6XJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C9 | sing | 1.74Å | 1.73Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C | N | sing | 1.46Å | 1.45Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C10 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C8 | sing | 1.74Å | 1.74Å | |
| O1 | C11 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | N1 | sing | 1.46Å | 1.47Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.34Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N2 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | N2 | sing | 1.40Å | 1.43Å | |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C22 | sing | 1.35Å | 1.37Å | |
| O3 | C23 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C22 | O2 | doub | 1.21Å | 1.21Å | |
| C22 | C21 | sing | 1.50Å | 1.56Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N3 | sing | 1.35Å | 1.34Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C21 | N3 | sing | 1.46Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N4 | C25 | sing | 1.47Å | 1.47Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| BR | C30 | sing | 1.89Å | 1.90Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H25 | sing | 1.01Å | 1.00Å | |
| N4 | H26 | sing | 1.01Å | 1.00Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| N1 | H30 | sing | 0.97Å | 1.00Å | |
| N | H31 | sing | 0.97Å | 1.00Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C9 | C10 | 119.2° | 120.0° |
| CL | C9 | C8 | 120.1° | 120.1° |
| O | C1 | N | 122.8° | 120.0° |
| O | C1 | C2 | 121.6° | 120.0° |
| C | N | C1 | 122.5° | 120.0° |
| C | N | H31 | 118.8° | 119.9° |
| N | C | H32 | 109.5° | 109.4° |
| N | C | H33 | 109.5° | 109.5° |
| N | C | H34 | 109.4° | 109.5° |
| C10 | C9 | C8 | 120.6° | 120.0° |
| C9 | C10 | C5 | 120.4° | 120.0° |
| C9 | C10 | H5 | 119.8° | 120.0° |
| C9 | C8 | CL1 | 120.3° | 120.0° |
| C9 | C8 | C7 | 119.6° | 120.0° |
| N | C1 | C2 | 115.7° | 120.0° |
| C1 | N | H31 | 118.8° | 120.0° |
| C1 | C2 | C3 | 111.8° | 109.5° |
| C1 | C2 | H1 | 108.9° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C10 | C5 | C4 | 120.1° | 120.0° |
| C10 | C5 | C6 | 118.6° | 120.0° |
| C5 | C10 | H5 | 119.8° | 120.0° |
| CL1 | C8 | C7 | 120.1° | 120.0° |
| O1 | C11 | N1 | 123.0° | 120.0° |
| O1 | C11 | C12 | 119.6° | 120.0° |
| C8 | C7 | C6 | 119.8° | 119.9° |
| C8 | C7 | H4 | 120.1° | 120.1° |
| C2 | C3 | C4 | 109.7° | 109.4° |
| C2 | C3 | N1 | 108.4° | 109.5° |
| C3 | C2 | H1 | 108.9° | 109.5° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C4 | C3 | N1 | 112.0° | 109.5° |
| C3 | C4 | C5 | 115.0° | 109.4° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | H35 | 108.1° | 109.5° |
