B4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | doub | 1.38Å | 1.36Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| O4 | B1 | sing | 1.42Å | 1.43Å | |
| C39 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| B1 | C2 | sing | 1.57Å | 1.58Å | |
| B1 | O3 | sing | 1.42Å | 1.51Å | |
| C38 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.48Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| O10 | S8 | doub | 1.42Å | 1.44Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.73Å | |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | C19 | sing | 1.53Å | 1.57Å | |
| S8 | O9 | doub | 1.42Å | 1.44Å | |
| S8 | N11 | sing | 1.66Å | 1.65Å | |
| C30 | C29 | sing | 1.54Å | 1.54Å | |
| C30 | C31 | sing | 1.54Å | 1.54Å | |
| C19 | N20 | sing | 1.47Å | 1.45Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C29 | O28 | sing | 1.44Å | 1.42Å | |
| N11 | C16 | sing | 1.46Å | 1.45Å | |
| N11 | C12 | sing | 1.46Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| O22 | C21 | doub | 1.21Å | 1.25Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | O23 | sing | 1.35Å | 1.38Å | |
| C31 | C24 | sing | 1.51Å | 1.56Å | |
| C31 | C27 | sing | 1.54Å | 1.51Å | |
| C17 | O18 | sing | 1.43Å | 1.40Å | |
| O23 | C24 | sing | 1.45Å | 1.45Å | |
| O28 | C27 | sing | 1.45Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C27 | O26 | sing | 1.43Å | 1.42Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.49Å | |
| C25 | C44 | sing | 1.53Å | 1.52Å | |
| O26 | C44 | sing | 1.43Å | 1.39Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C39 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| O18 | H19 | sing | 0.97Å | 0.95Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| N20 | H28 | sing | 0.97Å | 1.00Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C36 | C37 | 120.1° | 120.0° |
| C36 | C35 | C34 | 120.5° | 120.0° |
| C35 | C36 | H25 | 120.0° | 120.0° |
| C36 | C35 | H26 | 119.7° | 120.0° |
| C36 | C37 | C38 | 119.6° | 120.0° |
| C36 | C37 | H24 | 120.2° | 120.0° |
| C37 | C36 | H25 | 120.0° | 120.0° |
| C35 | C34 | C33 | 120.0° | 120.0° |
| C34 | C35 | H26 | 119.8° | 120.0° |
| C35 | C34 | H27 | 120.0° | 120.0° |
| C37 | C38 | C33 | 119.4° | 120.0° |
| C37 | C38 | H23 | 120.3° | 120.0° |
| C38 | C37 | H24 | 120.2° | 120.0° |
| C34 | C33 | C38 | 120.1° | 120.0° |
| C34 | C33 | C32 | 121.6° | 120.0° |
| C33 | C34 | H27 | 120.0° | 120.0° |
| O4 | B1 | C2 | 109.6° | 120.0° |
| O4 | B1 | O3 | 130.0° | 120.0° |
