9I6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C38 | sing | 1.74Å | 1.73Å | |
| BR1 | C39 | sing | 1.89Å | 1.90Å | |
| C38 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| N30 | C25 | sing | 1.47Å | 1.46Å | |
| O29 | C27 | sing | 1.43Å | 1.43Å | |
| C37 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| O26 | C24 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | doub | 1.41Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.47Å | 1.47Å | |
| C40 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | N18 | sing | 1.35Å | 1.35Å | |
| O43 | C32 | doub | 1.22Å | 1.22Å | |
| C34 | N35 | sing | 1.36Å | 1.40Å | |
| C32 | N31 | sing | 1.35Å | 1.39Å | |
| N18 | C17 | sing | 1.47Å | 1.47Å | |
| N18 | C19 | sing | 1.47Å | 1.47Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| N35 | C36 | doub | 1.30Å | 1.28Å | |
| N31 | C36 | sing | 1.36Å | 1.37Å | |
| N31 | C23 | sing | 1.46Å | 1.47Å | |
| C17 | C13 | sing | 1.51Å | 1.51Å | |
| N8 | C9 | sing | 1.34Å | 1.35Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C11 | C5 | sing | 1.48Å | 1.49Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C2 | sing | 1.47Å | 1.48Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| O29 | H26 | sing | 0.97Å | 0.95Å | |
| N30 | H27 | sing | 1.01Å | 1.00Å | |
| N30 | H28 | sing | 1.01Å | 1.00Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C40 | H32 | sing | 1.08Å | 1.08Å | |
| N8 | H29 | sing | 0.97Å | 1.00Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C38 | C37 | 118.3° | 119.8° |
| CL1 | C38 | C39 | 121.4° | 119.7° |
| BR1 | C39 | C38 | 120.9° | 119.6° |
| BR1 | C39 | C40 | 118.6° | 119.6° |
| C37 | C38 | C39 | 120.3° | 120.5° |
| C38 | C37 | C33 | 119.7° | 119.5° |
| C38 | C37 | H31 | 120.2° | 120.2° |
| C38 | C39 | C40 | 120.5° | 120.8° |
| N30 | C25 | C27 | 111.3° | 109.5° |
| N30 | C25 | C24 | 109.2° | 109.5° |
| N30 | C25 | H21 | 109.0° | 109.5° |
| C25 | N30 | H27 | 109.5° | 111.0° |
| C25 | N30 | H28 | 109.5° | 111.0° |
| O29 | C27 | C25 | 108.8° | 109.5° |
| O29 | C27 | C28 | 109.8° | 109.5° |
| O29 | C27 | H22 | 109.3° | 109.5° |
| C27 | O29 | H26 | 109.5° | 114.0° |
| C37 | C33 | C34 | 120.4° | 120.2° |
| C37 | C33 | C32 | 120.0° | 121.9° |
| C33 | C37 | H31 | 120.1° | 120.3° |
| C39 | C40 | C34 | 119.7° | 119.7° |
| C39 | C40 | H32 | 120.2° | 120.1° |
| C25 | C27 | C28 | 112.7° | 109.4° |
| C27 | C25 | C24 | 111.2° | 109.5° |
| C27 | C25 | H21 | 108.0° | 109.5° |
| C25 | C27 | H22 | 108.0° | 109.5° |
| C28 | C27 | H22 | 108.2° | 109.5° |
| C27 | C28 | H23 | 109.5° | 109.5° |
