9IC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.48Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C18 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C13 | sing | 1.51Å | 1.51Å | |
| C18 | O20 | sing | 1.43Å | 1.43Å | |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| O17 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | N14 | sing | 1.35Å | 1.34Å | |
| C13 | N14 | sing | 1.47Å | 1.46Å | |
| C13 | C22 | sing | 1.53Å | 1.53Å | |
| C16 | N19 | sing | 1.47Å | 1.46Å | |
| C22 | N23 | sing | 1.46Å | 1.45Å | |
| N23 | C24 | sing | 1.35Å | 1.33Å | |
| O40 | C24 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| N29 | C28 | doub | 1.30Å | 1.28Å | |
| N29 | C30 | sing | 1.36Å | 1.40Å | |
| C28 | N27 | sing | 1.36Å | 1.37Å | |
| C33 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.41Å | 1.40Å | Aromatic |
| BR1 | C34 | sing | 1.89Å | 1.90Å | |
| C34 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| N27 | C26 | sing | 1.46Å | 1.47Å | |
| N27 | C32 | sing | 1.35Å | 1.39Å | |
| C31 | C32 | sing | 1.47Å | 1.47Å | |
| C31 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | O37 | doub | 1.22Å | 1.22Å | |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | CL1 | sing | 1.74Å | 1.73Å | |
| 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 | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| N19 | H14 | sing | 1.01Å | 1.00Å | |
| N19 | H15 | sing | 1.01Å | 1.00Å | |
| O20 | H17 | sing | 0.97Å | 0.95Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 120.1° |
| C1 | C2 | C3 | 119.7° | 120.3° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | H2 | 120.2° | 119.9° |
| C1 | C6 | C5 | 120.8° | 119.8° |
| C6 | C1 | H1 | 119.8° | 119.9° |
| C1 | C6 | H5 | 119.6° | 120.1° |
| C2 | C3 | C4 | 120.3° | 120.1° |
| C3 | C2 | H2 | 120.2° | 119.9° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C6 | C5 | C4 | 118.1° | 119.8° |
| C6 | C5 | C7 | 120.9° | 120.1° |
| C5 | C6 | H5 | 119.6° | 120.1° |
| C3 | C4 | C5 | 120.8° | 119.9° |
| C4 | C3 | H3 | 119.9° | 119.9° |
| C3 | C4 | H4 | 119.6° | 120.1° |
| C11 | C12 | C7 | 120.7° | 119.9° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | H8 | 119.9° | 119.9° |
| C11 | C12 | H9 | 119.6° | 120.0° |
| C12 | C7 | C5 | 121.0° | 120.1° |
| C12 | C7 | C8 | 118.4° | 119.8° |
| C7 | C12 | H9 | 119.7° | 120.1° |
| C4 | C5 | C7 | 121.0° | 120.1° |
| C5 | C4 | H4 | 119.6° | 120.1° |
| C5 | C7 | C8 | 120.6° | 120.1° |
| C11 | C10 | C9 | 120.5° | 120.2° |
| C11 | C10 | H7 | 119.7° | 119.9° |
| C10 | C11 | H8 | 119.9° | 120.0° |