| C3 | C4 | H36 | 108.1° | 109.5° |
| C3 | N1 | C11 | 123.5° | 120.0° |
| N1 | C3 | H3 | 109.6° | 109.5° |
| C3 | N1 | H30 | 118.3° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C5 | C4 | H35 | 108.1° | 109.5° |
| C5 | C4 | H36 | 108.1° | 109.5° |
| C5 | C6 | C7 | 121.0° | 120.1° |
| C5 | C6 | H37 | 119.6° | 120.0° |
| N1 | C11 | C12 | 117.4° | 120.0° |
| C11 | N1 | H30 | 118.2° | 120.0° |
| C11 | C12 | N2 | 119.0° | 109.5° |
| C11 | C12 | H6 | 107.0° | 109.5° |
| C11 | C12 | H7 | 107.0° | 109.4° |
| C6 | C7 | H4 | 120.1° | 120.0° |
| C7 | C6 | H37 | 119.5° | 119.9° |
| C14 | C15 | C16 | 120.3° | 120.1° |
| C15 | C14 | C13 | 119.7° | 119.7° |
| C15 | C14 | H8 | 120.1° | 120.1° |
| C14 | C15 | H9 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.3° |
| C16 | C15 | H9 | 119.9° | 120.0° |
| C15 | C16 | H10 | 119.9° | 119.9° |
| C14 | C13 | N2 | 119.1° | 120.4° |
| C14 | C13 | C18 | 120.5° | 120.1° |
| C13 | C14 | H8 | 120.1° | 120.1° |
| C12 | N2 | C13 | 118.9° | 120.6° |
| C12 | N2 | C22 | 117.9° | 120.7° |
| N2 | C12 | H6 | 107.0° | 109.5° |
| N2 | C12 | H7 | 107.0° | 109.4° |
| C16 | C17 | C18 | 121.0° | 119.9° |
| C17 | C16 | H10 | 119.9° | 119.8° |
| C16 | C17 | H29 | 119.5° | 120.1° |
| N2 | C13 | C18 | 120.3° | 119.5° |
| C13 | N2 | C22 | 123.2° | 118.7° |
| C13 | C18 | C17 | 118.3° | 119.9° |
| C13 | C18 | C19 | 124.3° | 119.8° |
| N2 | C22 | O2 | 122.1° | 120.0° |
| N2 | C22 | C21 | 115.6° | 120.1° |
| O3 | C23 | N3 | 122.4° | 120.0° |
| O3 | C23 | C24 | 120.6° | 120.0° |
| C17 | C18 | C19 | 117.4° | 120.3° |
| C18 | C17 | H29 | 119.5° | 120.0° |
| C18 | C19 | C20 | 113.5° | 110.3° |
| C18 | C19 | H11 | 108.5° | 109.3° |
| C18 | C19 | H12 | 108.5° | 109.3° |
| O2 | C22 | C21 | 122.2° | 119.9° |
| C22 | C21 | N3 | 110.3° | 109.2° |
| C22 | C21 | C20 | 109.6° | 110.6° |
| C22 | C21 | H15 | 107.0° | 109.3° |
| C28 | C29 | C30 | 119.0° | 120.0° |
| C29 | C28 | C27 | 121.2° | 120.0° |
| C28 | C29 | H20 | 120.5° | 120.0° |
| C29 | C28 | H21 | 119.4° | 120.0° |
| C29 | C30 | BR | 119.2° | 120.0° |
| C29 | C30 | C31 | 121.3° | 120.0° |
| C30 | C29 | H20 | 120.5° | 120.0° |
| C28 | C27 | C26 | 120.6° | 120.0° |
| C28 | C27 | C32 | 118.5° | 120.1° |
| C27 | C28 | H21 | 119.4° | 120.0° |
| N3 | C23 | C24 | 117.1° | 120.0° |
| C23 | N3 | C21 | 120.8° | 120.0° |
| C23 | N3 | H28 | 119.6° | 120.0° |
| C23 | C24 | C25 | 111.0° | 109.5° |
| C23 | C24 | H16 | 109.1° | 109.4° |
| C23 | C24 | H17 | 109.1° | 109.5° |
| N3 | C21 | C20 | 114.2° | 109.2° |
| N3 | C21 | H15 | 108.2° | 109.3° |
| C21 | N3 | H28 | 119.6° | 120.0° |
| C21 | C20 | C19 | 112.5° | 109.5° |
| C21 | C20 | H13 | 108.7° | 109.5° |
| C21 | C20 | H14 | 108.7° | 109.5° |
