BJY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.46Å | 1.49Å | |
| O29 | N28 | sing | 1.42Å | 1.37Å | |
| C15 | O42 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N13 | N12 | sing | 1.40Å | 1.38Å | Aromatic |
| N13 | C8 | sing | 1.35Å | 1.35Å | Aromatic |
| N17 | C16 | sing | 1.47Å | 1.48Å | |
| N17 | C22 | sing | 1.47Å | 1.48Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| N12 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| N28 | C30 | sing | 1.32Å | 1.35Å | Aromatic |
| N28 | C27 | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| O3 | S2 | doub | 1.42Å | 1.43Å | |
| C27 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C11 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C32 | sing | 1.48Å | 1.48Å | |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | N5 | sing | 1.47Å | 1.49Å | |
| C9 | C10 | sing | 1.51Å | 1.48Å | |
| N5 | S2 | sing | 1.66Å | 1.62Å | |
| N5 | C10 | sing | 1.47Å | 1.43Å | |
| C32 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| S2 | O4 | doub | 1.42Å | 1.43Å | |
| S2 | C1 | sing | 1.81Å | 1.76Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C23 | sing | 1.46Å | 1.44Å | Aromatic |
| C31 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | doub | 1.34Å | 1.37Å | Aromatic |
| C25 | N43 | sing | 1.37Å | 1.38Å | Aromatic |
| F41 | C38 | sing | 1.40Å | 1.32Å | |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C38 | sing | 1.51Å | 1.49Å | |
| C24 | N43 | sing | 1.37Å | 1.37Å | Aromatic |
| C38 | F39 | sing | 1.40Å | 1.32Å | |
| C38 | F40 | sing | 1.40Å | 1.36Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| O29 | H33 | sing | 0.97Å | 0.95Å | |
| O42 | H34 | sing | 0.97Å | 0.95Å | |
| N43 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | N13 | 113.8° | 109.5° |
| C14 | C15 | O42 | 110.2° | 109.5° |
| C14 | C15 | C16 | 114.1° | 109.5° |
| C15 | C14 | H1 | 108.4° | 109.5° |
| C15 | C14 | H2 | 108.4° | 109.5° |
| C14 | C15 | H3 | 107.4° | 109.4° |
| C14 | N13 | N12 | 118.4° | 125.9° |
| C14 | N13 | C8 | 129.8° | 126.0° |
| N13 | C14 | H1 | 108.4° | 109.5° |
| N13 | C14 | H2 | 108.4° | 109.5° |
| O29 | N28 | C30 | 118.6° | 118.8° |
| O29 | N28 | C27 | 117.3° | 118.9° |
| N28 | O29 | H33 | 109.5° | 114.0° |
| O42 | C15 | C16 | 109.0° | 109.5° |
| O42 | C15 | H3 | 108.6° | 109.5° |
| C15 | O42 | H34 | 109.5° | 114.0° |
| C15 | C16 | N17 | 111.7° | 109.5° |
| C16 | C15 | H3 | 107.4° | 109.4° |
| C15 | C16 | H13 | 108.9° | 109.4° |
| C15 | C16 | H14 | 108.9° | 109.5° |