| C7 | C8 | C9 | 121.3° | 119.9° |
| C7 | C8 | H6 | 119.4° | 120.0° |
| C10 | C9 | C8 | 119.0° | 120.1° |
| C10 | C9 | C13 | 120.4° | 119.9° |
| C9 | C10 | H7 | 119.7° | 119.9° |
| C21 | C18 | O20 | 110.0° | 109.5° |
| C21 | C18 | C16 | 112.6° | 109.4° |
| C21 | C18 | H13 | 108.3° | 109.5° |
| C18 | C21 | H18 | 109.5° | 109.5° |
| C18 | C21 | H19 | 109.5° | 109.4° |
| C18 | C21 | H20 | 109.5° | 109.5° |
| C8 | C9 | C13 | 120.6° | 119.9° |
| C9 | C8 | H6 | 119.4° | 120.1° |
| C9 | C13 | N14 | 112.4° | 109.5° |
| C9 | C13 | C22 | 108.7° | 109.5° |
| C9 | C13 | H10 | 108.2° | 109.4° |
| O20 | C18 | C16 | 108.5° | 109.5° |
| O20 | C18 | H13 | 109.4° | 109.5° |
| C18 | O20 | H17 | 109.5° | 114.0° |
| C18 | C16 | C15 | 111.2° | 109.4° |
| C18 | C16 | N19 | 112.9° | 109.5° |
| C18 | C16 | H12 | 107.3° | 109.5° |
| C16 | C18 | H13 | 108.0° | 109.5° |
| O17 | C15 | C16 | 120.7° | 120.0° |
| O17 | C15 | N14 | 123.1° | 120.1° |
| C16 | C15 | N14 | 116.2° | 120.0° |
| C15 | C16 | N19 | 109.6° | 109.4° |
| C15 | C16 | H12 | 107.4° | 109.5° |
| C15 | N14 | C13 | 123.5° | 120.0° |
| C15 | N14 | H11 | 118.2° | 120.0° |
| N14 | C13 | C22 | 110.4° | 109.5° |
| N14 | C13 | H10 | 108.9° | 109.4° |
| C13 | N14 | H11 | 118.2° | 120.0° |
| C13 | C22 | N23 | 109.3° | 109.5° |
| C22 | C13 | H10 | 108.1° | 109.5° |
| C13 | C22 | H21 | 109.5° | 109.4° |
| C13 | C22 | H22 | 109.5° | 109.4° |
| N19 | C16 | H12 | 108.3° | 109.5° |
| C16 | N19 | H14 | 109.5° | 111.0° |
| C16 | N19 | H15 | 109.5° | 111.0° |
| C22 | N23 | C24 | 123.1° | 120.0° |
| N23 | C22 | H21 | 109.5° | 109.5° |
| N23 | C22 | H22 | 109.5° | 109.5° |
| C22 | N23 | H23 | 118.4° | 120.0° |
| N23 | C24 | O40 | 122.7° | 120.0° |
| N23 | C24 | C25 | 115.5° | 120.0° |
| C24 | N23 | H23 | 118.4° | 120.0° |
| O40 | C24 | C25 | 121.8° | 120.0° |
| C24 | C25 | C26 | 113.0° | 109.5° |
| C24 | C25 | H24 | 108.6° | 109.5° |
| C24 | C25 | H25 | 108.6° | 109.5° |
| C25 | C26 | N27 | 112.4° | 109.5° |
| C26 | C25 | H24 | 108.6° | 109.5° |
| C26 | C25 | H25 | 108.6° | 109.4° |
| C25 | C26 | H26 | 108.7° | 109.5° |
| C25 | C26 | H27 | 108.7° | 109.4° |
| C28 | N29 | C30 | 116.4° | 121.6° |
| N29 | C28 | N27 | 126.3° | 123.3° |
| N29 | C28 | H28 | 116.9° | 118.3° |
| N29 | C30 | C33 | 118.3° | 121.6° |
| N29 | C30 | C31 | 122.2° | 119.0° |
| C28 | N27 | C26 | 119.6° | 119.7° |
| C28 | N27 | C32 | 121.7° | 120.6° |
| N27 | C28 | H28 | 116.9° | 118.4° |
| C30 | C33 | C34 | 119.6° | 119.7° |
| C33 | C30 | C31 | 119.5° | 119.4° |
| C30 | C33 | H29 | 120.2° | 120.2° |
| C33 | C34 | BR1 | 118.2° | 119.6° |
