MJ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | P | doub | 1.48Å | 1.55Å | |
| F | C | sing | 1.40Å | 1.34Å | |
| O1 | P | sing | 1.61Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| P | C | sing | 1.82Å | 1.86Å | |
| P | O2 | sing | 1.61Å | 1.49Å | |
| C | C1 | sing | 1.51Å | 1.56Å | |
| C | F1 | sing | 1.40Å | 1.34Å | |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.40Å | Aromatic |
| C1 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C3 | sing | 1.40Å | 1.45Å | Aromatic |
| C29 | C5 | doub | 1.34Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.48Å | |
| C5 | S | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | S | sing | 1.76Å | 1.74Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.34Å | |
| N | C7 | sing | 1.47Å | 1.45Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C7 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | O5 | doub | 1.21Å | 1.21Å | |
| C12 | N1 | sing | 1.35Å | 1.34Å | |
| C13 | N1 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| N1 | C16 | sing | 1.47Å | 1.47Å | |
| O4 | C17 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.55Å | 1.51Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| C17 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C18 | sing | 1.40Å | 1.43Å | |
| N2 | C24 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | BR | sing | 1.89Å | 1.90Å | |
| C26 | O3 | doub | 1.21Å | 1.22Å | |
| C26 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C27 | sing | 1.47Å | 1.46Å | |
| N3 | C28 | sing | 1.47Å | 1.46Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| O2 | H24 | sing | 0.97Å | 0.95Å | |
| O1 | H25 | sing | 0.97Å | 0.95Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C20 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | P | O1 | 107.8° | 109.5° |
| O | P | C | 105.4° | 109.5° |
| O | P | O2 | 115.4° | 109.5° |
| F | C | P | 107.5° | 109.5° |
| F | C | C1 | 111.1° | 109.4° |
| F | C | F1 | 102.1° | 109.5° |
| O1 | P | C | 105.6° | 109.5° |
| O1 | P | O2 | 113.8° | 109.5° |
| P | O1 | H25 | 109.5° | 114.0° |
| C9 | C8 | C11 | 108.9° | 109.4° |
| C9 | C8 | C10 | 109.1° | 109.5° |
| C9 | C8 | C7 | 108.9° | 109.5° |
| C8 | C9 | H28 | 109.5° | 109.5° |
| C8 | C9 | H29 | 109.4° | 109.4° |
| C8 | C9 | H30 | 109.5° | 109.5° |
| C | P | O2 | 108.0° | 109.5° |
| P | C | C1 | 116.4° | 109.5° |
| P | C | F1 | 110.4° | 109.5° |
| P | O2 | H24 | 109.5° | 114.0° |
| C1 | C | F1 | 108.3° | 109.5° |
| C | C1 | C2 | 119.0° | 119.7° |
| C | C1 | C31 | 122.2° | 119.6° |