| N12 | N13 | C8 | 111.8° | 108.1° |
| N13 | N12 | C11 | 104.0° | 108.2° |
| N13 | C8 | C7 | 127.5° | 127.6° |
| N13 | C8 | C9 | 107.5° | 107.9° |
| C16 | N17 | C22 | 115.2° | 111.0° |
| C16 | N17 | C18 | 114.0° | 111.0° |
| N17 | C16 | H13 | 108.9° | 109.5° |
| N17 | C16 | H14 | 108.9° | 109.5° |
| C22 | N17 | C18 | 110.5° | 111.2° |
| N17 | C22 | C21 | 112.4° | 109.5° |
| N17 | C22 | H22 | 108.7° | 109.5° |
| N17 | C22 | H23 | 108.7° | 109.4° |
| N17 | C18 | C19 | 111.0° | 109.5° |
| N17 | C18 | H15 | 109.1° | 109.5° |
| N17 | C18 | H16 | 109.1° | 109.5° |
| N12 | C11 | C9 | 111.3° | 107.7° |
| N12 | C11 | C32 | 119.2° | 126.2° |
| C8 | C7 | C6 | 109.3° | 108.8° |
| C7 | C8 | C9 | 125.0° | 124.4° |
| C8 | C7 | H9 | 109.5° | 109.6° |
| C8 | C7 | H10 | 109.5° | 109.6° |
| C7 | C6 | N5 | 109.8° | 109.2° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.6° |
| C7 | C6 | H11 | 109.4° | 109.5° |
| C7 | C6 | H12 | 109.4° | 109.5° |
| C30 | N28 | C27 | 124.2° | 122.3° |
| N28 | C30 | C31 | 118.2° | 120.1° |
| N28 | C30 | H27 | 120.9° | 120.0° |
| N28 | C27 | C26 | 119.8° | 121.4° |
| N28 | C27 | H26 | 120.1° | 119.3° |
| C8 | C9 | C11 | 105.4° | 108.1° |
| C8 | C9 | C10 | 122.5° | 123.9° |
| C22 | C21 | C20 | 111.5° | 109.3° |
| C22 | C21 | H20 | 108.9° | 109.5° |
| C22 | C21 | H21 | 109.0° | 109.6° |
| C21 | C22 | H22 | 108.7° | 109.5° |
| C21 | C22 | H23 | 108.7° | 109.5° |
| C30 | C31 | C23 | 134.3° | 134.9° |
| C30 | C31 | C25 | 118.6° | 119.1° |
| C31 | C30 | H27 | 120.9° | 119.9° |
| C18 | C19 | C20 | 107.3° | 109.3° |
| C19 | C18 | H15 | 109.1° | 109.4° |
| C19 | C18 | H16 | 109.1° | 109.5° |
| C18 | C19 | H17 | 110.0° | 109.5° |
| C18 | C19 | H18 | 110.0° | 109.5° |
| O3 | S2 | N5 | 106.7° | 104.3° |
| O3 | S2 | O4 | 118.4° | 121.1° |
| O3 | S2 | C1 | 109.1° | 110.5° |
| C27 | C26 | C25 | 117.5° | 118.9° |
| C27 | C26 | H25 | 121.2° | 120.5° |
| C26 | C27 | H26 | 120.1° | 119.2° |
| C19 | C20 | C21 | 109.1° | 109.1° |
| C19 | C20 | C23 | 114.3° | 109.5° |
| C20 | C19 | H17 | 110.0° | 109.5° |
| C20 | C19 | H18 | 110.0° | 109.4° |
| C19 | C20 | H19 | 106.7° | 109.5° |
| C9 | C11 | C32 | 129.5° | 126.1° |
| C11 | C9 | C10 | 132.1° | 128.0° |
| C11 | C32 | C33 | 121.0° | 120.1° |
| C11 | C32 | C37 | 120.5° | 120.1° |
| C32 | C33 | C34 | 120.5° | 119.9° |
| C33 | C32 | C37 | 118.5° | 119.8° |
| C32 | C33 | H28 | 119.8° | 120.0° |
| C33 | C34 | C35 | 121.0° | 120.1° |
| C34 | C33 | H28 | 119.7° | 120.0° |
| C33 | C34 | H29 | 119.5° | 120.0° |