| C27 | C28 | H24 | 109.5° | 109.4° |
| C27 | C28 | H25 | 109.5° | 109.5° |
| O26 | C24 | C25 | 118.8° | 120.0° |
| O26 | C24 | N18 | 121.4° | 120.0° |
| C25 | C24 | N18 | 119.7° | 120.0° |
| C24 | C25 | H21 | 108.1° | 109.4° |
| C34 | C33 | C32 | 119.5° | 118.0° |
| C33 | C34 | C40 | 119.5° | 119.4° |
| C33 | C34 | N35 | 122.1° | 119.1° |
| C33 | C32 | O43 | 124.8° | 121.3° |
| C33 | C32 | N31 | 113.9° | 117.4° |
| C40 | C34 | N35 | 118.4° | 121.6° |
| C34 | C40 | H32 | 120.2° | 120.2° |
| C24 | N18 | C17 | 117.7° | 120.0° |
| C24 | N18 | C19 | 125.4° | 120.0° |
| O43 | C32 | N31 | 121.2° | 121.3° |
| C34 | N35 | C36 | 116.4° | 121.6° |
| C32 | N31 | C36 | 121.6° | 120.6° |
| C32 | N31 | C23 | 117.3° | 119.7° |
| C17 | N18 | C19 | 116.9° | 120.0° |
| N18 | C17 | C13 | 114.6° | 109.5° |
| N18 | C17 | H9 | 108.2° | 109.4° |
| N18 | C17 | H10 | 108.2° | 109.5° |
| N18 | C19 | C20 | 115.4° | 109.5° |
| N18 | C19 | H11 | 108.0° | 109.5° |
| N18 | C19 | H12 | 108.0° | 109.5° |
| N8 | C7 | C1 | 101.6° | 106.2° |
| C7 | N8 | C9 | 114.2° | 108.8° |
| N8 | C7 | H4 | 111.4° | 110.1° |
| C7 | N8 | H29 | 122.9° | 125.6° |
| N8 | C7 | H33 | 111.4° | 110.1° |
| C7 | C1 | C6 | 130.5° | 133.1° |
| C7 | C1 | C2 | 109.4° | 106.4° |
| C1 | C7 | H4 | 111.4° | 110.3° |
| C1 | C7 | H33 | 111.4° | 109.9° |
| N35 | C36 | N31 | 126.3° | 123.4° |
| N35 | C36 | H30 | 116.9° | 118.3° |
| C36 | N31 | C23 | 121.0° | 119.7° |
| N31 | C36 | H30 | 116.8° | 118.3° |
| N31 | C23 | C22 | 113.4° | 109.5° |
| N31 | C23 | H19 | 108.5° | 109.5° |
| N31 | C23 | H20 | 108.5° | 109.5° |
| C17 | C13 | C12 | 120.2° | 119.9° |
| C17 | C13 | C14 | 121.1° | 120.0° |
| C13 | C17 | H9 | 108.2° | 109.5° |
| C13 | C17 | H10 | 108.2° | 109.5° |
| N8 | C9 | C2 | 106.2° | 110.3° |
| N8 | C9 | O10 | 125.6° | 124.8° |
| C9 | N8 | H29 | 122.9° | 125.6° |
| C13 | C12 | C11 | 122.0° | 119.9° |
| C12 | C13 | C14 | 118.5° | 120.1° |
| C13 | C12 | H5 | 119.0° | 120.1° |
| C12 | C11 | C5 | 120.9° | 120.2° |
| C12 | C11 | C16 | 117.9° | 119.8° |
| C11 | C12 | H5 | 119.0° | 120.1° |
| C1 | C6 | C5 | 121.0° | 119.9° |
| C6 | C1 | C2 | 120.1° | 120.5° |
| C1 | C6 | H3 | 119.5° | 120.1° |
| C6 | C5 | C11 | 121.0° | 120.1° |
| C6 | C5 | C4 | 117.9° | 119.9° |
| C5 | C6 | H3 | 119.5° | 120.0° |
| C1 | C2 | C9 | 108.6° | 108.3° |
| C1 | C2 | C3 | 119.9° | 119.5° |
| C19 | C20 | C21 | 115.5° | 109.5° |
| C20 | C19 | H11 | 108.0° | 109.5° |
| C20 | C19 | H12 | 107.9° | 109.5° |
| C19 | C20 | H13 | 107.9° | 109.5° |
| C19 | C20 | H14 | 107.9° | 109.4° |
| C13 | C14 | C15 | 120.6° | 120.3° |