| B1 | O4 | H6 | 109.5° | 114.0° |
| C6 | C39 | C2 | 121.9° | 119.9° |
| C39 | C6 | C5 | 118.2° | 120.1° |
| C39 | C6 | H1 | 120.9° | 119.9° |
| C6 | C39 | H2 | 119.0° | 120.1° |
| C39 | C2 | B1 | 124.4° | 120.1° |
| C39 | C2 | C3 | 119.6° | 119.8° |
| C2 | C39 | H2 | 119.1° | 120.1° |
| C2 | B1 | O3 | 120.4° | 120.0° |
| B1 | C2 | C3 | 116.1° | 120.1° |
| B1 | O3 | H5 | 109.5° | 114.0° |
| C38 | C33 | C32 | 118.3° | 120.0° |
| C33 | C38 | H23 | 120.3° | 120.0° |
| C33 | C32 | C19 | 111.1° | 109.5° |
| C33 | C32 | H21 | 109.1° | 109.5° |
| C33 | C32 | H22 | 109.0° | 109.5° |
| C6 | C5 | C4 | 118.1° | 120.3° |
| C6 | C5 | S8 | 122.1° | 119.9° |
| C5 | C6 | H1 | 120.9° | 120.0° |
| C2 | C3 | C4 | 118.6° | 119.9° |
| C2 | C3 | H4 | 120.7° | 120.1° |
| O10 | S8 | C5 | 108.7° | 106.4° |
| O10 | S8 | O9 | 117.7° | 123.2° |
| O10 | S8 | N11 | 106.5° | 106.4° |
| C4 | C5 | S8 | 119.8° | 119.8° |
| C5 | C4 | C3 | 123.6° | 120.1° |
| C5 | C4 | H3 | 118.2° | 119.9° |
| C5 | S8 | O9 | 109.5° | 106.4° |
| C5 | S8 | N11 | 108.4° | 107.2° |
| C3 | C4 | H3 | 118.2° | 120.0° |
| C4 | C3 | H4 | 120.7° | 120.0° |
| C32 | C19 | N20 | 107.5° | 109.5° |
| C32 | C19 | C17 | 114.4° | 109.5° |
| C32 | C19 | H20 | 107.9° | 109.5° |
| C19 | C32 | H21 | 109.0° | 109.5° |
| C19 | C32 | H22 | 109.1° | 109.5° |
| O9 | S8 | N11 | 105.6° | 106.4° |
| S8 | N11 | C16 | 122.6° | 120.0° |
| S8 | N11 | C12 | 116.4° | 120.0° |
| C29 | C30 | C31 | 99.4° | 103.5° |
| C30 | C29 | O28 | 108.8° | 107.1° |
| C29 | C30 | H36 | 111.9° | 110.6° |
| C29 | C30 | H37 | 111.9° | 110.6° |
| C30 | C29 | H38 | 109.7° | 109.9° |
| C30 | C29 | H39 | 109.7° | 109.9° |
| C30 | C31 | C24 | 117.7° | 111.9° |
| C30 | C31 | C27 | 105.6° | 102.6° |
| C30 | C31 | H35 | 106.2° | 109.9° |
| C31 | C30 | H36 | 111.9° | 110.6° |
| C31 | C30 | H37 | 111.9° | 110.6° |
| N20 | C19 | C17 | 109.4° | 109.5° |
| C19 | N20 | C21 | 122.0° | 120.0° |
| N20 | C19 | H20 | 109.4° | 109.5° |
| C19 | N20 | H28 | 119.0° | 120.0° |
| C19 | C17 | C16 | 114.1° | 109.4° |
| C19 | C17 | O18 | 110.5° | 109.4° |
| C19 | C17 | H18 | 106.7° | 109.5° |
| C17 | C19 | H20 | 108.2° | 109.4° |
| C29 | O28 | C27 | 110.6° | 106.5° |
| O28 | C29 | H38 | 109.6° | 109.8° |
| O28 | C29 | H39 | 109.6° | 110.0° |
| C16 | N11 | C12 | 114.6° | 120.0° |
| N11 | C16 | C17 | 116.3° | 109.4° |
| N11 | C16 | H16 | 107.7° | 109.5° |
| N11 | C16 | H17 | 107.7° | 109.5° |
| N11 | C12 | C13 | 116.6° | 109.5° |
| N11 | C12 | H7 | 107.7° | 109.5° |