| C6 | N5 | S2 | 117.1° | 120.8° |
| C6 | N5 | C10 | 113.7° | 118.3° |
| N5 | C6 | H11 | 109.3° | 109.5° |
| N5 | C6 | H12 | 109.4° | 109.5° |
| C9 | C10 | N5 | 106.2° | 107.3° |
| C9 | C10 | H4 | 110.3° | 109.9° |
| C9 | C10 | H5 | 110.3° | 109.9° |
| S2 | N5 | C10 | 122.0° | 120.8° |
| N5 | S2 | O4 | 106.6° | 104.3° |
| N5 | S2 | C1 | 107.1° | 104.4° |
| N5 | C10 | H4 | 110.3° | 109.9° |
| N5 | C10 | H5 | 110.3° | 110.0° |
| C32 | C37 | C36 | 120.7° | 119.9° |
| C32 | C37 | H31 | 119.7° | 120.1° |
| O4 | S2 | C1 | 108.3° | 110.6° |
| S2 | C1 | H6 | 109.5° | 109.5° |
| S2 | C1 | H7 | 109.5° | 109.4° |
| S2 | C1 | H8 | 109.4° | 109.5° |
| C34 | C35 | C36 | 118.6° | 120.2° |
| C34 | C35 | C38 | 120.7° | 119.9° |
| C35 | C34 | H29 | 119.5° | 119.9° |
| C23 | C31 | C25 | 107.1° | 106.0° |
| C31 | C23 | C20 | 126.8° | 126.5° |
| C31 | C23 | C24 | 106.3° | 107.0° |
| C31 | C25 | C26 | 121.7° | 118.2° |
| C31 | C25 | N43 | 107.5° | 107.2° |
| C21 | C20 | C23 | 113.5° | 109.5° |
| C21 | C20 | H19 | 106.2° | 109.6° |
| C20 | C21 | H20 | 108.9° | 109.5° |
| C20 | C21 | H21 | 108.9° | 109.5° |
| C26 | C25 | N43 | 130.8° | 134.6° |
| C25 | C26 | H25 | 121.2° | 120.6° |
| C20 | C23 | C24 | 127.0° | 126.5° |
| C23 | C20 | H19 | 106.6° | 109.5° |
| C23 | C24 | N43 | 110.2° | 109.9° |
| C23 | C24 | H24 | 124.9° | 125.0° |
| C25 | N43 | C24 | 108.9° | 109.9° |
| C25 | N43 | H32 | 125.6° | 125.1° |
| F41 | C38 | C35 | 113.0° | 109.4° |
| F41 | C38 | F39 | 103.8° | 109.5° |
| F41 | C38 | F40 | 108.2° | 109.5° |
| C37 | C36 | C35 | 120.7° | 120.2° |
| C37 | C36 | H30 | 119.6° | 120.0° |
| C36 | C37 | H31 | 119.7° | 120.1° |
| C36 | C35 | C38 | 120.8° | 119.9° |
| C35 | C36 | H30 | 119.7° | 119.9° |
| C35 | C38 | F39 | 112.1° | 109.4° |
| C35 | C38 | F40 | 112.7° | 109.4° |
| N43 | C24 | H24 | 124.9° | 125.0° |
| C24 | N43 | H32 | 125.5° | 125.0° |
| F39 | C38 | F40 | 106.4° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.9° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.7° |
| H11 | C6 | H12 | 109.5° | 109.6° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.6° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | N13 | H1 | 120.6° | 120.0° |
| C15 | C14 | N13 | H2 | 120.6° | 120.0° |
| C14 | C15 | O42 | C16 | 126.0° | 120.0° |
| C14 | C15 | O42 | H3 | 117.3° | 120.0° |
| C14 | C15 | C16 | H3 | 118.8° | 119.9° |
| C15 | C14 | N13 | N12 | 97.7° | 90.0° |
| C15 | C14 | N13 | C8 | 82.9° | 89.4° |
| C14 | C15 | C16 | N17 | 154.8° | 177.4° |
