | C20 | C19 | C24 | 117.2° | 120.3° |
| C21 | C20 | C23 | C22 | 116.3° | 120.0° |
| C21 | C20 | C23 | H11 | 180.0° | 180.0° |
| C21 | C20 | C23 | H12 | 60.0° | 60.0° |
| C21 | C20 | C23 | H13 | 60.0° | 60.0° |
| C21 | C20 | C22 | H14 | 180.0° | 60.1° |
| C21 | C20 | C22 | H15 | 60.0° | 60.0° |
| C21 | C20 | C22 | H16 | 60.0° | 180.0° |
| C20 | C21 | H17 | H18 | 120.0° | 120.1° |
| C20 | C21 | H17 | H19 | 120.0° | 120.0° |
| C20 | C21 | H18 | H19 | 120.0° | 120.0° |
| C26 | C25 | C24 | C19 | 0.0° | 0.3° |
| C26 | C25 | C24 | H9 | 180.0° | 180.0° |
| C25 | C26 | C27 | H7 | 179.8° | 179.9° |
| C26 | C25 | C24 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C13 | C12 | C11 | H36 | 180.0° | 180.0° |
| C13 | C12 | C11 | BR | 177.3° | 180.0° |
| O1 | C10 | C11 | C12 | 179.9° | 180.0° |
| O1 | C10 | C11 | BR | 2.2° | 0.0° |
| O1 | C10 | C9 | H37 | 0.1° | 0.1° |
| C10 | C11 | C12 | BR | 177.9° | 180.0° |
| C11 | C10 | O1 | H4 | 0.0° | 90.0° |
| C10 | C11 | C12 | H36 | 179.4° | 180.0° |
| C11 | C10 | C9 | H37 | 179.9° | 179.8° |
| C19 | C20 | C23 | C22 | 123.3° | 120.0° |
| C20 | C19 | C24 | C25 | 177.2° | 179.7° |
| C20 | C19 | C24 | H10 | 2.8° | 0.0° |
| C19 | C20 | C23 | H11 | 59.6° | 60.0° |
| C19 | C20 | C23 | H12 | 179.6° | 180.0° |
| C19 | C20 | C23 | H13 | 60.4° | 60.0° |
| C19 | C20 | C22 | H14 | 58.9° | 60.0° |
| C19 | C20 | C22 | H15 | 61.1° | 180.0° |
| C19 | C20 | C22 | H16 | 178.9° | 60.0° |
| C19 | C20 | C21 | H17 | 180.0° | 59.9° |
| C19 | C20 | C21 | H18 | 60.0° | 180.0° |
| C19 | C20 | C21 | H19 | 60.0° | 60.0° |
| C24 | C19 | C20 | C23 | 123.1° | 119.7° |
| C24 | C19 | C20 | C22 | 2.8° | 0.3° |
| C19 | C24 | C25 | H10 | 180.0° | 179.7° |
| C19 | C24 | C25 | H9 | 180.0° | 179.7° |
| C20 | C23 | H11 | H12 | 120.0° | 120.0° |
| C20 | C23 | H11 | H13 | 120.0° | 119.9° |
| C20 | C23 | H12 | H13 | 120.0° | 120.0° |
| C23 | C20 | C22 | H14 | 63.1° | 180.0° |
| C23 | C20 | C22 | H15 | 177.0° | 60.0° |
| C23 | C20 | C22 | H16 | 57.0° | 60.0° |
| C23 | C20 | C21 | H17 | 59.2° | 60.1° |
| C23 | C20 | C21 | H18 | 179.2° | 60.0° |
| C23 | C20 | C21 | H19 | 60.8° | 180.0° |
| C22 | C20 | C23 | H11 | 63.6° | 60.0° |
| C22 | C20 | C23 | H12 | 56.4° | 60.0° |
| C22 | C20 | C23 | H13 | 176.4° | 180.0° |
| C20 | C22 | H14 | H15 | 120.0° | 120.0° |
| C20 | C22 | H14 | H16 | 120.0° | 120.0° |
| C20 | C22 | H15 | H16 | 120.0° | 120.0° |
| C22 | C20 | C21 | H17 | 57.1° | 179.9° |
| C22 | C20 | C21 | H18 | 62.9° | 60.0° |
| C22 | C20 | C21 | H19 | 177.1° | 60.0° |
| C11 | C12 | C13 | H35 | 179.2° | 180.0° |
| C24 | C25 | C26 | H8 | 179.5° | 180.0° |
| BR | C11 | C12 | H36 | 2.7° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | N | H39 | 0.0° | 0.1° |
| H2 | C1 | N | H39 | 120.0° | 120.0° |
| H3 | C1 | N | H39 | 120.0° | 120.0° |
| H7 | C27 | C26 | H8 | 0.2° | 0.0° |
| H8 | C26 | C25 | H9 | 0.5° | 0.0° |
| H9 | C25 | C24 | H10 | 0.0° | 0.0° |
| H11 | C23 | H12 | H13 | 120.0° | 120.1° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H17 | C21 | H18 | H19 | 120.0° | 119.9° |
| H20 | N3 | C15 | H21 | 174.7° | 120.0° |
| H20 | N3 | C15 | H22 | 66.4° | 120.0° |
| H21 | C15 | C14 | H23 | 160.0° | 174.1° |
| H22 | C15 | C14 | H23 | 81.0° | 66.0° |
| H24 | C35 | C34 | H25 | 0.0° | 0.1° |
| H26 | C33 | H27 | H28 | 120.0° | 119.9° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
| H33 | C4 | C3 | H34 | 0.0° | 0.0° |
| H35 | C13 | C12 | H36 | 0.8° | 0.0° |