| N11 | C12 | H8 | 107.7° | 109.5° |
| C16 | C17 | O18 | 109.9° | 109.5° |
| C17 | C16 | H16 | 107.7° | 109.4° |
| C17 | C16 | H17 | 107.7° | 109.5° |
| C16 | C17 | H18 | 107.0° | 109.5° |
| O22 | C21 | N20 | 127.2° | 120.0° |
| O22 | C21 | O23 | 122.7° | 120.0° |
| N20 | C21 | O23 | 110.0° | 120.0° |
| C21 | N20 | H28 | 119.0° | 120.0° |
| C21 | O23 | C24 | 117.1° | 117.0° |
| C24 | C31 | C27 | 114.2° | 112.6° |
| C31 | C24 | O23 | 104.6° | 109.3° |
| C31 | C24 | C25 | 113.6° | 110.8° |
| C31 | C24 | H29 | 109.7° | 109.2° |
| C24 | C31 | H35 | 106.0° | 109.8° |
| C31 | C27 | O28 | 101.6° | 102.3° |
| C31 | C27 | O26 | 118.8° | 110.7° |
| C31 | C27 | H34 | 108.3° | 112.6° |
| C27 | C31 | H35 | 106.4° | 109.9° |
| O18 | C17 | H18 | 108.4° | 109.5° |
| C17 | O18 | H19 | 109.5° | 114.1° |
| O23 | C24 | C25 | 106.7° | 109.2° |
| O23 | C24 | H29 | 111.3° | 109.2° |
| O28 | C27 | O26 | 109.0° | 106.2° |
| O28 | C27 | H34 | 109.1° | 112.3° |
| C24 | C25 | C44 | 112.1° | 108.0° |
| C25 | C24 | H29 | 110.7° | 109.2° |
| C24 | C25 | H30 | 108.8° | 109.8° |
| C24 | C25 | H31 | 108.8° | 109.7° |
| C12 | C13 | C14 | 112.2° | 109.5° |
| C12 | C13 | C15 | 106.6° | 109.4° |
| C13 | C12 | H7 | 107.7° | 109.4° |
| C13 | C12 | H8 | 107.7° | 109.4° |
| C12 | C13 | H9 | 107.2° | 109.5° |
| C27 | O26 | C44 | 120.5° | 115.9° |
| O26 | C27 | H34 | 109.6° | 112.1° |
| C14 | C13 | C15 | 114.7° | 109.5° |
| C14 | C13 | H9 | 107.7° | 109.4° |
| C13 | C14 | H13 | 109.5° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C15 | C13 | H9 | 108.1° | 109.5° |
| C13 | C15 | H10 | 109.5° | 109.4° |
| C13 | C15 | H11 | 109.5° | 109.4° |
| C13 | C15 | H12 | 109.5° | 109.5° |
| C25 | C44 | O26 | 116.2° | 108.5° |
| C44 | C25 | H30 | 108.8° | 109.7° |
| C44 | C25 | H31 | 108.8° | 109.7° |
| C25 | C44 | H32 | 107.7° | 109.6° |
| C25 | C44 | H33 | 107.7° | 109.6° |
| O26 | C44 | H32 | 107.8° | 109.7° |
| O26 | C44 | H33 | 107.8° | 109.8° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.8° |
| H32 | C44 | H33 | 109.5° | 109.6° |
| H36 | C30 | H37 | 109.5° | 110.7° |
| H38 | C29 | H39 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C36 | C37 | H25 | 180.0° | 179.8° |
| C36 | C35 | C34 | H26 | 180.0° | 179.7° |
| C35 | C36 | C37 | C38 | 4.0° | 0.1° |
| C36 | C35 | C34 | C33 | 1.6° | 0.6° |
| C35 | C36 | C37 | H24 | 176.0° | 180.0° |
| C36 | C35 | C34 | H27 | 178.3° | 180.0° |
| C37 | C36 | C35 | C34 | 5.2° | 0.2° |
| C36 | C37 | C38 | H24 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 0.7° | 0.1° |