| C33 | C34 | C35 | 120.5° | 120.8° |
| C34 | C33 | H29 | 120.2° | 120.2° |
| C30 | C31 | C32 | 119.5° | 118.0° |
| C30 | C31 | C36 | 120.4° | 120.1° |
| BR1 | C34 | C35 | 121.2° | 119.6° |
| C34 | C35 | C36 | 120.3° | 120.5° |
| C34 | C35 | CL1 | 121.5° | 119.7° |
| C26 | N27 | C32 | 118.7° | 119.7° |
| N27 | C26 | H26 | 108.7° | 109.5° |
| N27 | C26 | H27 | 108.8° | 109.5° |
| N27 | C32 | C31 | 113.9° | 117.5° |
| N27 | C32 | O37 | 121.5° | 121.3° |
| C32 | C31 | C36 | 120.1° | 121.9° |
| C31 | C32 | O37 | 124.6° | 121.3° |
| C31 | C36 | C35 | 119.6° | 119.5° |
| C31 | C36 | H30 | 120.2° | 120.2° |
| C36 | C35 | CL1 | 118.2° | 119.8° |
| C35 | C36 | H30 | 120.2° | 120.3° |
| H14 | N19 | H15 | 109.5° | 111.1° |
| H18 | C21 | H19 | 109.5° | 109.4° |
| H18 | C21 | H20 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C6 | H5 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C6 | C5 | H5 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | C7 | 179.3° | 180.0° |
| C6 | C1 | C2 | H2 | 179.5° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 179.5° | 179.7° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C6 | C5 | C7 | C12 | 47.0° | 179.7° |
| C6 | C5 | C4 | C7 | 179.3° | 179.9° |
| C6 | C5 | C7 | C8 | 131.7° | 0.0° |
| C5 | C6 | C1 | H1 | 179.7° | 179.7° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C7 | 179.4° | 180.0° |
| C4 | C3 | C2 | H2 | 179.6° | 179.9° |
| C11 | C12 | C7 | H9 | 180.0° | 179.3° |
| C11 | C12 | C7 | C5 | 178.5° | 179.6° |
| C12 | C11 | C10 | H8 | 180.0° | 179.6° |
| C11 | C12 | C7 | C8 | 0.1° | 0.6° |
| C12 | C11 | C10 | C9 | 0.2° | 0.4° |
| C12 | C11 | C10 | H7 | 179.8° | 179.7° |
| C12 | C7 | C5 | C4 | 133.7° | 0.2° |
| C12 | C7 | C5 | C8 | 178.6° | 179.8° |
| C7 | C12 | C11 | C10 | 0.3° | 0.7° |
| C12 | C7 | C8 | C9 | 0.6° | 0.3° |
| C12 | C7 | C8 | H6 | 179.4° | 179.8° |
| C7 | C12 | C11 | H8 | 179.7° | 179.7° |
| C4 | C5 | C7 | C8 | 47.6° | 180.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C7 | C8 | C9 | 178.0° | 180.0° |
| C7 | C5 | C4 | H4 | 0.6° | 0.1° |
| C7 | C5 | C6 | H5 | 0.7° | 0.1° |
| C5 | C7 | C8 | H6 | 1.9° | 0.0° |
| C5 | C7 | C12 | H9 | 1.5° | 0.3° |
| C11 | C10 | C9 | H7 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.3° | 0.0° |
| C11 | C10 | C9 | C13 | 177.9° | 179.9° |
| C10 | C11 | C12 | H9 | 179.7° | 180.0° |
| C7 | C8 | C9 | C10 | 0.7° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C13 | 177.5° | 180.0° |
| C8 | C7 | C12 | H9 | 179.9° | 179.9° |
| C10 | C9 | C8 | C13 | 178.2° | 180.0° |
| C10 | C9 | C13 | N14 | 47.6° | 45.7° |