| C15 | C14 | H1 | H2 | 118.0° | 120.0° |
| C14 | C15 | C16 | H13 | 84.9° | 62.6° |
| C14 | C15 | C16 | H14 | 34.5° | 57.3° |
| C14 | C15 | O42 | H34 | 180.0° | 60.0° |
| N13 | C14 | C15 | O42 | 63.0° | 65.0° |
| N13 | C14 | C15 | C16 | 60.0° | 175.0° |
| C14 | N13 | N12 | C8 | 179.5° | 179.5° |
| C14 | N13 | N12 | C11 | 179.6° | 179.8° |
| C14 | N13 | C8 | C7 | 0.4° | 0.6° |
| C14 | N13 | C8 | C9 | 179.8° | 179.6° |
| N13 | C14 | H1 | H2 | 118.1° | 120.0° |
| N13 | C14 | C15 | H3 | 178.9° | 55.0° |
| O29 | N28 | C30 | C27 | 180.0° | 179.5° |
| O29 | N28 | C30 | C31 | 179.9° | 180.0° |
| O29 | N28 | C27 | C26 | 180.0° | 179.8° |
| O29 | N28 | C27 | H26 | 0.0° | 0.3° |
| O29 | N28 | C30 | H27 | 0.1° | 0.5° |
| O42 | C15 | C16 | H3 | 117.5° | 120.0° |
| O42 | C15 | C16 | N17 | 81.5° | 62.6° |
| O42 | C15 | C14 | H1 | 57.6° | 175.0° |
| O42 | C15 | C14 | H2 | 176.3° | 55.0° |
| O42 | C15 | C16 | H13 | 38.8° | 57.4° |
| O42 | C15 | C16 | H14 | 158.2° | 177.4° |
| C15 | C16 | N17 | H13 | 120.3° | 120.0° |
| C15 | C16 | N17 | H14 | 120.3° | 120.1° |
| C15 | C16 | N17 | C22 | 159.2° | 75.8° |
| C15 | C16 | N17 | C18 | 71.5° | 160.0° |
| C16 | C15 | C14 | H1 | 179.4° | 55.0° |
| C16 | C15 | C14 | H2 | 60.6° | 65.0° |
| C15 | C16 | H13 | H14 | 119.0° | 120.0° |
| C16 | C15 | O42 | H34 | 54.0° | 60.1° |
| N12 | N13 | C8 | C7 | 179.9° | 179.9° |
| N12 | N13 | C8 | C9 | 0.4° | 0.1° |
| N13 | N12 | C11 | C9 | 0.3° | 0.4° |
| N13 | N12 | C11 | C32 | 179.3° | 179.8° |
| N12 | N13 | C14 | H1 | 141.7° | 30.1° |
| N12 | N13 | C14 | H2 | 23.0° | 150.0° |
| C8 | N13 | N12 | C11 | 0.0° | 0.3° |
| N13 | C8 | C7 | C9 | 179.8° | 179.9° |
| N13 | C8 | C7 | C6 | 174.2° | 162.2° |
| N13 | C8 | C9 | C11 | 0.5° | 0.2° |
| N13 | C8 | C9 | C10 | 179.9° | 179.6° |
| C8 | N13 | C14 | H1 | 37.7° | 150.6° |
| C8 | N13 | C14 | H2 | 156.5° | 30.6° |
| N13 | C8 | C7 | H9 | 54.3° | 78.1° |
| N13 | C8 | C7 | H10 | 65.8° | 42.3° |
| C16 | N17 | C22 | C18 | 131.0° | 124.1° |
| C16 | N17 | C22 | C21 | 97.1° | 174.2° |
| C16 | N17 | C18 | C19 | 161.4° | 174.2° |
| N17 | C16 | C15 | H3 | 35.9° | 57.4° |
| N17 | C16 | H13 | H14 | 119.0° | 120.0° |
| C16 | N17 | C18 | H15 | 78.4° | 65.8° |
| C16 | N17 | C18 | H16 | 41.2° | 54.2° |
| C16 | N17 | C22 | H22 | 23.3° | 54.1° |
| C16 | N17 | C22 | H23 | 142.5° | 65.9° |
| N17 | C22 | C21 | H22 | 120.4° | 120.1° |
| N17 | C22 | C21 | H23 | 120.4° | 120.0° |
| C22 | N17 | C18 | C19 | 29.8° | 61.8° |
| N17 | C22 | C21 | C20 | 59.2° | 59.2° |