| C1 | C2 | C3 | 121.7° | 120.5° |
| C2 | C1 | C31 | 118.7° | 120.7° |
| C1 | C2 | H1 | 119.2° | 119.7° |
| C2 | C3 | C29 | 131.9° | 128.9° |
| C2 | C3 | C4 | 118.1° | 118.6° |
| C3 | C2 | H1 | 119.1° | 119.8° |
| C1 | C31 | C30 | 121.2° | 120.2° |
| C1 | C31 | H21 | 119.4° | 119.9° |
| C3 | C29 | C5 | 114.5° | 115.6° |
| C29 | C3 | C4 | 110.0° | 112.6° |
| C3 | C29 | H22 | 122.8° | 122.2° |
| C29 | C5 | C6 | 133.2° | 124.7° |
| C29 | C5 | S | 112.1° | 110.7° |
| C5 | C29 | H22 | 122.7° | 122.2° |
| C3 | C4 | C30 | 120.9° | 119.9° |
| C3 | C4 | S | 112.4° | 109.6° |
| C11 | C8 | C10 | 109.1° | 109.5° |
| C11 | C8 | C7 | 111.1° | 109.5° |
| C8 | C11 | H5 | 109.5° | 109.4° |
| C8 | C11 | H6 | 109.5° | 109.5° |
| C8 | C11 | H7 | 109.4° | 109.5° |
| C10 | C8 | C7 | 109.7° | 109.5° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.4° | 109.5° |
| C8 | C10 | H4 | 109.5° | 109.5° |
| C8 | C7 | N | 112.2° | 109.4° |
| C8 | C7 | C12 | 114.4° | 109.5° |
| C8 | C7 | H27 | 106.8° | 109.4° |
| C31 | C30 | C4 | 119.4° | 120.2° |
| C30 | C31 | H21 | 119.4° | 119.9° |
| C31 | C30 | H23 | 120.3° | 119.9° |
| C6 | C5 | S | 114.7° | 124.7° |
| C5 | C6 | N | 117.1° | 120.0° |
| C5 | C6 | O6 | 120.0° | 120.0° |
| C5 | S | C4 | 91.1° | 91.6° |
| C30 | C4 | S | 126.7° | 130.5° |
| C4 | C30 | H23 | 120.3° | 119.9° |
| C6 | N | C7 | 120.3° | 120.0° |
| N | C6 | O6 | 122.9° | 120.0° |
| C6 | N | H26 | 119.8° | 120.1° |
| N | C7 | C12 | 108.1° | 109.5° |
| C7 | N | H26 | 119.9° | 120.0° |
| N | C7 | H27 | 108.1° | 109.5° |
| C7 | C12 | O5 | 119.5° | 120.0° |
| C7 | C12 | N1 | 118.9° | 120.0° |
| C12 | C7 | H27 | 107.0° | 109.5° |
| O5 | C12 | N1 | 121.5° | 120.0° |
| C12 | N1 | C13 | 126.3° | 125.6° |
| C12 | N1 | C16 | 121.9° | 125.7° |
| N1 | C13 | C14 | 103.4° | 104.8° |
| C13 | N1 | C16 | 111.7° | 108.7° |
| N1 | C13 | H32 | 111.0° | 110.4° |
| N1 | C13 | H33 | 111.0° | 110.4° |
| C13 | C14 | C15 | 103.9° | 101.7° |
| C13 | C14 | H8 | 110.9° | 110.7° |
| C13 | C14 | H9 | 110.9° | 111.2° |
| C14 | C13 | H32 | 111.0° | 110.4° |
| C14 | C13 | H33 | 110.9° | 110.4° |
| N1 | C16 | C17 | 116.3° | 109.9° |
| N1 | C16 | C15 | 103.0° | 107.3° |
| N1 | C16 | H31 | 109.2° | 109.9° |
| O4 | C17 | C16 | 120.7° | 120.0° |
| O4 | C17 | N2 | 121.0° | 120.0° |
| C14 | C15 | C16 | 103.0° | 103.1° |
| C15 | C14 | H8 | 110.9° | 111.0° |
| C15 | C14 | H9 | 110.8° | 111.0° |
| C14 | C15 | H10 | 111.0° | 110.7° |
| C14 | C15 | H11 | 111.1° | 110.7° |
| C17 | C16 | C15 | 111.3° | 109.9° |
| C16 | C17 | N2 | 118.3° | 120.0° |