| C10 | C9 | C13 | C22 | 74.9° | 74.3° |
| C10 | C9 | C8 | H6 | 179.3° | 179.9° |
| C9 | C10 | C11 | H8 | 179.8° | 180.0° |
| C10 | C9 | C13 | H10 | 168.0° | 165.7° |
| C21 | C18 | O20 | C16 | 123.6° | 120.0° |
| C21 | C18 | O20 | H13 | 118.8° | 120.0° |
| C21 | C18 | C16 | H13 | 119.5° | 120.0° |
| C21 | C18 | C16 | C15 | 71.0° | 175.0° |
| C21 | C18 | C16 | N19 | 165.3° | 55.0° |
| C21 | C18 | C16 | H12 | 46.1° | 65.0° |
| C21 | C18 | O20 | H17 | 180.0° | 59.9° |
| C18 | C21 | H18 | H19 | 120.0° | 120.0° |
| C18 | C21 | H18 | H20 | 120.0° | 120.0° |
| C18 | C21 | H19 | H20 | 120.0° | 120.0° |
| C8 | C9 | C13 | N14 | 134.2° | 134.3° |
| C8 | C9 | C13 | C22 | 103.3° | 105.6° |
| C8 | C9 | C10 | H7 | 179.7° | 180.0° |
| C8 | C9 | C13 | H10 | 13.9° | 14.4° |
| C9 | C13 | N14 | C15 | 82.8° | 86.3° |
| C9 | C13 | N14 | C22 | 121.5° | 120.1° |
| C9 | C13 | N14 | H10 | 120.0° | 120.0° |
| C9 | C13 | C22 | H10 | 117.2° | 120.0° |
| C9 | C13 | C22 | N23 | 178.7° | 175.0° |
| C13 | C9 | C8 | H6 | 2.5° | 0.0° |
| C13 | C9 | C10 | H7 | 2.1° | 0.0° |
| C9 | C13 | N14 | H11 | 97.2° | 93.6° |
| C9 | C13 | C22 | H21 | 61.3° | 55.0° |
| C9 | C13 | C22 | H22 | 58.8° | 65.0° |
| O20 | C18 | C16 | H13 | 118.5° | 120.1° |
| O20 | C18 | C16 | C15 | 167.0° | 55.0° |
| O20 | C18 | C16 | N19 | 43.3° | 64.9° |
| O20 | C18 | C16 | H12 | 75.9° | 175.0° |
| O20 | C18 | C21 | H18 | 180.0° | 60.1° |
| O20 | C18 | C21 | H19 | 60.0° | 180.0° |
| O20 | C18 | C21 | H20 | 60.0° | 60.0° |
| C18 | C16 | C15 | O17 | 71.6° | 100.0° |
| C18 | C16 | C15 | N19 | 125.5° | 120.0° |
| C18 | C16 | C15 | H12 | 117.1° | 120.0° |
| C18 | C16 | C15 | N14 | 108.3° | 80.0° |
| C18 | C16 | N19 | H12 | 118.6° | 120.1° |
| C18 | C16 | N19 | H14 | 180.0° | 176.0° |
| C18 | C16 | N19 | H15 | 60.0° | 59.9° |
| C16 | C18 | O20 | H17 | 56.4° | 60.0° |
| C16 | C18 | C21 | H18 | 58.8° | 180.0° |
| C16 | C18 | C21 | H19 | 61.2° | 60.0° |
| C16 | C18 | C21 | H20 | 178.9° | 60.0° |
| O17 | C15 | C16 | N14 | 179.9° | 180.0° |
| O17 | C15 | N14 | C13 | 1.8° | 4.9° |
| O17 | C15 | C16 | N19 | 53.9° | 20.0° |
| O17 | C15 | N14 | H11 | 178.2° | 175.0° |
| O17 | C15 | C16 | H12 | 171.3° | 140.0° |
| C16 | C15 | N14 | C13 | 178.1° | 175.0° |
| C15 | C16 | N19 | H12 | 116.8° | 120.0° |
| C16 | C15 | N14 | H11 | 1.9° | 5.0° |
| C15 | C16 | C18 | H13 | 48.5° | 65.0° |
| C15 | C16 | N19 | H14 | 55.5° | 64.0° |
| C15 | C16 | N19 | H15 | 64.5° | 60.0° |
| C15 | N14 | C13 | H11 | 180.0° | 180.0° |
| C15 | N14 | C13 | C22 | 155.7° | 153.6° |
| N14 | C15 | C16 | N19 | 126.2° | 160.0° |