| C36 | C37 | C38 | H23 | 179.3° | 179.9° |
| C37 | C36 | C35 | H26 | 174.8° | 179.9° |
| C35 | C34 | C33 | H27 | 180.0° | 179.4° |
| C35 | C34 | C33 | C38 | 3.1° | 0.6° |
| C35 | C34 | C33 | C32 | 177.6° | 179.7° |
| C34 | C35 | C36 | H25 | 174.8° | 180.0° |
| C37 | C38 | C33 | C34 | 4.2° | 0.2° |
| C37 | C38 | C33 | H23 | 180.0° | 180.0° |
| C37 | C38 | C33 | C32 | 176.5° | 180.0° |
| C38 | C37 | C36 | H25 | 176.0° | 179.7° |
| C34 | C33 | C38 | C32 | 179.3° | 179.8° |
| C34 | C33 | C32 | C19 | 72.8° | 90.3° |
| C34 | C33 | C32 | H21 | 47.4° | 149.7° |
| C34 | C33 | C32 | H22 | 166.9° | 29.8° |
| C34 | C33 | C38 | H23 | 175.8° | 179.7° |
| C33 | C34 | C35 | H26 | 178.4° | 179.7° |
| O4 | B1 | C2 | C39 | 1.1° | 180.0° |
| O4 | B1 | C2 | O3 | 179.6° | 180.0° |
| O4 | B1 | C2 | C3 | 178.5° | 0.2° |
| O4 | B1 | O3 | H5 | 180.0° | 0.1° |
| C6 | C39 | C2 | H2 | 180.0° | 179.9° |
| C6 | C39 | C2 | B1 | 179.3° | 180.0° |
| C39 | C6 | C5 | H1 | 180.0° | 179.9° |
| C6 | C39 | C2 | C3 | 0.2° | 0.2° |
| C39 | C6 | C5 | C4 | 3.4° | 0.1° |
| C39 | C6 | C5 | S8 | 177.4° | 179.7° |
| C39 | C2 | B1 | C3 | 179.5° | 179.8° |
| C39 | C2 | B1 | O3 | 178.6° | 0.0° |
| C2 | C39 | C6 | C5 | 1.9° | 0.1° |
| C39 | C2 | C3 | C4 | 0.6° | 0.5° |
| C2 | C39 | C6 | H1 | 178.1° | 180.0° |
| C39 | C2 | C3 | H4 | 179.4° | 180.0° |
| B1 | C2 | C3 | C4 | 179.0° | 179.8° |
| B1 | C2 | C39 | H2 | 0.7° | 0.0° |
| B1 | C2 | C3 | H4 | 1.0° | 0.2° |
| C2 | B1 | O3 | H5 | 0.5° | 179.9° |
| C2 | B1 | O4 | H6 | 180.0° | 180.0° |
| O3 | B1 | C2 | C3 | 1.9° | 179.8° |
| O3 | B1 | O4 | H6 | 0.4° | 0.0° |
| C38 | C33 | C32 | C19 | 107.9° | 89.9° |
| C38 | C33 | C32 | H21 | 131.9° | 30.1° |
| C38 | C33 | C32 | H22 | 12.4° | 150.0° |
| C33 | C38 | C37 | H24 | 179.3° | 180.0° |
| C38 | C33 | C34 | H27 | 176.9° | 180.0° |
| C33 | C32 | C19 | H21 | 120.3° | 120.0° |
| C33 | C32 | C19 | H22 | 120.2° | 120.1° |
| C33 | C32 | C19 | N20 | 57.7° | 65.0° |
| C33 | C32 | C19 | C17 | 179.4° | 175.0° |
| C33 | C32 | C19 | H20 | 60.1° | 55.0° |
| C33 | C32 | H21 | H22 | 119.2° | 120.0° |
| C32 | C33 | C38 | H23 | 3.5° | 0.0° |
| C32 | C33 | C34 | H27 | 2.4° | 0.2° |
| C6 | C5 | S8 | O10 | 31.2° | 23.7° |
| C6 | C5 | C4 | S8 | 179.2° | 179.9° |
| C6 | C5 | C4 | C3 | 3.2° | 0.1° |
| C6 | C5 | S8 | O9 | 161.1° | 156.7° |
| C6 | C5 | S8 | N11 | 84.2° | 89.8° |
| C5 | C6 | C39 | H2 | 178.1° | 180.0° |
| C6 | C5 | C4 | H3 | 176.8° | 179.8° |
| C2 | C3 | C4 | C5 | 1.2° | 0.4° |