| C17 | C16 | H31 | 108.3° | 109.8° |
| C16 | C15 | H10 | 111.1° | 110.7° |
| C16 | C15 | H11 | 111.1° | 110.8° |
| C15 | C16 | H31 | 108.4° | 110.0° |
| C17 | N2 | C18 | 120.3° | 119.9° |
| C17 | N2 | C24 | 119.1° | 120.0° |
| C18 | N2 | C24 | 116.6° | 120.0° |
| N2 | C18 | C19 | 120.2° | 120.0° |
| N2 | C18 | C23 | 119.8° | 120.1° |
| N2 | C24 | C25 | 112.3° | 109.5° |
| N2 | C24 | H14 | 108.8° | 109.5° |
| N2 | C24 | H15 | 108.8° | 109.5° |
| C18 | C19 | C20 | 120.2° | 119.9° |
| C19 | C18 | C23 | 119.8° | 119.9° |
| C18 | C19 | H12 | 119.9° | 120.1° |
| C19 | C20 | C21 | 119.0° | 120.0° |
| C20 | C19 | H12 | 119.9° | 120.0° |
| C19 | C20 | H38 | 120.5° | 120.0° |
| C18 | C23 | C22 | 120.2° | 120.0° |
| C18 | C23 | H37 | 119.9° | 120.0° |
| C24 | C25 | C26 | 112.8° | 109.5° |
| C25 | C24 | H14 | 108.8° | 109.5° |
| C25 | C24 | H15 | 108.8° | 109.4° |
| C24 | C25 | H16 | 108.6° | 109.5° |
| C24 | C25 | H17 | 108.7° | 109.5° |
| C20 | C21 | C22 | 121.6° | 120.1° |
| C20 | C21 | BR | 119.2° | 119.9° |
| C21 | C20 | H38 | 120.5° | 120.0° |
| C25 | C26 | O3 | 120.5° | 120.0° |
| C25 | C26 | N3 | 117.9° | 120.0° |
| C26 | C25 | H16 | 108.6° | 109.4° |
| C26 | C25 | H17 | 108.6° | 109.5° |
| C23 | C22 | C21 | 119.1° | 120.1° |
| C23 | C22 | H13 | 120.5° | 120.0° |
| C22 | C23 | H37 | 120.0° | 120.0° |
| C22 | C21 | BR | 119.1° | 119.9° |
| C21 | C22 | H13 | 120.5° | 120.0° |
| O3 | C26 | N3 | 121.5° | 120.0° |
| C26 | N3 | C27 | 122.5° | 120.0° |
| C26 | N3 | C28 | 122.0° | 120.0° |
| C27 | N3 | C28 | 115.4° | 120.0° |
| N3 | C27 | H34 | 109.5° | 109.4° |
| N3 | C27 | H35 | 109.5° | 109.4° |
| N3 | C27 | H36 | 109.5° | 109.5° |
| N3 | C28 | H18 | 109.5° | 109.5° |
| N3 | C28 | H19 | 109.5° | 109.5° |
| N3 | C28 | H20 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H4 | 109.4° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 111.0° |
| H10 | C15 | H11 | 109.4° | 110.6° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H18 | C28 | H20 | 109.5° | 109.4° |
| H19 | C28 | H20 | 109.5° | 109.4° |
| H28 | C9 | H29 | 109.5° | 109.5° |
| H28 | C9 | H30 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.5° |
| H32 | C13 | H33 | 109.5° | 110.5° |
| H34 | C27 | H35 | 109.4° | 109.5° |
| H34 | C27 | H36 | 109.5° | 109.5° |
| H35 | C27 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | P | C | F | 68.9° | 64.9° |
| O | P | O1 | C | 112.3° | 120.0° |
| O | P | O1 | O2 | 129.4° | 120.0° |
| O | P | C | O2 | 123.9° | 120.0° |
| O | P | C | C1 | 56.4° | 175.1° |