| C13 | C14 | H6 | 119.7° | 119.8° |
| C20 | C21 | C22 | 111.9° | 109.5° |
| C21 | C20 | H13 | 107.9° | 109.5° |
| C21 | C20 | H14 | 107.9° | 109.5° |
| C20 | C21 | H15 | 108.9° | 109.5° |
| C20 | C21 | H16 | 108.8° | 109.5° |
| C21 | C22 | C23 | 115.0° | 109.5° |
| C22 | C21 | H15 | 108.8° | 109.4° |
| C22 | C21 | H16 | 108.9° | 109.5° |
| C21 | C22 | H17 | 108.1° | 109.4° |
| C21 | C22 | H18 | 108.1° | 109.5° |
| C5 | C11 | C16 | 121.2° | 120.0° |
| C11 | C5 | C4 | 121.1° | 119.9° |
| C11 | C16 | C15 | 120.7° | 119.8° |
| C11 | C16 | H8 | 119.7° | 120.1° |
| C23 | C22 | H17 | 108.1° | 109.5° |
| C23 | C22 | H18 | 108.0° | 109.5° |
| C22 | C23 | H19 | 108.5° | 109.5° |
| C22 | C23 | H20 | 108.5° | 109.4° |
| C5 | C4 | C3 | 121.4° | 120.2° |
| C5 | C4 | H2 | 119.3° | 120.0° |
| C2 | C9 | O10 | 128.2° | 124.9° |
| C9 | C2 | C3 | 131.5° | 132.2° |
| C14 | C15 | C16 | 120.3° | 120.1° |
| C15 | C14 | H6 | 119.7° | 119.9° |
| C14 | C15 | H7 | 119.8° | 119.9° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | H1 | 120.1° | 120.0° |
| C16 | C15 | H7 | 119.8° | 119.9° |
| C15 | C16 | H8 | 119.7° | 120.0° |
| C4 | C3 | H1 | 120.1° | 120.0° |
| C3 | C4 | H2 | 119.3° | 119.9° |
| H4 | C7 | H33 | 109.5° | 110.2° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H25 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.5° |
| H27 | N30 | H28 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C38 | C39 | BR1 | 0.4° | 0.0° |
| CL1 | C38 | C37 | C39 | 178.9° | 180.0° |
| CL1 | C38 | C37 | C33 | 178.3° | 180.0° |
| CL1 | C38 | C39 | C40 | 179.0° | 180.0° |
| CL1 | C38 | C37 | H31 | 1.8° | 0.1° |
| BR1 | C39 | C38 | C37 | 178.4° | 180.0° |
| BR1 | C39 | C38 | C40 | 178.6° | 180.0° |
| BR1 | C39 | C40 | C34 | 177.8° | 179.9° |
| BR1 | C39 | C40 | H32 | 2.2° | 0.0° |
| C38 | C37 | C33 | H31 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C38 | C37 | C33 | C34 | 0.8° | 0.0° |
| C38 | C37 | C33 | C32 | 177.7° | 180.0° |
| C39 | C38 | C37 | C33 | 0.6° | 0.0° |
| C38 | C39 | C40 | C34 | 0.8° | 0.0° |
| C39 | C38 | C37 | H31 | 179.4° | 179.9° |
| C38 | C39 | C40 | H32 | 179.3° | 180.0° |
| N30 | C25 | C27 | O29 | 39.4° | 57.3° |
| N30 | C25 | C27 | C24 | 122.0° | 120.0° |
| N30 | C25 | C27 | H21 | 119.6° | 120.0° |
| N30 | C25 | C27 | C28 | 161.3° | 62.7° |
| N30 | C25 | C24 | O26 | 48.7° | 14.9° |
| N30 | C25 | C24 | H21 | 118.5° | 120.0° |
| N30 | C25 | C24 | N18 | 130.9° | 165.2° |
| N30 | C25 | C27 | H22 | 79.2° | 177.3° |
| C25 | N30 | H27 | H28 | 120.0° | 124.0° |
| O29 | C27 | C25 | C28 | 122.0° | 120.0° |
| O29 | C27 | C25 | H22 | 118.6° | 120.0° |