| C2 | C3 | C4 | H4 | 180.0° | 179.5° |
| C3 | C2 | C39 | H2 | 179.8° | 179.7° |
| C2 | C3 | C4 | H3 | 178.9° | 179.5° |
| O10 | S8 | C5 | C4 | 148.0° | 156.4° |
| O10 | S8 | C5 | O9 | 129.9° | 133.0° |
| O10 | S8 | C5 | N11 | 115.4° | 113.5° |
| O10 | S8 | O9 | N11 | 118.7° | 122.9° |
| O10 | S8 | N11 | C16 | 23.9° | 23.6° |
| O10 | S8 | N11 | C12 | 174.4° | 156.5° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | S8 | O9 | 18.1° | 23.5° |
| C4 | C5 | S8 | N11 | 96.6° | 90.1° |
| C4 | C5 | C6 | H1 | 176.6° | 179.9° |
| C5 | C4 | C3 | H4 | 178.8° | 180.0° |
| S8 | C5 | C4 | C3 | 177.6° | 180.0° |
| C5 | S8 | O9 | N11 | 116.5° | 114.1° |
| C5 | S8 | N11 | C16 | 92.9° | 90.0° |
| C5 | S8 | N11 | C12 | 57.6° | 90.0° |
| S8 | C5 | C6 | H1 | 2.6° | 0.2° |
| S8 | C5 | C4 | H3 | 2.4° | 0.1° |
| C32 | C19 | N20 | C17 | 124.8° | 120.0° |
| C32 | C19 | N20 | H20 | 116.8° | 120.0° |
| C32 | C19 | C17 | H20 | 120.2° | 120.0° |
| C32 | C19 | C17 | C16 | 72.2° | 65.0° |
| C32 | C19 | N20 | C21 | 116.5° | 85.0° |
| C32 | C19 | C17 | O18 | 52.2° | 55.0° |
| C32 | C19 | C17 | H18 | 169.8° | 175.0° |
| C19 | C32 | H21 | H22 | 119.2° | 120.0° |
| C32 | C19 | N20 | H28 | 63.5° | 95.0° |
| O9 | S8 | N11 | C16 | 149.8° | 156.5° |
| O9 | S8 | N11 | C12 | 59.7° | 23.5° |
| S8 | N11 | C16 | C12 | 151.0° | 180.0° |
| S8 | N11 | C16 | C17 | 107.8° | 94.1° |
| S8 | N11 | C12 | C13 | 134.2° | 93.1° |
| S8 | N11 | C12 | H7 | 13.2° | 146.8° |
| S8 | N11 | C12 | H8 | 104.8° | 26.8° |
| S8 | N11 | C16 | H16 | 131.2° | 146.0° |
| S8 | N11 | C16 | H17 | 13.2° | 25.9° |
| C29 | C30 | C31 | H36 | 118.4° | 118.5° |
| C29 | C30 | C31 | H37 | 118.3° | 118.5° |
| C30 | C29 | O28 | H38 | 119.9° | 119.3° |
| C30 | C29 | O28 | H39 | 119.9° | 119.4° |
| C29 | C30 | C31 | C24 | 95.0° | 143.7° |
| C29 | C30 | C31 | C27 | 33.8° | 22.8° |
| C30 | C29 | O28 | C27 | 4.1° | 27.5° |
| C29 | C30 | C31 | H35 | 146.6° | 94.1° |
| C29 | C30 | H36 | H37 | 124.7° | 122.9° |
| C30 | C29 | H38 | H39 | 120.3° | 121.2° |
| C31 | C30 | C29 | O28 | 18.5° | 1.6° |
| C30 | C31 | C24 | C27 | 124.7° | 115.0° |
| C30 | C31 | C24 | H35 | 118.5° | 122.3° |
| C30 | C31 | C27 | H35 | 112.6° | 116.9° |
| C30 | C31 | C24 | O23 | 46.0° | 55.6° |
| C30 | C31 | C27 | O28 | 37.0° | 39.4° |
| C30 | C31 | C24 | C25 | 162.0° | 64.8° |
| C30 | C31 | C27 | O26 | 156.4° | 73.4° |
| C30 | C31 | C24 | H29 | 73.4° | 175.0° |
| C30 | C31 | C27 | H34 | 77.7° | 160.2° |
| C31 | C30 | H36 | H37 | 124.6° | 123.0° |