| C20 | C21 | H15 | 107.3° | 109.2° |
| N4 | C25 | C24 | 112.9° | 109.5° |
| N4 | C25 | C26 | 111.9° | 109.5° |
| N4 | C25 | H24 | 107.0° | 109.4° |
| C25 | N4 | H25 | 109.5° | 111.0° |
| C25 | N4 | H26 | 109.5° | 111.0° |
| C24 | C25 | C26 | 112.1° | 109.5° |
| C25 | C24 | H16 | 109.1° | 109.5° |
| C25 | C24 | H17 | 109.1° | 109.5° |
| C24 | C25 | H24 | 106.3° | 109.5° |
| C25 | C26 | C27 | 112.5° | 109.5° |
| C25 | C26 | H22 | 108.7° | 109.5° |
| C25 | C26 | H23 | 108.7° | 109.5° |
| C26 | C25 | H24 | 106.2° | 109.4° |
| C20 | C19 | H11 | 108.5° | 109.3° |
| C20 | C19 | H12 | 108.4° | 109.3° |
| C19 | C20 | H13 | 108.7° | 109.4° |
| C19 | C20 | H14 | 108.7° | 109.5° |
| BR | C30 | C31 | 119.4° | 120.0° |
| C30 | C31 | C32 | 118.9° | 120.0° |
| C30 | C31 | H18 | 120.5° | 120.0° |
| C26 | C27 | C32 | 120.7° | 119.9° |
| C27 | C26 | H22 | 108.7° | 109.4° |
| C27 | C26 | H23 | 108.7° | 109.5° |
| C27 | C32 | C31 | 121.1° | 119.9° |
| C27 | C32 | H19 | 119.5° | 120.0° |
| C32 | C31 | H18 | 120.6° | 120.0° |
| C31 | C32 | H19 | 119.5° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.2° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.4° |
| H22 | C26 | H23 | 109.5° | 109.4° |
| H25 | N4 | H26 | 109.5° | 110.9° |
| H32 | C | H33 | 109.5° | 109.5° |
| H32 | C | H34 | 109.5° | 109.4° |
| H33 | C | H34 | 109.5° | 109.5° |
| H35 | C4 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C9 | C10 | C8 | 175.9° | 180.0° |
| CL | C9 | C10 | C5 | 172.9° | 180.0° |
| CL | C9 | C8 | CL1 | 2.1° | 0.0° |
| CL | C9 | C8 | C7 | 175.2° | 180.0° |
| CL | C9 | C10 | H5 | 7.0° | 0.1° |
| O | C1 | N | C | 4.4° | 0.3° |
| O | C1 | N | C2 | 178.8° | 179.7° |
| O | C1 | C2 | C3 | 48.7° | 5.7° |
| O | C1 | C2 | H1 | 169.1° | 114.4° |
| O | C1 | C2 | H2 | 71.6° | 125.6° |
| O | C1 | N | H31 | 175.6° | 179.8° |
| C | N | C1 | H31 | 180.0° | 179.9° |
| C | N | C1 | C2 | 174.3° | 180.0° |
| N | C | H32 | H33 | 120.0° | 120.0° |
| N | C | H32 | H34 | 120.0° | 120.0° |
| N | C | H33 | H34 | 120.0° | 120.1° |
| C9 | C10 | C5 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | CL1 | 178.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.7° | 0.0° |
| C9 | C10 | C5 | C4 | 173.2° | 180.0° |
| C9 | C10 | C5 | C6 | 3.4° | 0.1° |
| C8 | C9 | C10 | C5 | 3.0° | 0.1° |
| C9 | C8 | CL1 | C7 | 177.3° | 180.0° |
| C9 | C8 | C7 | C6 | 1.1° | 0.0° |
| C9 | C8 | C7 | H4 | 178.9° | 179.7° |
| C8 | C9 | C10 | H5 | 177.1° | 180.0° |
| N | C1 | C2 | C3 | 132.5° | 174.1° |
| N | C1 | C2 | H1 | 12.1° | 65.9° |
| N | C1 | C2 | H2 | 107.2° | 54.1° |
| C1 | N | C | H32 | 180.0° | 60.0° |
| C1 | N | C | H33 | 60.0° | 60.0° |
| C1 | N | C | H34 | 60.0° | 179.9° |