| C15 | N14 | C13 | H10 | 37.1° | 33.6° |
| N14 | C15 | C16 | H12 | 8.8° | 40.0° |
| N14 | C13 | C22 | H10 | 119.1° | 120.0° |
| N14 | C13 | C22 | N23 | 57.6° | 54.9° |
| N14 | C13 | C22 | H21 | 62.4° | 65.0° |
| N14 | C13 | C22 | H22 | 177.5° | 175.0° |
| C13 | C22 | N23 | H21 | 120.0° | 120.0° |
| C13 | C22 | N23 | H22 | 120.0° | 120.0° |
| C13 | C22 | N23 | C24 | 99.3° | 180.0° |
| C22 | C13 | N14 | H11 | 24.4° | 26.4° |
| C13 | C22 | H21 | H22 | 120.0° | 120.0° |
| C13 | C22 | N23 | H23 | 80.7° | 0.0° |
| N19 | C16 | C18 | H13 | 75.1° | 175.0° |
| C16 | N19 | H14 | H15 | 120.0° | 124.0° |
| C22 | N23 | C24 | H23 | 180.0° | 180.0° |
| C22 | N23 | C24 | O40 | 5.9° | 0.0° |
| C22 | N23 | C24 | C25 | 174.4° | 180.0° |
| N23 | C22 | C13 | H10 | 61.5° | 65.0° |
| N23 | C22 | H21 | H22 | 120.1° | 120.0° |
| N23 | C24 | O40 | C25 | 179.7° | 180.0° |
| N23 | C24 | C25 | C26 | 173.1° | 180.0° |
| C24 | N23 | C22 | H21 | 140.8° | 60.0° |
| C24 | N23 | C22 | H22 | 20.7° | 60.0° |
| N23 | C24 | C25 | H24 | 66.4° | 60.0° |
| N23 | C24 | C25 | H25 | 52.6° | 60.0° |
| O40 | C24 | C25 | C26 | 7.2° | 0.0° |
| O40 | C24 | N23 | H23 | 174.1° | 180.0° |
| O40 | C24 | C25 | H24 | 113.3° | 120.0° |
| O40 | C24 | C25 | H25 | 127.7° | 120.0° |
| C24 | C25 | C26 | H24 | 120.5° | 120.0° |
| C24 | C25 | C26 | H25 | 120.5° | 120.0° |
| C24 | C25 | C26 | N27 | 70.3° | 180.0° |
| C25 | C24 | N23 | H23 | 5.6° | 0.0° |
| C24 | C25 | H24 | H25 | 118.4° | 120.0° |
| C24 | C25 | C26 | H26 | 169.3° | 59.9° |
| C24 | C25 | C26 | H27 | 50.2° | 60.0° |
| C25 | C26 | N27 | C28 | 108.5° | 89.7° |
| C25 | C26 | N27 | H26 | 120.4° | 120.0° |
| C25 | C26 | N27 | H27 | 120.5° | 120.0° |
| C25 | C26 | N27 | C32 | 70.8° | 90.0° |
| C26 | C25 | H24 | H25 | 118.4° | 120.0° |
| C25 | C26 | H26 | H27 | 118.7° | 120.0° |
| N29 | C28 | N27 | H28 | 180.0° | 179.9° |
| C28 | N29 | C30 | C33 | 179.2° | 179.9° |
| C28 | N29 | C30 | C31 | 0.2° | 0.1° |
| N29 | C28 | N27 | C26 | 178.9° | 180.0° |
| N29 | C28 | N27 | C32 | 0.4° | 0.2° |
| C30 | N29 | C28 | N27 | 0.0° | 0.1° |
| N29 | C30 | C33 | C31 | 179.4° | 180.0° |
| N29 | C30 | C33 | C34 | 179.3° | 180.0° |
| N29 | C30 | C31 | C32 | 0.7° | 0.2° |
| N29 | C30 | C31 | C36 | 179.6° | 180.0° |
| C30 | N29 | C28 | H28 | 180.0° | 180.0° |
| N29 | C30 | C33 | H29 | 0.7° | 0.0° |
| C28 | N27 | C26 | C32 | 179.3° | 179.8° |
| C28 | N27 | C32 | C31 | 0.8° | 0.4° |
| C28 | N27 | C32 | O37 | 178.1° | 179.7° |
| C28 | N27 | C26 | H26 | 131.1° | 150.2° |
| C28 | N27 | C26 | H27 | 11.9° | 30.2° |
| C30 | C33 | C34 | H29 | 180.0° | 180.0° |