| C31 | C30 | C29 | H38 | 101.4° | 117.7° |
| C31 | C30 | C29 | H39 | 138.4° | 121.0° |
| N20 | C19 | C17 | H20 | 119.1° | 120.0° |
| N20 | C19 | C17 | C16 | 167.1° | 175.0° |
| C19 | N20 | C21 | O22 | 7.5° | 0.0° |
| C19 | N20 | C21 | H28 | 180.0° | 180.0° |
| C19 | N20 | C21 | O23 | 169.6° | 180.0° |
| N20 | C19 | C17 | O18 | 68.4° | 65.0° |
| N20 | C19 | C17 | H18 | 49.2° | 55.0° |
| N20 | C19 | C32 | H21 | 178.0° | 55.0° |
| N20 | C19 | C32 | H22 | 62.5° | 175.0° |
| C19 | C17 | C16 | N11 | 65.1° | 175.0° |
| C19 | C17 | C16 | O18 | 124.7° | 120.0° |
| C19 | C17 | C16 | H18 | 117.8° | 120.0° |
| C17 | C19 | N20 | C21 | 118.7° | 155.0° |
| C19 | C17 | O18 | H18 | 116.6° | 120.0° |
| C19 | C17 | C16 | H16 | 173.9° | 65.0° |
| C19 | C17 | C16 | H17 | 55.9° | 55.0° |
| C19 | C17 | O18 | H19 | 180.0° | 59.9° |
| C17 | C19 | C32 | H21 | 60.3° | 65.0° |
| C17 | C19 | C32 | H22 | 59.2° | 55.0° |
| C17 | C19 | N20 | H28 | 61.3° | 25.0° |
| C29 | O28 | C27 | C31 | 25.3° | 41.9° |
| C29 | O28 | C27 | O26 | 151.5° | 74.2° |
| C29 | O28 | C27 | H34 | 88.9° | 162.9° |
| O28 | C29 | C30 | H36 | 99.8° | 120.1° |
| O28 | C29 | C30 | H37 | 136.9° | 116.9° |
| O28 | C29 | H38 | H39 | 120.2° | 121.2° |
| N11 | C16 | C17 | H16 | 121.0° | 120.0° |
| N11 | C16 | C17 | H17 | 121.0° | 120.0° |
| N11 | C16 | C17 | O18 | 170.2° | 65.0° |
| C16 | N11 | C12 | C13 | 72.9° | 86.8° |
| C16 | N11 | C12 | H7 | 166.0° | 33.2° |
| C16 | N11 | C12 | H8 | 48.1° | 153.2° |
| N11 | C16 | H16 | H17 | 116.9° | 120.1° |
| N11 | C16 | C17 | H18 | 52.7° | 55.1° |
| C12 | N11 | C16 | C17 | 101.2° | 85.9° |
| N11 | C12 | C13 | H7 | 121.0° | 120.1° |
| N11 | C12 | C13 | H8 | 121.0° | 120.0° |
| N11 | C12 | C13 | C14 | 56.6° | 176.9° |
| N11 | C12 | C13 | C15 | 177.1° | 63.1° |
| N11 | C12 | H7 | H8 | 116.8° | 120.1° |
| N11 | C12 | C13 | H9 | 61.5° | 56.9° |
| C12 | N11 | C16 | H16 | 19.8° | 34.0° |
| C12 | N11 | C16 | H17 | 137.8° | 154.1° |
| C16 | C17 | O18 | H18 | 116.6° | 120.1° |
| C17 | C16 | H16 | H17 | 116.9° | 120.0° |
| C16 | C17 | O18 | H19 | 53.2° | 60.0° |
| C16 | C17 | C19 | H20 | 48.0° | 55.0° |
| O22 | C21 | N20 | O23 | 177.1° | 180.0° |
| O22 | C21 | O23 | C24 | 2.0° | 0.0° |
| O22 | C21 | N20 | H28 | 172.5° | 180.0° |
| N20 | C21 | O23 | C24 | 179.3° | 180.0° |
| C21 | N20 | C19 | H20 | 0.3° | 35.0° |
| C21 | O23 | C24 | C31 | 139.5° | 148.7° |
| C21 | O23 | C24 | C25 | 99.8° | 90.0° |
| O23 | C21 | N20 | H28 | 10.4° | 0.0° |