| O29 | C27 | C28 | H22 | 119.3° | 120.0° |
| O29 | C27 | C25 | C24 | 161.4° | 62.7° |
| O29 | C27 | C25 | H21 | 80.2° | 177.4° |
| O29 | C27 | C28 | H23 | 180.0° | 60.0° |
| O29 | C27 | C28 | H24 | 60.0° | 60.0° |
| O29 | C27 | C28 | H25 | 60.0° | 180.0° |
| C37 | C33 | C34 | C32 | 178.5° | 180.0° |
| C37 | C33 | C34 | C40 | 0.2° | 0.0° |
| C37 | C33 | C32 | O43 | 1.7° | 0.0° |
| C37 | C33 | C34 | N35 | 178.7° | 180.0° |
| C37 | C33 | C32 | N31 | 178.1° | 180.0° |
| C39 | C40 | C34 | C33 | 0.6° | 0.1° |
| C39 | C40 | C34 | H32 | 180.0° | 179.9° |
| C39 | C40 | C34 | N35 | 178.0° | 180.0° |
| C25 | C27 | C28 | H22 | 119.3° | 120.0° |
| C27 | C25 | C24 | O26 | 74.6° | 105.1° |
| C27 | C25 | C24 | H21 | 118.3° | 120.0° |
| C27 | C25 | C24 | N18 | 105.9° | 74.8° |
| C25 | C27 | C28 | H23 | 58.6° | 60.0° |
| C25 | C27 | C28 | H24 | 61.4° | 180.0° |
| C25 | C27 | C28 | H25 | 178.6° | 60.0° |
| C25 | C27 | O29 | H26 | 180.0° | 60.0° |
| C27 | C25 | N30 | H27 | 180.0° | 60.0° |
| C27 | C25 | N30 | H28 | 60.0° | 64.0° |
| C28 | C27 | C25 | C24 | 76.6° | 177.3° |
| C28 | C27 | C25 | H21 | 41.7° | 57.3° |
| C27 | C28 | H23 | H24 | 120.0° | 119.9° |
| C27 | C28 | H23 | H25 | 120.0° | 120.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.0° |
| C28 | C27 | O29 | H26 | 56.3° | 60.0° |
| O26 | C24 | C25 | N18 | 179.6° | 179.9° |
| O26 | C24 | N18 | C17 | 3.1° | 4.9° |
| O26 | C24 | N18 | C19 | 176.4° | 175.1° |
| O26 | C24 | C25 | H21 | 167.1° | 134.9° |
| C25 | C24 | N18 | C17 | 177.4° | 175.2° |
| C25 | C24 | N18 | C19 | 3.2° | 4.8° |
| C24 | C25 | C27 | H22 | 42.8° | 57.3° |
| C24 | C25 | N30 | H27 | 56.9° | 60.0° |
| C24 | C25 | N30 | H28 | 63.2° | 176.0° |
| C33 | C34 | C40 | N35 | 178.5° | 180.0° |
| C34 | C33 | C32 | O43 | 179.8° | 180.0° |
| C34 | C33 | C32 | N31 | 0.4° | 0.0° |
| C33 | C34 | N35 | C36 | 0.6° | 0.1° |
| C34 | C33 | C37 | H31 | 179.2° | 179.9° |
| C33 | C34 | C40 | H32 | 179.4° | 180.0° |
| C32 | C33 | C34 | C40 | 178.3° | 180.0° |
| C33 | C32 | O43 | N31 | 179.7° | 180.0° |
| C32 | C33 | C34 | N35 | 0.2° | 0.0° |
| C33 | C32 | N31 | C36 | 0.7° | 0.0° |
| C33 | C32 | N31 | C23 | 177.2° | 179.7° |
| C32 | C33 | C37 | H31 | 2.3° | 0.0° |
| C40 | C34 | N35 | C36 | 177.9° | 180.0° |
| C24 | N18 | C17 | C19 | 179.5° | 180.0° |
| C24 | N18 | C17 | C13 | 75.9° | 90.0° |
| C24 | N18 | C19 | C20 | 136.4° | 95.7° |
| C24 | N18 | C17 | H9 | 44.8° | 150.0° |
| C24 | N18 | C17 | H10 | 163.3° | 30.0° |
| C24 | N18 | C19 | H11 | 15.5° | 24.3° |
| C24 | N18 | C19 | H12 | 102.8° | 144.3° |