| C22 | N17 | C16 | H13 | 80.5° | 164.2° |
| C22 | N17 | C16 | H14 | 38.9° | 44.3° |
| C22 | N17 | C18 | H15 | 150.0° | 58.2° |
| C22 | N17 | C18 | H16 | 90.5° | 178.2° |
| N17 | C22 | C21 | H20 | 61.1° | 60.8° |
| N17 | C22 | C21 | H21 | 179.5° | 179.1° |
| N17 | C22 | H22 | H23 | 118.7° | 120.0° |
| C18 | N17 | C22 | C21 | 33.9° | 61.7° |
| N17 | C18 | C19 | H15 | 120.2° | 120.0° |
| N17 | C18 | C19 | H16 | 120.2° | 120.0° |
| N17 | C18 | C19 | C20 | 74.7° | 59.2° |
| C18 | N17 | C16 | H13 | 48.8° | 40.0° |
| C18 | N17 | C16 | H14 | 168.2° | 80.0° |
| N17 | C18 | H15 | H16 | 119.3° | 120.0° |
| N17 | C18 | C19 | H17 | 44.9° | 60.8° |
| N17 | C18 | C19 | H18 | 165.6° | 179.1° |
| C18 | N17 | C22 | H22 | 154.4° | 178.2° |
| C18 | N17 | C22 | H23 | 86.5° | 58.2° |
| N12 | C11 | C9 | C8 | 0.5° | 0.4° |
| N12 | C11 | C9 | C32 | 178.9° | 179.8° |
| N12 | C11 | C32 | C33 | 30.4° | 145.5° |
| N12 | C11 | C9 | C10 | 180.0° | 179.4° |
| N12 | C11 | C32 | C37 | 149.1° | 34.7° |
| C8 | C7 | C6 | H9 | 120.0° | 119.8° |
| C8 | C7 | C6 | H10 | 120.0° | 119.8° |
| C7 | C8 | C9 | C11 | 179.7° | 179.7° |
| C8 | C7 | C6 | N5 | 35.5° | 45.4° |
| C7 | C8 | C9 | C10 | 0.2° | 0.5° |
| C8 | C7 | H9 | H10 | 120.1° | 120.4° |
| C8 | C7 | C6 | H11 | 84.5° | 165.3° |
| C8 | C7 | C6 | H12 | 155.6° | 74.5° |
| C6 | C7 | C8 | C9 | 5.5° | 18.0° |
| C7 | C6 | N5 | H11 | 120.1° | 119.9° |
| C7 | C6 | N5 | H12 | 120.0° | 119.9° |
| C7 | C6 | N5 | S2 | 141.4° | 115.6° |
| C7 | C6 | N5 | C10 | 67.6° | 64.5° |
| C6 | C7 | H9 | H10 | 120.1° | 120.3° |
| C7 | C6 | H11 | H12 | 119.8° | 120.1° |
| N28 | C30 | C31 | H27 | 180.0° | 179.5° |
| C30 | N28 | C27 | C26 | 0.1° | 0.3° |
| N28 | C30 | C31 | C23 | 179.9° | 179.6° |
| N28 | C30 | C31 | C25 | 0.1° | 0.4° |
| C30 | N28 | C27 | H26 | 179.9° | 179.8° |
| C30 | N28 | O29 | H33 | 180.0° | 90.0° |
| C27 | N28 | C30 | C31 | 0.1° | 0.5° |
| N28 | C27 | C26 | H26 | 180.0° | 179.9° |
| N28 | C27 | C26 | C25 | 0.0° | 0.1° |
| N28 | C27 | C26 | H25 | 180.0° | 179.9° |
| C27 | N28 | C30 | H27 | 179.9° | 180.0° |
| C27 | N28 | O29 | H33 | 0.0° | 90.5° |
| C8 | C9 | C11 | C10 | 179.5° | 179.8° |
| C8 | C9 | C11 | C32 | 179.4° | 179.8° |
| C8 | C9 | C10 | N5 | 25.1° | 11.2° |
| C8 | C9 | C10 | H4 | 144.6° | 108.2° |
| C8 | C9 | C10 | H5 | 94.4° | 130.7° |
| C9 | C8 | C7 | H9 | 125.5° | 101.8° |
| C9 | C8 | C7 | H10 | 114.5° | 137.8° |
| C22 | C21 | C20 | C19 | 14.8° | 57.6° |
| C22 | C21 | C20 | H20 | 120.3° | 119.9° |