| C21 | O23 | C24 | H29 | 21.1° | 29.3° |
| C24 | C31 | C27 | H35 | 116.5° | 122.7° |
| C31 | C24 | O23 | C25 | 120.7° | 121.3° |
| C31 | C24 | O23 | H29 | 118.4° | 119.4° |
| C24 | C31 | C27 | O28 | 93.9° | 159.8° |
| C31 | C24 | C25 | H29 | 124.0° | 120.3° |
| C24 | C31 | C27 | O26 | 25.5° | 47.0° |
| C31 | C24 | C25 | C44 | 47.7° | 56.6° |
| C31 | C24 | C25 | H30 | 72.6° | 176.3° |
| C31 | C24 | C25 | H31 | 168.2° | 62.9° |
| C24 | C31 | C27 | H34 | 151.4° | 79.3° |
| C24 | C31 | C30 | H36 | 146.6° | 25.2° |
| C24 | C31 | C30 | H37 | 23.3° | 97.8° |
| C27 | C31 | C24 | O23 | 78.7° | 170.5° |
| C31 | C27 | O28 | O26 | 126.2° | 116.1° |
| C31 | C27 | O28 | H34 | 114.2° | 121.0° |
| C27 | C31 | C24 | C25 | 37.3° | 50.2° |
| C31 | C27 | O26 | H34 | 125.2° | 126.6° |
| C31 | C27 | O26 | C44 | 26.6° | 54.8° |
| C27 | C31 | C24 | H29 | 161.9° | 70.1° |
| C27 | C31 | C30 | H36 | 84.6° | 95.7° |
| C27 | C31 | C30 | H37 | 152.2° | 141.3° |
| O18 | C17 | C16 | H16 | 49.2° | 54.9° |
| O18 | C17 | C16 | H17 | 68.8° | 175.0° |
| O18 | C17 | C19 | H20 | 172.5° | 175.0° |
| O23 | C24 | C25 | H29 | 121.3° | 119.3° |
| O23 | C24 | C25 | C44 | 67.0° | 177.0° |
| O23 | C24 | C25 | H30 | 172.6° | 63.3° |
| O23 | C24 | C25 | H31 | 53.4° | 57.4° |
| O23 | C24 | C31 | H35 | 164.6° | 66.8° |
| O28 | C27 | O26 | H34 | 119.3° | 123.0° |
| O28 | C27 | O26 | C44 | 89.0° | 165.2° |
| O28 | C27 | C31 | H35 | 149.6° | 77.5° |
| C27 | O28 | C29 | H38 | 124.0° | 91.9° |
| C27 | O28 | C29 | H39 | 115.9° | 146.9° |
| C24 | C25 | C44 | H30 | 120.4° | 119.7° |
| C24 | C25 | C44 | H31 | 120.4° | 119.6° |
| C24 | C25 | C44 | O26 | 48.4° | 61.2° |
| C24 | C25 | H30 | H31 | 118.8° | 120.7° |
| C24 | C25 | C44 | H32 | 169.4° | 58.5° |
| C24 | C25 | C44 | H33 | 72.5° | 178.9° |
| C25 | C24 | C31 | H35 | 79.4° | 172.9° |
| C12 | C13 | C14 | C15 | 121.9° | 120.0° |
| C12 | C13 | C14 | H9 | 117.7° | 120.0° |
| C12 | C13 | C15 | H9 | 114.9° | 120.0° |
| C13 | C12 | H7 | H8 | 116.7° | 119.9° |
| C12 | C13 | C15 | H10 | 180.0° | 172.8° |
| C12 | C13 | C15 | H11 | 60.0° | 67.3° |
| C12 | C13 | C15 | H12 | 60.0° | 52.8° |
| C12 | C13 | C14 | H13 | 180.0° | 60.0° |
| C12 | C13 | C14 | H14 | 60.0° | 180.0° |
| C12 | C13 | C14 | H15 | 60.0° | 60.0° |
| C27 | O26 | C44 | C25 | 37.7° | 62.9° |
| C27 | O26 | C44 | H32 | 158.6° | 56.8° |
| C27 | O26 | C44 | H33 | 83.3° | 177.3° |
| O26 | C27 | C31 | H35 | 91.0° | 169.6° |
| C14 | C13 | C15 | H9 | 120.2° | 120.0° |
| C14 | C13 | C12 | H7 | 64.5° | 63.0° |