| O | P | C | F1 | 179.6° | 55.2° |
| O | P | O2 | H24 | 0.0° | 180.0° |
| O | P | O1 | H25 | 0.0° | 60.0° |
| F | C | P | O1 | 45.1° | 55.1° |
| F | C | P | C1 | 125.4° | 120.0° |
| F | C | P | F1 | 110.6° | 120.0° |
| F | C | P | O2 | 167.1° | 175.1° |
| F | C | C1 | F1 | 111.4° | 120.0° |
| F | C | C1 | C2 | 40.7° | 145.1° |
| F | C | C1 | C31 | 142.3° | 34.9° |
| O1 | P | C | O2 | 122.0° | 120.0° |
| O1 | P | C | C1 | 170.4° | 64.9° |
| O1 | P | C | F1 | 65.6° | 175.2° |
| O1 | P | O2 | H24 | 125.5° | 60.0° |
| C9 | C8 | C11 | C10 | 119.0° | 120.0° |
| C9 | C8 | C11 | C7 | 119.9° | 120.0° |
| C9 | C8 | C10 | C7 | 119.2° | 120.0° |
| C9 | C8 | C7 | N | 63.6° | 179.1° |
| C9 | C8 | C7 | C12 | 172.8° | 61.0° |
| C9 | C8 | C10 | H2 | 180.0° | 60.0° |
| C9 | C8 | C10 | H3 | 60.0° | 60.0° |
| C9 | C8 | C10 | H4 | 60.0° | 180.0° |
| C9 | C8 | C11 | H5 | 180.0° | 180.0° |
| C9 | C8 | C11 | H6 | 60.0° | 60.0° |
| C9 | C8 | C11 | H7 | 60.0° | 60.0° |
| C9 | C8 | C7 | H27 | 54.6° | 59.1° |
| C8 | C9 | H28 | H29 | 120.0° | 120.0° |
| C8 | C9 | H28 | H30 | 120.0° | 120.0° |
| C8 | C9 | H29 | H30 | 120.0° | 119.9° |
| P | C | C1 | F1 | 125.1° | 120.0° |
| P | C | C1 | C2 | 164.2° | 94.8° |
| P | C | C1 | C31 | 18.8° | 85.2° |
| C | P | O2 | H24 | 117.7° | 60.0° |
| C | P | O1 | H25 | 112.3° | 180.0° |
| O2 | P | C | C1 | 67.5° | 55.1° |
| O2 | P | C | F1 | 56.5° | 64.9° |
| O2 | P | O1 | H25 | 129.4° | 60.0° |
| C | C1 | C2 | C31 | 177.2° | 180.0° |
| C | C1 | C2 | C3 | 175.8° | 180.0° |
| C | C1 | C31 | C30 | 176.0° | 180.0° |
| C | C1 | C2 | H1 | 4.2° | 0.3° |
| C | C1 | C31 | H21 | 4.0° | 0.0° |
| F1 | C | C1 | C2 | 70.7° | 25.2° |
| F1 | C | C1 | C31 | 106.3° | 154.9° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C29 | 177.4° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C31 | C30 | 1.1° | 0.0° |
| C2 | C1 | C31 | H21 | 178.9° | 180.0° |
| C3 | C2 | C1 | C31 | 1.4° | 0.0° |
| C2 | C3 | C29 | C4 | 178.0° | 180.0° |
| C2 | C3 | C29 | C5 | 177.1° | 180.0° |
| C2 | C3 | C4 | C30 | 0.9° | 0.0° |
| C2 | C3 | C4 | S | 177.8° | 180.0° |
| C2 | C3 | C29 | H22 | 2.9° | 0.0° |
| C1 | C31 | C30 | H21 | 180.0° | 180.0° |
| C1 | C31 | C30 | C4 | 0.1° | 0.0° |
| C31 | C1 | C2 | H1 | 178.6° | 179.7° |
| C1 | C31 | C30 | H23 | 179.9° | 180.0° |
| C3 | C29 | C5 | H22 | 180.0° | 180.0° |
| C3 | C29 | C5 | C6 | 177.0° | 180.0° |
| C3 | C29 | C5 | S | 0.9° | 0.0° |
| C29 | C3 | C4 | C30 | 179.1° | 180.0° |
| C29 | C3 | C4 | S | 0.5° | 0.0° |
| C29 | C3 | C2 | H1 | 2.6° | 0.3° |