| C1 | C2 | C3 | H1 | 120.3° | 120.1° |
| C1 | C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 77.6° | 174.3° |
| C1 | C2 | C3 | N1 | 159.9° | 65.7° |
| C1 | C2 | H1 | H2 | 119.0° | 120.0° |
| C1 | C2 | C3 | H3 | 40.9° | 54.4° |
| C2 | C1 | N | H31 | 5.7° | 0.0° |
| C10 | C5 | C4 | C3 | 94.2° | 90.0° |
| C10 | C5 | C4 | C6 | 176.5° | 179.9° |
| C10 | C5 | C6 | C7 | 1.7° | 0.1° |
| C10 | C5 | C4 | H35 | 26.6° | 29.9° |
| C10 | C5 | C4 | H36 | 145.0° | 150.0° |
| C10 | C5 | C6 | H37 | 178.3° | 179.8° |
| CL1 | C8 | C7 | C6 | 176.3° | 180.0° |
| CL1 | C8 | C7 | H4 | 3.7° | 0.3° |
| O1 | C11 | N1 | C3 | 5.9° | 5.1° |
| O1 | C11 | N1 | C12 | 178.5° | 180.0° |
| O1 | C11 | C12 | N2 | 165.6° | 0.1° |
| O1 | C11 | C12 | H6 | 73.0° | 120.0° |
| O1 | C11 | C12 | H7 | 44.2° | 120.0° |
| O1 | C11 | N1 | H30 | 174.1° | 175.0° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.7° |
| C8 | C7 | C6 | H37 | 179.4° | 179.7° |
| C2 | C3 | C4 | N1 | 120.4° | 120.0° |
| C2 | C3 | C4 | H3 | 118.5° | 120.0° |
| C2 | C3 | N1 | H3 | 118.4° | 120.0° |
| C2 | C3 | C4 | C5 | 171.4° | 175.0° |
| C2 | C3 | N1 | C11 | 84.1° | 126.2° |
| C3 | C2 | H1 | H2 | 118.9° | 120.0° |
| C2 | C3 | N1 | H30 | 95.9° | 53.9° |
| C2 | C3 | C4 | H35 | 50.6° | 55.0° |
| C2 | C3 | C4 | H36 | 67.8° | 65.0° |
| C4 | C3 | N1 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | H35 | 120.8° | 120.0° |
| C3 | C4 | C5 | H36 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 82.4° | 90.1° |
| C4 | C3 | N1 | C11 | 154.7° | 113.8° |
| C4 | C3 | C2 | H1 | 42.8° | 54.3° |
| C4 | C3 | C2 | H2 | 162.0° | 65.7° |
| C4 | C3 | N1 | H30 | 25.3° | 66.1° |
| C3 | C4 | H35 | H36 | 117.5° | 120.0° |
| N1 | C3 | C4 | C5 | 68.2° | 65.0° |
| C3 | N1 | C11 | H30 | 180.0° | 179.9° |
| C3 | N1 | C11 | C12 | 175.6° | 174.9° |
| N1 | C3 | C2 | H1 | 79.8° | 174.2° |
| N1 | C3 | C2 | H2 | 39.5° | 54.3° |
| N1 | C3 | C4 | H35 | 171.0° | 175.0° |
| N1 | C3 | C4 | H36 | 52.6° | 54.9° |
| C4 | C5 | C6 | C7 | 174.9° | 180.0° |
| C5 | C4 | C3 | H3 | 52.9° | 55.0° |
| C4 | C5 | C10 | H5 | 6.8° | 0.1° |
| C5 | C4 | H35 | H36 | 117.5° | 120.1° |
| C4 | C5 | C6 | H37 | 5.1° | 0.3° |
| C5 | C6 | C7 | H37 | 180.0° | 179.7° |
| C5 | C6 | C7 | H4 | 179.4° | 179.7° |
| C6 | C5 | C10 | H5 | 176.6° | 180.0° |
| C6 | C5 | C4 | H35 | 156.8° | 150.0° |
| C6 | C5 | C4 | H36 | 38.4° | 29.9° |
| N1 | C11 | C12 | N2 | 15.8° | 180.0° |
| C11 | N1 | C3 | H3 | 34.3° | 6.2° |
| N1 | C11 | C12 | H6 | 105.6° | 60.0° |
| N1 | C11 | C12 | H7 | 137.2° | 60.1° |
| C11 | C12 | N2 | H6 | 121.4° | 120.0° |
| C11 | C12 | N2 | H7 | 121.4° | 119.9° |
| C11 | C12 | N2 | C13 | 100.7° | 90.0° |