| C14 | C13 | C12 | H8 | 177.6° | 56.9° |
| C14 | C13 | C15 | H10 | 55.2° | 52.8° |
| C14 | C13 | C15 | H11 | 64.9° | 172.7° |
| C14 | C13 | C15 | H12 | 175.1° | 67.2° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C15 | C13 | C12 | H7 | 61.9° | 57.0° |
| C15 | C13 | C12 | H8 | 56.0° | 176.9° |
| C13 | C15 | H10 | H11 | 120.0° | 119.9° |
| C13 | C15 | H10 | H12 | 120.0° | 120.0° |
| C13 | C15 | H11 | H12 | 120.0° | 120.1° |
| C15 | C13 | C14 | H13 | 58.1° | 179.9° |
| C15 | C13 | C14 | H14 | 178.1° | 60.0° |
| C15 | C13 | C14 | H15 | 61.9° | 59.9° |
| C25 | C44 | O26 | H32 | 121.0° | 119.7° |
| C25 | C44 | O26 | H33 | 121.0° | 119.8° |
| C44 | C25 | C24 | H29 | 171.8° | 63.6° |
| C44 | C25 | H30 | H31 | 118.8° | 120.7° |
| C25 | C44 | H32 | H33 | 116.9° | 120.4° |
| O26 | C44 | C25 | H30 | 72.0° | 179.1° |
| O26 | C44 | C25 | H31 | 168.9° | 58.4° |
| O26 | C44 | H32 | H33 | 117.0° | 120.6° |
| C44 | O26 | C27 | H34 | 151.8° | 71.8° |
| H1 | C6 | C39 | H2 | 1.9° | 0.0° |
| H3 | C4 | C3 | H4 | 1.1° | 0.1° |
| H7 | C12 | C13 | H9 | 177.5° | 177.0° |
| H8 | C12 | C13 | H9 | 59.6° | 63.1° |
| H9 | C13 | C15 | H10 | 65.0° | 67.2° |
| H9 | C13 | C15 | H11 | 174.9° | 52.7° |
| H9 | C13 | C15 | H12 | 54.9° | 172.8° |
| H9 | C13 | C14 | H13 | 62.3° | 60.0° |
| H9 | C13 | C14 | H14 | 57.7° | 60.0° |
| H9 | C13 | C14 | H15 | 177.7° | 180.0° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
| H16 | C16 | C17 | H18 | 68.3° | 175.0° |
| H17 | C16 | C17 | H18 | 173.7° | 64.9° |
| H18 | C17 | O18 | H19 | 63.4° | 179.9° |
| H18 | C17 | C19 | H20 | 69.9° | 65.0° |
| H20 | C19 | C32 | H21 | 60.1° | 175.1° |
| H20 | C19 | C32 | H22 | 179.6° | 65.0° |
| H20 | C19 | N20 | H28 | 179.7° | 145.0° |
| H23 | C38 | C37 | H24 | 0.7° | 0.0° |
| H24 | C37 | C36 | H25 | 4.0° | 0.3° |
| H25 | C36 | C35 | H26 | 5.2° | 0.3° |
| H26 | C35 | C34 | H27 | 1.7° | 0.3° |
| H29 | C24 | C25 | H30 | 51.4° | 56.0° |
| H29 | C24 | C25 | H31 | 67.8° | 176.8° |
| H29 | C24 | C31 | H35 | 45.1° | 52.6° |
| H30 | C25 | C44 | H32 | 49.0° | 61.1° |
| H30 | C25 | C44 | H33 | 167.1° | 59.3° |
| H31 | C25 | C44 | H32 | 70.2° | 178.1° |
| H31 | C25 | C44 | H33 | 47.9° | 61.5° |
| H34 | C27 | C31 | H35 | 34.8° | 43.3° |
| H35 | C31 | C30 | H36 | 28.2° | 147.4° |
| H35 | C31 | C30 | H37 | 95.1° | 24.4° |
| H36 | C30 | C29 | H38 | 140.3° | 0.8° |
| H36 | C30 | C29 | H39 | 20.1° | 120.4° |
| H37 | C30 | C29 | H38 | 17.0° | 123.8° |
| H37 | C30 | C29 | H39 | 103.2° | 2.5° |