| C5 | C29 | C3 | C4 | 0.9° | 0.0° |
| C29 | C5 | C6 | S | 177.8° | 180.0° |
| C29 | C5 | S | C4 | 0.5° | 0.0° |
| C29 | C5 | C6 | N | 11.6° | 180.0° |
| C29 | C5 | C6 | O6 | 170.0° | 0.0° |
| C3 | C4 | C30 | C31 | 1.1° | 0.1° |
| C3 | C4 | S | C5 | 0.0° | 0.0° |
| C3 | C4 | C30 | S | 178.5° | 180.0° |
| C4 | C3 | C2 | H1 | 179.6° | 179.7° |
| C4 | C3 | C29 | H22 | 179.1° | 180.0° |
| C3 | C4 | C30 | H23 | 178.9° | 180.0° |
| C11 | C8 | C10 | C7 | 121.9° | 120.0° |
| C11 | C8 | C7 | N | 56.3° | 61.0° |
| C11 | C8 | C7 | C12 | 67.2° | 59.0° |
| C11 | C8 | C10 | H2 | 61.1° | 60.0° |
| C11 | C8 | C10 | H3 | 178.9° | 180.0° |
| C11 | C8 | C10 | H4 | 58.9° | 60.0° |
| C8 | C11 | H5 | H6 | 120.0° | 120.0° |
| C8 | C11 | H5 | H7 | 120.0° | 120.0° |
| C8 | C11 | H6 | H7 | 119.9° | 120.0° |
| C11 | C8 | C7 | H27 | 174.6° | 179.0° |
| C11 | C8 | C9 | H28 | 180.0° | 64.7° |
| C11 | C8 | C9 | H29 | 60.0° | 175.3° |
| C11 | C8 | C9 | H30 | 60.0° | 55.3° |
| C10 | C8 | C7 | N | 177.0° | 59.0° |
| C10 | C8 | C7 | C12 | 53.5° | 179.0° |
| C8 | C10 | H2 | H3 | 120.0° | 120.1° |
| C8 | C10 | H2 | H4 | 120.0° | 120.0° |
| C8 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C8 | C11 | H5 | 61.0° | 60.0° |
| C10 | C8 | C11 | H6 | 59.0° | 180.0° |
| C10 | C8 | C11 | H7 | 179.0° | 60.0° |
| C10 | C8 | C7 | H27 | 64.8° | 61.0° |
| C10 | C8 | C9 | H28 | 61.0° | 175.3° |
| C10 | C8 | C9 | H29 | 179.0° | 55.3° |
| C10 | C8 | C9 | H30 | 59.0° | 64.7° |
| C8 | C7 | N | C6 | 145.5° | 85.0° |
| C8 | C7 | N | C12 | 127.0° | 120.0° |
| C8 | C7 | N | H27 | 117.5° | 120.0° |
| C8 | C7 | C12 | H27 | 118.1° | 120.0° |
| C8 | C7 | C12 | O5 | 73.5° | 83.1° |
| C8 | C7 | C12 | N1 | 109.5° | 96.9° |
| C7 | C8 | C10 | H2 | 60.8° | 180.0° |
| C7 | C8 | C10 | H3 | 59.2° | 60.0° |
| C7 | C8 | C10 | H4 | 179.2° | 60.0° |
| C7 | C8 | C11 | H5 | 60.1° | 60.0° |
| C7 | C8 | C11 | H6 | 179.9° | 60.0° |
| C7 | C8 | C11 | H7 | 59.9° | 180.0° |
| C8 | C7 | N | H26 | 34.5° | 95.0° |
| C7 | C8 | C9 | H28 | 58.7° | 55.3° |
| C7 | C8 | C9 | H29 | 61.3° | 64.8° |
| C7 | C8 | C9 | H30 | 178.7° | 175.3° |
| C31 | C30 | C4 | H23 | 180.0° | 179.9° |
| C31 | C30 | C4 | S | 177.3° | 180.0° |
| C6 | C5 | S | C4 | 177.8° | 180.0° |
| C5 | C6 | N | O6 | 178.4° | 180.0° |
| C5 | C6 | N | C7 | 174.2° | 180.0° |
| C6 | C5 | C29 | H22 | 3.0° | 0.0° |
| C5 | C6 | N | H26 | 5.8° | 0.0° |
| C5 | S | C4 | C30 | 178.6° | 180.0° |
| S | C5 | C6 | N | 166.3° | 0.0° |
| S | C5 | C6 | O6 | 12.1° | 180.0° |
| S | C5 | C29 | H22 | 179.1° | 180.0° |