| C11 | C12 | N2 | C22 | 80.6° | 89.9° |
| C11 | C12 | H6 | H7 | 115.6° | 120.0° |
| C12 | C11 | N1 | H30 | 4.4° | 5.1° |
| C14 | C15 | C16 | H9 | 180.0° | 179.9° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C14 | C13 | N2 | 175.6° | 179.2° |
| C15 | C14 | C13 | C18 | 0.4° | 0.4° |
| C14 | C15 | C16 | H10 | 179.9° | 179.7° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C16 | C17 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C16 | C15 | C14 | H8 | 179.7° | 180.0° |
| C15 | C16 | C17 | H29 | 179.7° | 179.9° |
| C14 | C13 | N2 | C12 | 45.9° | 49.5° |
| C14 | C13 | N2 | C18 | 176.1° | 179.7° |
| C14 | C13 | N2 | C22 | 135.4° | 130.5° |
| C14 | C13 | C18 | C17 | 0.2° | 0.6° |
| C14 | C13 | C18 | C19 | 177.4° | 178.8° |
| C13 | C14 | C15 | H9 | 179.7° | 179.9° |
| C12 | N2 | C13 | C22 | 178.6° | 179.9° |
| C12 | N2 | C13 | C18 | 138.0° | 130.8° |
| C12 | N2 | C22 | O2 | 13.0° | 4.8° |
| C12 | N2 | C22 | C21 | 167.8° | 175.1° |
| N2 | C12 | H6 | H7 | 115.7° | 120.0° |
| C16 | C17 | C18 | C13 | 0.1° | 0.3° |
| C16 | C17 | C18 | H29 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 177.2° | 179.0° |
| C17 | C16 | C15 | H9 | 179.9° | 179.6° |
| N2 | C13 | C18 | C17 | 175.8° | 179.1° |
| N2 | C13 | C18 | C19 | 1.4° | 1.6° |
| C13 | N2 | C22 | O2 | 165.6° | 175.1° |
| C13 | N2 | C22 | C21 | 13.5° | 4.9° |
| C13 | N2 | C12 | H6 | 138.0° | 30.0° |
| C13 | N2 | C12 | H7 | 20.7° | 150.1° |
| N2 | C13 | C14 | H8 | 4.4° | 0.8° |
| C18 | C13 | N2 | C22 | 40.7° | 49.1° |
| C13 | C18 | C17 | C19 | 177.4° | 179.3° |
| C13 | C18 | C19 | C20 | 65.8° | 76.5° |
| C18 | C13 | C14 | H8 | 179.5° | 179.6° |
| C13 | C18 | C19 | H11 | 54.8° | 163.3° |
| C13 | C18 | C19 | H12 | 173.7° | 43.8° |
| C13 | C18 | C17 | H29 | 179.8° | 179.5° |
| N2 | C22 | O2 | C21 | 179.1° | 180.0° |
| N2 | C22 | C21 | N3 | 148.7° | 159.7° |
| N2 | C22 | C21 | C20 | 84.8° | 80.0° |
| C22 | N2 | C12 | H6 | 40.8° | 150.0° |
| C22 | N2 | C12 | H7 | 158.0° | 30.0° |
| N2 | C22 | C21 | H15 | 31.2° | 40.3° |
| O3 | C23 | N3 | C24 | 178.2° | 180.0° |
| O3 | C23 | N3 | C21 | 1.8° | 0.0° |
| O3 | C23 | C24 | C25 | 45.9° | 0.0° |
| O3 | C23 | C24 | H16 | 74.3° | 120.0° |
| O3 | C23 | C24 | H17 | 166.2° | 120.0° |
| O3 | C23 | N3 | H28 | 178.2° | 180.0° |
| C17 | C18 | C19 | C20 | 111.4° | 104.2° |
| C18 | C17 | C16 | H10 | 179.7° | 179.9° |
| C17 | C18 | C19 | H11 | 128.0° | 16.1° |
| C17 | C18 | C19 | H12 | 9.1° | 135.5° |
| C18 | C19 | C20 | C21 | 32.7° | 43.2° |
| C18 | C19 | C20 | H11 | 120.6° | 120.3° |
| C18 | C19 | C20 | H12 | 120.6° | 120.2° |
| C18 | C19 | H11 | H12 | 118.2° | 119.5° |
| C18 | C19 | C20 | H13 | 87.8° | 163.2° |
| C18 | C19 | C20 | H14 | 153.1° | 76.9° |