| C22 | C21 | C20 | H21 | 120.3° | 120.0° |
| C22 | C21 | C20 | C23 | 113.9° | 177.5° |
| C22 | C21 | C20 | H19 | 129.4° | 62.3° |
| C22 | C21 | H20 | H21 | 119.1° | 120.1° |
| C21 | C22 | H22 | H23 | 118.7° | 120.0° |
| C30 | C31 | C23 | C25 | 179.8° | 180.0° |
| C30 | C31 | C25 | C26 | 0.0° | 0.2° |
| C30 | C31 | C23 | C20 | 0.1° | 0.0° |
| C30 | C31 | C23 | C24 | 179.8° | 179.8° |
| C30 | C31 | C25 | N43 | 179.8° | 179.8° |
| C18 | C19 | C20 | H17 | 119.7° | 120.0° |
| C18 | C19 | C20 | H18 | 119.7° | 119.9° |
| C18 | C19 | C20 | C21 | 46.2° | 57.7° |
| C18 | C19 | C20 | C23 | 174.4° | 177.6° |
| C19 | C18 | H15 | H16 | 119.3° | 120.0° |
| C18 | C19 | H17 | H18 | 121.0° | 120.2° |
| C18 | C19 | C20 | H19 | 68.1° | 62.3° |
| O3 | S2 | N5 | C6 | 49.4° | 26.0° |
| O3 | S2 | N5 | O4 | 127.4° | 127.9° |
| O3 | S2 | N5 | C1 | 116.8° | 116.0° |
| O3 | S2 | N5 | C10 | 162.1° | 154.0° |
| O3 | S2 | O4 | C1 | 124.9° | 131.5° |
| O3 | S2 | C1 | H6 | 180.0° | 171.7° |
| O3 | S2 | C1 | H7 | 60.0° | 68.4° |
| O3 | S2 | C1 | H8 | 60.0° | 51.6° |
| C27 | C26 | C25 | C31 | 0.0° | 0.0° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| C27 | C26 | C25 | N43 | 179.8° | 180.0° |
| C19 | C20 | C23 | C31 | 70.2° | 119.7° |
| C19 | C20 | C21 | C23 | 128.6° | 119.9° |
| C19 | C20 | C21 | H19 | 114.7° | 119.9° |
| C19 | C20 | C23 | H19 | 117.6° | 120.1° |
| C19 | C20 | C23 | C24 | 110.2° | 60.0° |
| C20 | C19 | C18 | H15 | 165.0° | 60.8° |
| C20 | C19 | C18 | H16 | 45.5° | 179.2° |
| C20 | C19 | H17 | H18 | 121.0° | 120.0° |
| C19 | C20 | C21 | H20 | 105.6° | 62.3° |
| C19 | C20 | C21 | H21 | 135.1° | 177.6° |
| C9 | C11 | C32 | C33 | 150.8° | 34.7° |
| C11 | C9 | C10 | N5 | 154.3° | 169.0° |
| C9 | C11 | C32 | C37 | 29.8° | 145.0° |
| C11 | C9 | C10 | H4 | 34.8° | 71.6° |
| C11 | C9 | C10 | H5 | 86.2° | 49.5° |
| C11 | C32 | C33 | C37 | 179.4° | 179.7° |
| C11 | C32 | C33 | C34 | 179.5° | 180.0° |
| C32 | C11 | C9 | C10 | 1.1° | 0.3° |
| C11 | C32 | C37 | C36 | 179.5° | 179.8° |
| C11 | C32 | C33 | H28 | 0.5° | 0.0° |
| C11 | C32 | C37 | H31 | 0.5° | 0.1° |
| C32 | C33 | C34 | H28 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C33 | C32 | C37 | C36 | 0.1° | 0.5° |
| C32 | C33 | C34 | H29 | 179.9° | 180.0° |
| C33 | C32 | C37 | H31 | 179.9° | 179.8° |
| C34 | C33 | C32 | C37 | 0.1° | 0.2° |
| C33 | C34 | C35 | H29 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C33 | C34 | C35 | C38 | 179.7° | 180.0° |
| C6 | N5 | C10 | C9 | 58.8° | 44.2° |
| C6 | N5 | S2 | C10 | 148.5° | 180.0° |