| C4 | C30 | C31 | H21 | 179.9° | 179.9° |
| S | C4 | C30 | H23 | 2.7° | 0.0° |
| C6 | N | C7 | H26 | 180.0° | 180.0° |
| C6 | N | C7 | C12 | 87.5° | 155.0° |
| C6 | N | C7 | H27 | 28.0° | 35.0° |
| C7 | N | C6 | O6 | 4.1° | 0.0° |
| N | C7 | C12 | H27 | 116.2° | 120.1° |
| N | C7 | C12 | O5 | 52.3° | 36.9° |
| N | C7 | C12 | N1 | 124.7° | 143.1° |
| O6 | C6 | N | H26 | 175.9° | 180.0° |
| C7 | C12 | O5 | N1 | 176.9° | 180.0° |
| C7 | C12 | N1 | C13 | 6.6° | 4.7° |
| C7 | C12 | N1 | C16 | 177.7° | 175.6° |
| C12 | C7 | N | H26 | 92.5° | 25.0° |
| O5 | C12 | N1 | C13 | 170.3° | 175.3° |
| O5 | C12 | N1 | C16 | 5.3° | 4.4° |
| O5 | C12 | C7 | H27 | 168.5° | 157.0° |
| C12 | N1 | C13 | C16 | 176.0° | 179.7° |
| C12 | N1 | C13 | C14 | 166.1° | 156.1° |
| C12 | N1 | C16 | C17 | 47.7° | 59.6° |
| C12 | N1 | C16 | C15 | 169.8° | 179.0° |
| N1 | C12 | C7 | H27 | 8.6° | 23.1° |
| C12 | N1 | C16 | H31 | 75.2° | 61.4° |
| C12 | N1 | C13 | H32 | 47.1° | 85.0° |
| C12 | N1 | C13 | H33 | 74.9° | 37.3° |
| N1 | C13 | C14 | H32 | 119.0° | 118.8° |
| N1 | C13 | C14 | H33 | 119.0° | 118.8° |
| N1 | C13 | C14 | C15 | 30.3° | 36.9° |
| C13 | N1 | C16 | C17 | 136.0° | 120.7° |
| C13 | N1 | C16 | C15 | 14.0° | 1.3° |
| N1 | C13 | C14 | H8 | 88.8° | 81.1° |
| N1 | C13 | C14 | H9 | 149.4° | 155.0° |
| C13 | N1 | C16 | H31 | 101.0° | 118.3° |
| N1 | C13 | H32 | H33 | 122.8° | 122.3° |
| C14 | C13 | N1 | C16 | 9.9° | 24.1° |
| C13 | C14 | C15 | H8 | 119.1° | 117.8° |
| C13 | C14 | C15 | H9 | 119.1° | 118.3° |
| C13 | C14 | C15 | C16 | 39.1° | 35.3° |
| C13 | C14 | H8 | H9 | 122.6° | 123.9° |
| C13 | C14 | C15 | H10 | 158.1° | 83.2° |
| C13 | C14 | C15 | H11 | 79.9° | 153.8° |
| C14 | C13 | H32 | H33 | 122.8° | 122.3° |
| N1 | C16 | C17 | O4 | 20.8° | 1.8° |
| N1 | C16 | C15 | C14 | 32.4° | 21.9° |
| N1 | C16 | C17 | C15 | 117.5° | 117.8° |
| N1 | C16 | C17 | H31 | 123.4° | 121.0° |
| N1 | C16 | C15 | H31 | 115.7° | 119.5° |
| N1 | C16 | C17 | N2 | 157.6° | 178.3° |
| N1 | C16 | C15 | H10 | 151.4° | 96.5° |
| N1 | C16 | C15 | H11 | 86.5° | 140.3° |
| C16 | N1 | C13 | H32 | 129.0° | 94.7° |
| C16 | N1 | C13 | H33 | 109.0° | 142.9° |
| O4 | C17 | C16 | N2 | 178.5° | 180.0° |
| O4 | C17 | C16 | C15 | 96.7° | 116.1° |
| O4 | C17 | N2 | C18 | 151.8° | 159.9° |
| O4 | C17 | N2 | C24 | 51.6° | 20.0° |
| O4 | C17 | C16 | H31 | 144.2° | 122.7° |
| C14 | C15 | C16 | C17 | 157.7° | 97.5° |
| C14 | C15 | C16 | H10 | 119.0° | 118.4° |
| C14 | C15 | C16 | H11 | 119.0° | 118.4° |
| C15 | C14 | H8 | H9 | 122.6° | 123.9° |