| N18 | C24 | C25 | H21 | 12.4° | 45.2° |
| O43 | C32 | N31 | C36 | 179.6° | 180.0° |
| O43 | C32 | N31 | C23 | 2.6° | 0.3° |
| C34 | N35 | C36 | N31 | 0.3° | 0.1° |
| C34 | N35 | C36 | H30 | 179.7° | 179.7° |
| N35 | C34 | C40 | H32 | 2.0° | 0.1° |
| C32 | N31 | C36 | N35 | 0.3° | 0.0° |
| C32 | N31 | C36 | C23 | 177.8° | 179.7° |
| C32 | N31 | C23 | C22 | 133.7° | 89.7° |
| C32 | N31 | C23 | H19 | 105.7° | 150.3° |
| C32 | N31 | C23 | H20 | 13.1° | 30.3° |
| C32 | N31 | C36 | H30 | 179.7° | 179.7° |
| N18 | C17 | C13 | H9 | 120.8° | 120.0° |
| N18 | C17 | C13 | H10 | 120.8° | 120.0° |
| N18 | C17 | C13 | C12 | 149.9° | 90.1° |
| C17 | N18 | C19 | C20 | 43.1° | 84.3° |
| N18 | C17 | C13 | C14 | 35.7° | 90.0° |
| N18 | C17 | H9 | H10 | 117.7° | 120.0° |
| C17 | N18 | C19 | H11 | 164.0° | 155.7° |
| C17 | N18 | C19 | H12 | 77.7° | 35.7° |
| C19 | N18 | C17 | C13 | 104.6° | 90.0° |
| N18 | C19 | C20 | H11 | 120.9° | 120.0° |
| N18 | C19 | C20 | H12 | 120.9° | 120.0° |
| N18 | C19 | C20 | C21 | 54.5° | 180.0° |
| C19 | N18 | C17 | H9 | 134.7° | 30.0° |
| C19 | N18 | C17 | H10 | 16.2° | 150.0° |
| N18 | C19 | H11 | H12 | 117.3° | 120.0° |
| N18 | C19 | C20 | H13 | 175.4° | 60.0° |
| N18 | C19 | C20 | H14 | 66.3° | 60.0° |
| N8 | C7 | C1 | H4 | 118.7° | 119.3° |
| N8 | C7 | C1 | H33 | 118.7° | 119.1° |
| C7 | N8 | C9 | H29 | 180.0° | 179.8° |
| N8 | C7 | C1 | C6 | 179.4° | 179.7° |
| N8 | C7 | C1 | C2 | 0.7° | 0.0° |
| C7 | N8 | C9 | C2 | 0.4° | 0.4° |
| C7 | N8 | C9 | O10 | 177.6° | 180.0° |
| N8 | C7 | H4 | H33 | 123.7° | 121.6° |
| C1 | C7 | N8 | C9 | 0.1° | 0.2° |
| C7 | C1 | C6 | C2 | 179.9° | 179.6° |
| C7 | C1 | C6 | C5 | 179.4° | 179.7° |
| C7 | C1 | C2 | C9 | 0.9° | 0.2° |
| C7 | C1 | C2 | C3 | 179.0° | 179.8° |
| C7 | C1 | C6 | H3 | 0.6° | 0.4° |
| C1 | C7 | H4 | H33 | 123.7° | 121.5° |
| C1 | C7 | N8 | H29 | 179.8° | 180.0° |
| N35 | C36 | N31 | H30 | 180.0° | 179.7° |
| N35 | C36 | N31 | C23 | 177.5° | 179.7° |
| C36 | N31 | C23 | C22 | 48.4° | 90.0° |
| C36 | N31 | C23 | H19 | 72.1° | 30.0° |
| C36 | N31 | C23 | H20 | 169.0° | 150.0° |
| N31 | C23 | C22 | C21 | 57.6° | 179.9° |
| N31 | C23 | C22 | H19 | 120.6° | 120.1° |
| N31 | C23 | C22 | H20 | 120.6° | 120.0° |
| N31 | C23 | C22 | H17 | 178.4° | 59.9° |
| N31 | C23 | C22 | H18 | 63.2° | 60.0° |
| N31 | C23 | H19 | H20 | 118.2° | 120.0° |
| C23 | N31 | C36 | H30 | 2.5° | 0.0° |
| C17 | C13 | C12 | C14 | 174.5° | 179.9° |
| C17 | C13 | C12 | C11 | 171.5° | 180.0° |
| C17 | C13 | C14 | C15 | 173.2° | 179.9° |
| C17 | C13 | C12 | H5 | 8.5° | 0.1° |
| C17 | C13 | C14 | H6 | 6.8° | 0.1° |