| C6 | N5 | S2 | O4 | 176.8° | 153.9° |
| C6 | N5 | S2 | C1 | 67.4° | 90.0° |
| C6 | N5 | C10 | H4 | 178.3° | 75.2° |
| C6 | N5 | C10 | H5 | 60.7° | 163.7° |
| N5 | C6 | C7 | H9 | 155.5° | 74.4° |
| N5 | C6 | C7 | H10 | 84.5° | 165.3° |
| N5 | C6 | H11 | H12 | 119.8° | 120.2° |
| C9 | C10 | N5 | S2 | 151.7° | 135.8° |
| C9 | C10 | N5 | H4 | 119.5° | 119.4° |
| C9 | C10 | N5 | H5 | 119.5° | 119.5° |
| C9 | C10 | H4 | H5 | 121.5° | 121.1° |
| N5 | S2 | O4 | C1 | 115.0° | 111.7° |
| S2 | N5 | C10 | H4 | 32.3° | 104.7° |
| S2 | N5 | C10 | H5 | 88.8° | 16.3° |
| N5 | S2 | C1 | H6 | 64.8° | 60.0° |
| N5 | S2 | C1 | H7 | 55.2° | 180.0° |
| N5 | S2 | C1 | H8 | 175.2° | 60.0° |
| S2 | N5 | C6 | H11 | 98.5° | 4.3° |
| S2 | N5 | C6 | H12 | 21.4° | 124.5° |
| C10 | N5 | S2 | O4 | 34.7° | 26.1° |
| C10 | N5 | S2 | C1 | 81.1° | 90.0° |
| N5 | C10 | H4 | H5 | 121.5° | 121.1° |
| C10 | N5 | C6 | H11 | 52.5° | 175.7° |
| C10 | N5 | C6 | H12 | 172.4° | 55.5° |
| C32 | C37 | C36 | H31 | 180.0° | 179.7° |
| C32 | C37 | C36 | C35 | 0.1° | 0.5° |
| C37 | C32 | C33 | H28 | 179.9° | 179.7° |
| C32 | C37 | C36 | H30 | 179.9° | 179.7° |
| O4 | S2 | C1 | H6 | 49.8° | 51.6° |
| O4 | S2 | C1 | H7 | 169.8° | 68.4° |
| O4 | S2 | C1 | H8 | 70.2° | 171.6° |
| S2 | C1 | H6 | H7 | 120.0° | 119.9° |
| S2 | C1 | H6 | H8 | 120.0° | 120.0° |
| S2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C34 | C35 | C38 | F41 | 39.5° | 30.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.3° |
| C34 | C35 | C36 | C38 | 179.4° | 180.0° |
| C34 | C35 | C38 | F39 | 77.3° | 90.0° |
| C34 | C35 | C38 | F40 | 162.6° | 150.0° |
| C35 | C34 | C33 | H28 | 179.9° | 180.0° |
| C34 | C35 | C36 | H30 | 179.8° | 180.0° |
| C31 | C23 | C20 | C21 | 55.8° | 120.6° |
| C23 | C31 | C25 | C26 | 179.9° | 179.8° |
| C31 | C23 | C20 | C24 | 179.7° | 179.7° |
| C23 | C31 | C25 | N43 | 0.0° | 0.2° |
| C31 | C23 | C24 | N43 | 0.0° | 0.2° |
| C31 | C23 | C20 | H19 | 172.3° | 0.4° |
| C31 | C23 | C24 | H24 | 180.0° | 179.8° |
| C23 | C31 | C30 | H27 | 0.1° | 0.1° |
| C31 | C25 | C26 | N43 | 179.8° | 180.0° |
| C25 | C31 | C23 | C20 | 179.8° | 180.0° |
| C25 | C31 | C23 | C24 | 0.0° | 0.2° |
| C31 | C25 | N43 | C24 | 0.0° | 0.0° |
| C31 | C25 | C26 | H25 | 179.9° | 180.0° |
| C25 | C31 | C30 | H27 | 179.9° | 179.9° |
| C31 | C25 | N43 | H32 | 179.9° | 179.8° |
| C21 | C20 | C23 | H19 | 116.5° | 120.2° |
| C21 | C20 | C23 | C24 | 123.9° | 59.7° |
| C21 | C20 | C19 | H17 | 73.4° | 62.3° |