| C14 | C15 | H10 | H11 | 123.0° | 123.1° |
| C14 | C15 | C16 | H31 | 83.2° | 141.4° |
| C15 | C14 | C13 | H32 | 149.3° | 82.0° |
| C15 | C14 | C13 | H33 | 88.7° | 155.7° |
| C17 | C16 | C15 | H31 | 119.0° | 121.1° |
| C16 | C17 | N2 | C18 | 26.6° | 20.0° |
| C16 | C17 | N2 | C24 | 130.0° | 160.0° |
| C17 | C16 | C15 | H10 | 83.3° | 144.0° |
| C17 | C16 | C15 | H11 | 38.8° | 20.9° |
| C15 | C16 | C17 | N2 | 84.8° | 63.9° |
| C16 | C15 | C14 | H8 | 80.0° | 82.5° |
| C16 | C15 | C14 | H9 | 158.2° | 153.6° |
| C16 | C15 | H10 | H11 | 123.0° | 123.3° |
| C17 | N2 | C18 | C24 | 157.1° | 180.0° |
| C17 | N2 | C18 | C19 | 78.5° | 153.5° |
| C17 | N2 | C18 | C23 | 96.2° | 26.3° |
| C17 | N2 | C24 | C25 | 143.2° | 90.0° |
| C17 | N2 | C24 | H14 | 96.4° | 30.0° |
| C17 | N2 | C24 | H15 | 22.8° | 150.0° |
| N2 | C17 | C16 | H31 | 34.2° | 57.3° |
| N2 | C18 | C19 | C23 | 174.7° | 179.8° |
| N2 | C18 | C19 | C20 | 171.7° | 179.8° |
| C18 | N2 | C24 | C25 | 59.4° | 90.0° |
| N2 | C18 | C23 | C22 | 171.3° | 179.7° |
| N2 | C18 | C19 | H12 | 8.3° | 0.3° |
| C18 | N2 | C24 | H14 | 61.0° | 150.0° |
| C18 | N2 | C24 | H15 | 179.8° | 29.9° |
| N2 | C18 | C23 | H37 | 8.7° | 0.2° |
| C24 | N2 | C18 | C19 | 124.4° | 26.4° |
| C24 | N2 | C18 | C23 | 61.0° | 153.8° |
| N2 | C24 | C25 | H14 | 120.4° | 120.0° |
| N2 | C24 | C25 | H15 | 120.4° | 120.0° |
| N2 | C24 | C25 | C26 | 106.6° | 180.0° |
| N2 | C24 | H14 | H15 | 118.7° | 120.1° |
| N2 | C24 | C25 | H16 | 133.0° | 60.0° |
| N2 | C24 | C25 | H17 | 13.9° | 60.0° |
| C18 | C19 | C20 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C19 | C18 | C23 | C22 | 3.4° | 0.0° |
| C19 | C18 | C23 | H37 | 176.6° | 180.0° |
| C18 | C19 | C20 | H38 | 179.8° | 180.0° |
| C20 | C19 | C18 | C23 | 3.0° | 0.0° |
| C19 | C20 | C21 | H38 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 3.1° | 0.1° |
| C19 | C20 | C21 | BR | 173.6° | 180.0° |
| C18 | C23 | C22 | H37 | 180.0° | 179.9° |
| C18 | C23 | C22 | C21 | 0.6° | 0.0° |
| C23 | C18 | C19 | H12 | 177.0° | 180.0° |
| C18 | C23 | C22 | H13 | 179.4° | 180.0° |
| C24 | C25 | C26 | H16 | 120.5° | 120.0° |
| C24 | C25 | C26 | H17 | 120.5° | 120.1° |
| C24 | C25 | C26 | O3 | 102.9° | 0.0° |
| C24 | C25 | C26 | N3 | 79.9° | 180.0° |
| C25 | C24 | H14 | H15 | 118.7° | 119.9° |
| C24 | C25 | H16 | H17 | 118.5° | 120.1° |
| C20 | C21 | C22 | C23 | 2.7° | 0.1° |
| C20 | C21 | C22 | BR | 176.6° | 179.9° |
| C21 | C20 | C19 | H12 | 179.8° | 180.0° |
| C20 | C21 | C22 | H13 | 177.3° | 180.0° |