| C30 | C33 | C34 | BR1 | 176.7° | 180.0° |
| C30 | C33 | C34 | C35 | 1.3° | 0.0° |
| C33 | C30 | C31 | C32 | 178.7° | 179.9° |
| C33 | C30 | C31 | C36 | 1.0° | 0.0° |
| C34 | C33 | C30 | C31 | 0.1° | 0.0° |
| C33 | C34 | BR1 | C35 | 178.0° | 180.0° |
| C33 | C34 | C35 | C36 | 1.5° | 0.0° |
| C33 | C34 | C35 | CL1 | 177.8° | 180.0° |
| C30 | C31 | C32 | N27 | 0.9° | 0.4° |
| C30 | C31 | C32 | C36 | 179.7° | 179.9° |
| C30 | C31 | C32 | O37 | 177.9° | 179.7° |
| C30 | C31 | C36 | C35 | 0.8° | 0.0° |
| C31 | C30 | C33 | H29 | 179.9° | 180.0° |
| C30 | C31 | C36 | H30 | 179.2° | 180.0° |
| BR1 | C34 | C35 | C36 | 176.5° | 180.0° |
| BR1 | C34 | C35 | CL1 | 4.2° | 0.0° |
| BR1 | C34 | C33 | H29 | 3.3° | 0.0° |
| C34 | C35 | C36 | C31 | 0.4° | 0.0° |
| C34 | C35 | C36 | CL1 | 179.3° | 180.0° |
| C35 | C34 | C33 | H29 | 178.7° | 180.0° |
| C34 | C35 | C36 | H30 | 179.6° | 180.0° |
| C26 | N27 | C32 | C31 | 178.5° | 179.8° |
| C26 | N27 | C32 | O37 | 2.6° | 0.1° |
| N27 | C26 | C25 | H24 | 50.2° | 60.0° |
| N27 | C26 | C25 | H25 | 169.2° | 60.0° |
| N27 | C26 | H26 | H27 | 118.7° | 120.0° |
| C26 | N27 | C28 | H28 | 1.1° | 0.0° |
| N27 | C32 | C31 | O37 | 178.8° | 179.9° |
| N27 | C32 | C31 | C36 | 179.4° | 179.8° |
| C32 | N27 | C26 | H26 | 49.6° | 30.0° |
| C32 | N27 | C26 | H27 | 168.8° | 150.0° |
| C32 | N27 | C28 | H28 | 179.6° | 179.7° |
| C32 | C31 | C36 | C35 | 178.9° | 179.9° |
| C32 | C31 | C36 | H30 | 1.1° | 0.2° |
| C36 | C31 | C32 | O37 | 1.8° | 0.1° |
| C31 | C36 | C35 | H30 | 180.0° | 180.0° |
| C31 | C36 | C35 | CL1 | 178.9° | 180.0° |
| CL1 | C35 | C36 | H30 | 1.1° | 0.0° |
| H1 | C1 | C2 | H2 | 0.5° | 0.3° |
| H1 | C1 | C6 | H5 | 0.3° | 0.3° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| H7 | C10 | C11 | H8 | 0.2° | 0.1° |
| H8 | C11 | C12 | H9 | 0.3° | 0.4° |
| H10 | C13 | N14 | H11 | 142.9° | 146.4° |
| H10 | C13 | C22 | H21 | 178.5° | 175.0° |
| H10 | C13 | C22 | H22 | 58.5° | 55.0° |
| H12 | C16 | C18 | H13 | 165.7° | 55.0° |
| H12 | C16 | N19 | H14 | 61.4° | 56.0° |
| H12 | C16 | N19 | H15 | 178.6° | 180.0° |
| H13 | C18 | O20 | H17 | 61.2° | 180.0° |
| H13 | C18 | C21 | H18 | 60.6° | 60.0° |
| H13 | C18 | C21 | H19 | 179.4° | 60.0° |
| H13 | C18 | C21 | H20 | 59.5° | 179.9° |
| H18 | C21 | H19 | H20 | 120.0° | 120.0° |
| H21 | C22 | N23 | H23 | 39.3° | 120.0° |
| H22 | C22 | N23 | H23 | 159.3° | 120.0° |
| H24 | C25 | C26 | H26 | 70.2° | 180.0° |
| H24 | C25 | C26 | H27 | 170.7° | 60.0° |
| H25 | C25 | C26 | H26 | 48.8° | 60.0° |
| H25 | C25 | C26 | H27 | 70.3° | 180.0° |