| C19 | C18 | C17 | H29 | 2.8° | 1.2° |
| O2 | C22 | C21 | N3 | 32.2° | 20.2° |
| O2 | C22 | C21 | C20 | 94.4° | 100.0° |
| O2 | C22 | C21 | H15 | 149.6° | 139.7° |
| C22 | C21 | N3 | C23 | 57.3° | 83.9° |
| C22 | C21 | N3 | C20 | 124.0° | 121.1° |
| C22 | C21 | N3 | H15 | 116.7° | 119.5° |
| C22 | C21 | C20 | H15 | 115.8° | 120.3° |
| C22 | C21 | C20 | C19 | 50.6° | 43.3° |
| C22 | C21 | C20 | H13 | 171.0° | 76.7° |
| C22 | C21 | C20 | H14 | 69.9° | 163.3° |
| C22 | C21 | N3 | H28 | 122.7° | 96.1° |
| C28 | C29 | C30 | H20 | 180.0° | 179.9° |
| C29 | C28 | C27 | H21 | 180.0° | 180.0° |
| C28 | C29 | C30 | BR | 178.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.1° |
| C29 | C28 | C27 | C26 | 173.9° | 179.7° |
| C29 | C28 | C27 | C32 | 1.2° | 0.0° |
| C30 | C29 | C28 | C27 | 1.0° | 0.1° |
| C29 | C30 | BR | C31 | 178.2° | 179.9° |
| C29 | C30 | C31 | C32 | 1.2° | 0.1° |
| C29 | C30 | C31 | H18 | 178.8° | 180.0° |
| C30 | C29 | C28 | H21 | 179.0° | 179.9° |
| C28 | C27 | C26 | C25 | 69.2° | 90.3° |
| C28 | C27 | C26 | C32 | 175.0° | 179.7° |
| C28 | C27 | C32 | C31 | 0.2° | 0.0° |
| C28 | C27 | C32 | H19 | 179.8° | 180.0° |
| C27 | C28 | C29 | H20 | 179.0° | 180.0° |
| C28 | C27 | C26 | H22 | 51.3° | 29.7° |
| C28 | C27 | C26 | H23 | 170.4° | 149.7° |
| C23 | N3 | C21 | H28 | 180.0° | 180.0° |
| C23 | N3 | C21 | C20 | 178.7° | 155.0° |
| N3 | C23 | C24 | C25 | 132.3° | 180.0° |
| C23 | N3 | C21 | H15 | 59.3° | 35.5° |
| N3 | C23 | C24 | H16 | 107.5° | 60.0° |
| N3 | C23 | C24 | H17 | 12.0° | 60.0° |
| C24 | C23 | N3 | C21 | 180.0° | 180.0° |
| C23 | C24 | C25 | N4 | 140.1° | 65.0° |
| C23 | C24 | C25 | H16 | 120.2° | 120.0° |
| C23 | C24 | C25 | H17 | 120.2° | 120.0° |
| C23 | C24 | C25 | C26 | 92.5° | 175.0° |
| C23 | C24 | H16 | H17 | 119.3° | 120.0° |
| C23 | C24 | C25 | H24 | 23.2° | 55.0° |
| C24 | C23 | N3 | H28 | 0.0° | 0.0° |
| N3 | C21 | C20 | H15 | 119.9° | 119.5° |
| N3 | C21 | C20 | C19 | 174.9° | 163.5° |
| N3 | C21 | C20 | H13 | 64.6° | 43.6° |
| N3 | C21 | C20 | H14 | 54.5° | 76.4° |
| C21 | C20 | C19 | H13 | 120.5° | 120.0° |
| C21 | C20 | C19 | H14 | 120.4° | 120.1° |
| C21 | C20 | C19 | H11 | 87.9° | 163.5° |
| C21 | C20 | C19 | H12 | 153.2° | 77.1° |
| C21 | C20 | H13 | H14 | 118.6° | 120.1° |
| C20 | C21 | N3 | H28 | 1.3° | 25.0° |
| N4 | C25 | C24 | C26 | 127.4° | 120.0° |
| N4 | C25 | C24 | H24 | 117.0° | 120.0° |
| N4 | C25 | C26 | H24 | 116.4° | 119.9° |
| N4 | C25 | C26 | C27 | 175.3° | 65.0° |
| N4 | C25 | C24 | H16 | 19.9° | 175.0° |
| N4 | C25 | C24 | H17 | 99.7° | 55.0° |
| N4 | C25 | C26 | H22 | 54.9° | 175.0° |
| N4 | C25 | C26 | H23 | 64.2° | 55.0° |