| C25 | C26 | O3 | N3 | 177.2° | 180.0° |
| C25 | C26 | N3 | C27 | 99.8° | 180.0° |
| C25 | C26 | N3 | C28 | 81.5° | 0.0° |
| C26 | C25 | C24 | H14 | 13.9° | 60.0° |
| C26 | C25 | C24 | H15 | 133.0° | 60.0° |
| C26 | C25 | H16 | H17 | 118.5° | 119.9° |
| C23 | C22 | C21 | H13 | 180.0° | 180.0° |
| C23 | C22 | C21 | BR | 174.0° | 180.0° |
| C21 | C22 | C23 | H37 | 179.4° | 180.0° |
| C22 | C21 | C20 | H38 | 176.9° | 180.0° |
| BR | C21 | C22 | H13 | 6.0° | 0.0° |
| BR | C21 | C20 | H38 | 6.4° | 0.1° |
| O3 | C26 | N3 | C27 | 83.0° | 0.0° |
| O3 | C26 | N3 | C28 | 95.7° | 180.0° |
| O3 | C26 | C25 | H16 | 136.7° | 120.0° |
| O3 | C26 | C25 | H17 | 17.7° | 120.0° |
| C26 | N3 | C27 | C28 | 178.8° | 180.0° |
| N3 | C26 | C25 | H16 | 40.6° | 60.0° |
| N3 | C26 | C25 | H17 | 159.6° | 60.0° |
| C26 | N3 | C28 | H18 | 180.0° | 89.9° |
| C26 | N3 | C28 | H19 | 60.0° | 150.0° |
| C26 | N3 | C28 | H20 | 60.0° | 30.0° |
| C26 | N3 | C27 | H34 | 180.0° | 0.0° |
| C26 | N3 | C27 | H35 | 60.0° | 120.0° |
| C26 | N3 | C27 | H36 | 60.0° | 120.0° |
| C27 | N3 | C28 | H18 | 1.2° | 90.0° |
| C27 | N3 | C28 | H19 | 121.2° | 30.1° |
| C27 | N3 | C28 | H20 | 118.8° | 150.0° |
| N3 | C27 | H34 | H35 | 120.0° | 119.9° |
| N3 | C27 | H34 | H36 | 120.0° | 120.0° |
| N3 | C27 | H35 | H36 | 120.0° | 120.0° |
| N3 | C28 | H18 | H19 | 120.0° | 120.1° |
| N3 | C28 | H18 | H20 | 120.0° | 120.0° |
| N3 | C28 | H19 | H20 | 119.9° | 120.0° |
| C28 | N3 | C27 | H34 | 1.2° | 180.0° |
| C28 | N3 | C27 | H35 | 118.8° | 60.0° |
| C28 | N3 | C27 | H36 | 121.2° | 60.0° |
| H2 | C10 | H3 | H4 | 120.0° | 119.9° |
| H5 | C11 | H6 | H7 | 120.0° | 120.1° |
| H8 | C14 | C15 | H10 | 39.0° | 159.0° |
| H8 | C14 | C15 | H11 | 161.0° | 36.0° |
| H8 | C14 | C13 | H32 | 30.2° | 160.0° |
| H8 | C14 | C13 | H33 | 152.2° | 37.7° |
| H9 | C14 | C15 | H10 | 82.8° | 35.1° |
| H9 | C14 | C15 | H11 | 39.2° | 87.9° |
| H9 | C14 | C13 | H32 | 91.6° | 36.2° |
| H9 | C14 | C13 | H33 | 30.4° | 86.2° |
| H10 | C15 | C16 | H31 | 35.7° | 23.0° |
| H11 | C15 | C16 | H31 | 157.8° | 100.2° |
| H12 | C19 | C20 | H38 | 0.2° | 0.1° |
| H13 | C22 | C23 | H37 | 0.6° | 0.0° |
| H14 | C24 | C25 | H16 | 106.6° | 60.0° |
| H14 | C24 | C25 | H17 | 134.4° | 180.0° |
| H15 | C24 | C25 | H16 | 12.5° | 180.0° |
| H15 | C24 | C25 | H17 | 106.5° | 60.0° |
| H18 | C28 | H19 | H20 | 120.0° | 119.9° |
| H21 | C31 | C30 | H23 | 0.1° | 0.0° |
| H26 | N | C7 | H27 | 152.0° | 145.0° |
| H28 | C9 | H29 | H30 | 120.0° | 120.0° |
| H34 | C27 | H35 | H36 | 120.0° | 120.1° |