| C21 | C20 | C19 | H18 | 165.9° | 177.6° |
| C20 | C21 | H20 | H21 | 119.0° | 120.1° |
| C20 | C21 | C22 | H22 | 179.6° | 179.2° |
| C20 | C21 | C22 | H23 | 61.2° | 60.8° |
| C26 | C25 | N43 | C24 | 179.9° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C26 | C25 | N43 | H32 | 0.1° | 0.2° |
| C20 | C23 | C24 | N43 | 179.7° | 180.0° |
| C23 | C20 | C19 | H17 | 54.7° | 57.6° |
| C23 | C20 | C19 | H18 | 65.9° | 62.5° |
| C23 | C20 | C21 | H20 | 125.8° | 57.6° |
| C23 | C20 | C21 | H21 | 6.5° | 62.5° |
| C20 | C23 | C24 | H24 | 0.3° | 0.0° |
| C23 | C24 | N43 | C25 | 0.0° | 0.1° |
| C23 | C24 | N43 | H24 | 180.0° | 180.0° |
| C24 | C23 | C20 | H19 | 7.4° | 179.9° |
| C23 | C24 | N43 | H32 | 180.0° | 180.0° |
| C25 | N43 | C24 | H32 | 180.0° | 179.9° |
| C25 | N43 | C24 | H24 | 180.0° | 179.9° |
| N43 | C25 | C26 | H25 | 0.1° | 0.0° |
| F41 | C38 | C35 | C36 | 141.1° | 150.0° |
| F41 | C38 | C35 | F39 | 116.8° | 120.0° |
| F41 | C38 | C35 | F40 | 123.1° | 120.0° |
| F41 | C38 | F39 | F40 | 114.1° | 120.0° |
| C37 | C36 | C35 | H30 | 180.0° | 179.7° |
| C37 | C36 | C35 | C38 | 179.7° | 179.7° |
| C36 | C35 | C38 | F39 | 102.1° | 90.0° |
| C36 | C35 | C38 | F40 | 18.0° | 30.0° |
| C36 | C35 | C34 | H29 | 179.8° | 180.0° |
| C35 | C36 | C37 | H31 | 179.9° | 179.8° |
| C35 | C38 | F39 | F40 | 123.7° | 120.0° |
| C38 | C35 | C34 | H29 | 0.3° | 0.0° |
| C38 | C35 | C36 | H30 | 0.4° | 0.0° |
| H1 | C14 | C15 | H3 | 60.5° | 65.0° |
| H2 | C14 | C15 | H3 | 58.2° | 175.0° |
| H3 | C15 | C16 | H13 | 156.3° | 177.4° |
| H3 | C15 | C16 | H14 | 84.4° | 62.6° |
| H3 | C15 | O42 | H34 | 62.7° | 180.0° |
| H6 | C1 | H7 | H8 | 120.0° | 120.1° |
| H9 | C7 | C6 | H11 | 35.5° | 45.5° |
| H9 | C7 | C6 | H12 | 84.5° | 165.7° |
| H10 | C7 | C6 | H11 | 155.5° | 74.8° |
| H10 | C7 | C6 | H12 | 35.6° | 45.3° |
| H15 | C18 | C19 | H17 | 75.3° | 179.2° |
| H15 | C18 | C19 | H18 | 45.3° | 59.1° |
| H16 | C18 | C19 | H17 | 165.1° | 59.3° |
| H16 | C18 | C19 | H18 | 74.2° | 60.9° |
| H17 | C19 | C20 | H19 | 172.2° | 177.7° |
| H18 | C19 | C20 | H19 | 51.6° | 57.6° |
| H19 | C20 | C21 | H20 | 9.1° | 177.8° |
| H19 | C20 | C21 | H21 | 110.3° | 57.7° |
| H20 | C21 | C22 | H22 | 59.3° | 59.3° |
| H20 | C21 | C22 | H23 | 178.5° | 179.3° |
| H21 | C21 | C22 | H22 | 60.1° | 60.8° |
| H21 | C21 | C22 | H23 | 59.1° | 59.1° |
| H24 | C24 | N43 | H32 | 0.0° | 0.0° |
| H25 | C26 | C27 | H26 | 0.0° | 0.0° |
| H28 | C33 | C34 | H29 | 0.1° | 0.0° |
| H30 | C36 | C37 | H31 | 0.1° | 0.0° |