| C13 | C17 | H9 | H10 | 117.6° | 120.0° |
| N8 | C9 | C2 | C1 | 0.8° | 0.4° |
| N8 | C9 | C2 | O10 | 178.0° | 179.6° |
| N8 | C9 | C2 | C3 | 179.1° | 179.6° |
| C9 | N8 | C7 | H4 | 118.8° | 119.2° |
| C9 | N8 | C7 | H33 | 118.6° | 119.1° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | C5 | 175.0° | 179.9° |
| C13 | C12 | C11 | C16 | 3.0° | 0.2° |
| C12 | C13 | C14 | C15 | 1.2° | 0.0° |
| C12 | C13 | C14 | H6 | 178.8° | 180.0° |
| C12 | C13 | C17 | H9 | 29.2° | 150.0° |
| C12 | C13 | C17 | H10 | 89.3° | 29.9° |
| C12 | C11 | C5 | C6 | 2.9° | 179.7° |
| C11 | C12 | C13 | C14 | 3.0° | 0.1° |
| C12 | C11 | C5 | C16 | 178.0° | 179.7° |
| C12 | C11 | C5 | C4 | 177.3° | 0.3° |
| C12 | C11 | C16 | C15 | 1.3° | 0.6° |
| C12 | C11 | C16 | H8 | 178.7° | 179.8° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C11 | 179.5° | 179.9° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C6 | C1 | C2 | C9 | 179.1° | 179.9° |
| C6 | C1 | C2 | C3 | 1.0° | 0.1° |
| C6 | C1 | C7 | H4 | 60.7° | 61.1° |
| C6 | C1 | C7 | H33 | 61.9° | 60.6° |
| C5 | C6 | C1 | C2 | 0.5° | 0.1° |
| C6 | C5 | C11 | C4 | 179.8° | 180.0° |
| C6 | C5 | C11 | C16 | 179.1° | 0.0° |
| C6 | C5 | C4 | C3 | 1.5° | 0.1° |
| C6 | C5 | C4 | H2 | 178.5° | 180.0° |
| C1 | C2 | C9 | C3 | 179.9° | 180.0° |
| C1 | C2 | C9 | O10 | 177.1° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H1 | 179.8° | 179.9° |
| C2 | C1 | C6 | H3 | 179.5° | 180.0° |
| C2 | C1 | C7 | H4 | 119.4° | 119.3° |
| C2 | C1 | C7 | H33 | 118.0° | 119.0° |
| C19 | C20 | C21 | H13 | 120.9° | 120.0° |
| C19 | C20 | C21 | H14 | 120.9° | 120.0° |
| C19 | C20 | C21 | C22 | 176.3° | 180.0° |
| C20 | C19 | H11 | H12 | 117.3° | 120.0° |
| C19 | C20 | H13 | H14 | 117.3° | 119.9° |
| C19 | C20 | C21 | H15 | 63.4° | 60.0° |
| C19 | C20 | C21 | H16 | 55.9° | 60.0° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.3° |
| C14 | C13 | C12 | H5 | 177.0° | 180.0° |
| C13 | C14 | C15 | H7 | 179.6° | 180.0° |
| C14 | C13 | C17 | H9 | 156.5° | 29.9° |
| C14 | C13 | C17 | H10 | 85.0° | 150.0° |
| C20 | C21 | C22 | H15 | 120.4° | 120.0° |
| C20 | C21 | C22 | H16 | 120.3° | 120.0° |
| C20 | C21 | C22 | C23 | 177.4° | 180.0° |
| C21 | C20 | C19 | H11 | 66.3° | 60.0° |
| C21 | C20 | C19 | H12 | 175.4° | 60.0° |
| C21 | C20 | H13 | H14 | 117.2° | 120.0° |
| C20 | C21 | H15 | H16 | 118.9° | 120.0° |
| C20 | C21 | C22 | H17 | 56.6° | 60.0° |
| C20 | C21 | C22 | H18 | 61.8° | 60.0° |
| C21 | C22 | C23 | H17 | 120.8° | 120.0° |
| C21 | C22 | C23 | H18 | 120.8° | 120.1° |
| C22 | C21 | C20 | H13 | 55.4° | 60.0° |