| C25 | N4 | H25 | H26 | 120.0° | 123.9° |
| C24 | C25 | C26 | H24 | 115.6° | 120.1° |
| C24 | C25 | C26 | C27 | 56.7° | 175.0° |
| C25 | C24 | H16 | H17 | 119.3° | 120.0° |
| C24 | C25 | C26 | H22 | 177.2° | 55.0° |
| C24 | C25 | C26 | H23 | 63.7° | 65.0° |
| C24 | C25 | N4 | H25 | 180.0° | 63.9° |
| C24 | C25 | N4 | H26 | 60.0° | 60.0° |
| C25 | C26 | C27 | H22 | 120.5° | 120.0° |
| C25 | C26 | C27 | H23 | 120.5° | 120.0° |
| C25 | C26 | C27 | C32 | 105.8° | 90.0° |
| C26 | C25 | C24 | H16 | 147.3° | 55.0° |
| C26 | C25 | C24 | H17 | 27.8° | 65.0° |
| C25 | C26 | H22 | H23 | 118.6° | 120.0° |
| C26 | C25 | N4 | H25 | 52.5° | 176.1° |
| C26 | C25 | N4 | H26 | 172.5° | 60.0° |
| C20 | C19 | H11 | H12 | 118.2° | 119.6° |
| C19 | C20 | H13 | H14 | 118.6° | 119.9° |
| C19 | C20 | C21 | H15 | 65.2° | 77.0° |
| BR | C30 | C31 | C32 | 177.0° | 180.0° |
| BR | C30 | C31 | H18 | 3.0° | 0.0° |
| BR | C30 | C29 | H20 | 2.0° | 0.1° |
| C30 | C31 | C32 | C27 | 1.0° | 0.1° |
| C30 | C31 | C32 | H18 | 180.0° | 179.9° |
| C30 | C31 | C32 | H19 | 179.1° | 180.0° |
| C31 | C30 | C29 | H20 | 179.8° | 180.0° |
| C26 | C27 | C32 | C31 | 174.9° | 179.7° |
| C26 | C27 | C32 | H19 | 5.1° | 0.3° |
| C26 | C27 | C28 | H21 | 6.1° | 0.3° |
| C27 | C26 | H22 | H23 | 118.6° | 120.0° |
| C27 | C26 | C25 | H24 | 58.9° | 54.9° |
| C27 | C32 | C31 | H19 | 180.0° | 180.0° |
| C27 | C32 | C31 | H18 | 179.0° | 180.0° |
| C32 | C27 | C28 | H21 | 178.8° | 180.0° |
| C32 | C27 | C26 | H22 | 133.7° | 150.0° |
| C32 | C27 | C26 | H23 | 14.6° | 30.0° |
| H1 | C2 | C3 | H3 | 161.2° | 65.7° |
| H2 | C2 | C3 | H3 | 79.5° | 174.3° |
| H3 | C3 | N1 | H30 | 145.7° | 173.9° |
| H3 | C3 | C4 | H35 | 67.9° | 65.0° |
| H3 | C3 | C4 | H36 | 173.7° | 175.0° |
| H4 | C7 | C6 | H37 | 0.6° | 0.0° |
| H8 | C14 | C15 | H9 | 0.3° | 0.1° |
| H9 | C15 | C16 | H10 | 0.1° | 0.3° |
| H10 | C16 | C17 | H29 | 0.3° | 0.1° |
| H11 | C19 | C20 | H13 | 151.6° | 76.6° |
| H11 | C19 | C20 | H14 | 32.5° | 43.4° |
| H12 | C19 | C20 | H13 | 32.8° | 42.9° |
| H12 | C19 | C20 | H14 | 86.3° | 162.9° |
| H13 | C20 | C21 | H15 | 55.2° | 163.0° |
| H14 | C20 | C21 | H15 | 174.3° | 43.0° |
| H15 | C21 | N3 | H28 | 120.6° | 144.4° |
| H16 | C24 | C25 | H24 | 97.1° | 65.0° |
| H17 | C24 | C25 | H24 | 143.4° | 175.0° |
| H18 | C31 | C32 | H19 | 0.9° | 0.0° |
| H20 | C29 | C28 | H21 | 1.0° | 0.0° |
| H22 | C26 | C25 | H24 | 61.6° | 65.0° |
| H23 | C26 | C25 | H24 | 179.3° | 175.0° |
| H24 | C25 | N4 | H25 | 63.5° | 56.2° |
| H24 | C25 | N4 | H26 | 56.5° | 180.0° |
| H31 | N | C | H32 | 0.0° | 120.0° |
| H31 | N | C | H33 | 120.0° | 120.0° |
| H31 | N | C | H34 | 120.0° | 0.0° |
| H32 | C | H33 | H34 | 120.0° | 120.0° |