| C22 | C21 | C20 | H14 | 62.8° | 60.0° |
| C22 | C21 | H15 | H16 | 118.9° | 120.0° |
| C21 | C22 | H17 | H18 | 117.5° | 120.0° |
| C21 | C22 | C23 | H19 | 178.1° | 60.0° |
| C21 | C22 | C23 | H20 | 63.0° | 59.9° |
| C5 | C11 | C16 | C15 | 176.7° | 179.7° |
| C11 | C5 | C4 | C3 | 178.7° | 180.0° |
| C11 | C5 | C4 | H2 | 1.3° | 0.0° |
| C11 | C5 | C6 | H3 | 0.5° | 0.0° |
| C5 | C11 | C12 | H5 | 5.0° | 0.0° |
| C5 | C11 | C16 | H8 | 3.3° | 0.1° |
| C16 | C11 | C5 | C4 | 0.7° | 180.0° |
| C11 | C16 | C15 | C14 | 0.4° | 0.6° |
| C11 | C16 | C15 | H8 | 180.0° | 179.7° |
| C16 | C11 | C12 | H5 | 177.0° | 179.7° |
| C11 | C16 | C15 | H7 | 179.6° | 179.7° |
| C23 | C22 | C21 | H15 | 62.2° | 60.0° |
| C23 | C22 | C21 | H16 | 57.0° | 60.0° |
| C23 | C22 | H17 | H18 | 117.5° | 120.0° |
| C22 | C23 | H19 | H20 | 118.2° | 119.9° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 178.9° | 179.9° |
| C4 | C5 | C6 | H3 | 179.3° | 180.0° |
| C9 | C2 | C3 | C4 | 179.9° | 180.0° |
| C9 | C2 | C3 | H1 | 0.1° | 0.1° |
| C2 | C9 | N8 | H29 | 179.6° | 179.8° |
| O10 | C9 | C2 | C3 | 3.0° | 0.0° |
| O10 | C9 | N8 | H29 | 2.4° | 0.2° |
| C14 | C15 | C16 | H7 | 180.0° | 179.7° |
| C14 | C15 | C16 | H8 | 179.6° | 179.7° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | H2 | 179.0° | 180.0° |
| C16 | C15 | C14 | H6 | 179.5° | 179.7° |
| H1 | C3 | C4 | H2 | 1.0° | 0.0° |
| H4 | C7 | N8 | H29 | 61.1° | 60.6° |
| H6 | C14 | C15 | H7 | 0.4° | 0.0° |
| H7 | C15 | C16 | H8 | 0.4° | 0.1° |
| H11 | C19 | C20 | H13 | 54.5° | 180.0° |
| H11 | C19 | C20 | H14 | 172.8° | 60.0° |
| H12 | C19 | C20 | H13 | 63.7° | 60.0° |
| H12 | C19 | C20 | H14 | 54.5° | 179.9° |
| H13 | C20 | C21 | H15 | 175.8° | 180.0° |
| H13 | C20 | C21 | H16 | 65.0° | 60.0° |
| H14 | C20 | C21 | H15 | 57.5° | 60.0° |
| H14 | C20 | C21 | H16 | 176.8° | 180.0° |
| H15 | C21 | C22 | H17 | 177.0° | 180.0° |
| H15 | C21 | C22 | H18 | 58.5° | 60.1° |
| H16 | C21 | C22 | H17 | 63.8° | 60.0° |
| H16 | C21 | C22 | H18 | 177.8° | 180.0° |
| H17 | C22 | C23 | H19 | 61.1° | 180.0° |
| H17 | C22 | C23 | H20 | 57.8° | 60.0° |
| H18 | C22 | C23 | H19 | 57.3° | 60.1° |
| H18 | C22 | C23 | H20 | 176.2° | 180.0° |
| H21 | C25 | C27 | H22 | 161.2° | 62.6° |
| H21 | C25 | N30 | H27 | 61.0° | 180.0° |
| H21 | C25 | N30 | H28 | 179.0° | 56.1° |
| H22 | C27 | C28 | H23 | 60.7° | 180.0° |
| H22 | C27 | C28 | H24 | 179.3° | 60.0° |
| H22 | C27 | C28 | H25 | 59.3° | 60.0° |
| H22 | C27 | O29 | H26 | 62.3° | 180.0° |
| H23 | C28 | H24 | H25 | 120.0° | 120.1° |
| H29 | N8 | C7 | H33 | 61.4° | 61.0° |
