MIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P | doub | 1.48Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| F | C | sing | 1.40Å | 1.37Å | |
| O | P | sing | 1.61Å | 1.53Å | |
| P | C | sing | 1.82Å | 1.82Å | |
| P | O2 | sing | 1.61Å | 1.50Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C | F1 | sing | 1.40Å | 1.35Å | |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.40Å | Aromatic |
| C1 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C3 | sing | 1.40Å | 1.44Å | Aromatic |
| C30 | C5 | doub | 1.34Å | 1.34Å | 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 | 1.56Å | |
| C32 | C31 | doub | 1.37Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.48Å | |
| C5 | S | sing | 1.76Å | 1.76Å | Aromatic |
| C4 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | S | sing | 1.76Å | 1.74Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.35Å | |
| N | C7 | sing | 1.47Å | 1.45Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C7 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | O5 | doub | 1.21Å | 1.21Å | |
| C12 | N1 | sing | 1.35Å | 1.35Å | |
| C13 | N1 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.55Å | 1.51Å | |
| N1 | C16 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| O4 | C17 | doub | 1.21Å | 1.22Å | |
| C16 | C15 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | C25 | sing | 1.46Å | 1.47Å | |
| N2 | C18 | sing | 1.40Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.41Å | 1.39Å | Aromatic |
| C22 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C20 | N3 | sing | 1.35Å | 1.40Å | Aromatic |
| C29 | N4 | sing | 1.46Å | 1.46Å | |
| C27 | O3 | doub | 1.21Å | 1.22Å | |
| C27 | N4 | sing | 1.35Å | 1.35Å | |
| S1 | C21 | sing | 1.71Å | 1.73Å | Aromatic |
| N3 | C21 | doub | 1.28Å | 1.29Å | Aromatic |
| N4 | C28 | sing | 1.47Å | 1.46Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.08Å | 1.08Å | |
| C31 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.08Å | 1.08Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.08Å | 1.08Å | |
| C23 | H36 | sing | 1.08Å | 1.08Å | |
| C19 | H37 | sing | 1.08Å | 1.08Å | |
| C21 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P | O | 107.0° | 109.4° |
| O1 | P | C | 103.7° | 109.5° |
| O1 | P | O2 | 113.7° | 109.5° |
| C9 | C8 | C11 | 108.5° | 109.5° |
| C9 | C8 | C10 | 108.6° | 109.4° |
| C9 | C8 | C7 | 110.3° | 109.5° |
| C8 | C9 | H2 | 109.5° | 109.4° |
| C8 | C9 | H3 | 109.5° | 109.5° |
| C8 | C9 | H4 | 109.5° | 109.5° |
| F | C | P | 111.1° | 109.5° |
| F | C | C1 | 110.9° | 109.4° |
| F | C | F1 | 105.9° | 109.5° |
| O | P | C | 101.4° | 109.5° |
| O | P | O2 | 115.2° | 109.5° |
| P | O | H9 | 109.5° | 114.1° |
| C | P | O2 | 114.5° | 109.5° |
| P | C | C1 | 114.0° | 109.5° |
| P | C | F1 | 107.6° | 109.4° |
| P | O2 | H8 | 109.5° | 114.0° |
| C1 | C | F1 | 106.8° | 109.5° |
| C | C1 | C2 | 117.6° | 119.6° |
| C | C1 | C32 | 123.1° | 119.6° |
| C1 | C2 | C3 | 121.3° | 120.5° |
| C2 | C1 | C32 | 119.2° | 120.7° |
| C1 | C2 | H1 | 119.4° | 119.8° |
| C2 | C3 | C30 | 131.1° | 128.8° |
| C2 | C3 | C4 | 118.2° | 118.6° |
| C3 | C2 | H1 | 119.4° | 119.8° |
| C1 | C32 | C31 | 121.2° | 120.2° |
| C1 | C32 | H7 | 119.4° | 119.9° |
| C3 | C30 | C5 | 114.2° | 115.6° |
| C30 | C3 | C4 | 110.6° | 112.6° |
| C3 | C30 | H5 | 122.9° | 122.2° |
| C30 | C5 | C6 | 131.7° | 124.7° |
| C30 | C5 | S | 112.3° | 110.6° |
| C5 | C30 | H5 | 122.9° | 122.2° |
| C3 | C4 | C31 | 121.0° | 119.9° |
| C3 | C4 | S | 112.1° | 109.5° |
| C11 | C8 | C10 | 108.8° | 109.5° |
| C11 | C8 | C7 | 111.9° | 109.5° |
| C8 | C11 | H12 | 109.5° | 109.5° |
| C8 | C11 | H13 | 109.5° | 109.5° |
| C8 | C11 | H14 | 109.5° | 109.5° |
| C10 | C8 | C7 | 108.7° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C8 | C10 | H16 | 109.5° | 109.5° |
| C8 | C10 | H17 | 109.4° | 109.5° |
| C8 | C7 | N | 113.9° | 109.4° |
| C8 | C7 | C12 | 114.6° | 109.5° |
| C8 | C7 | H11 | 106.1° | 109.5° |
| C32 | C31 | C4 | 119.1° | 120.2° |
| C32 | C31 | H6 | 120.4° | 120.0° |
| C31 | C32 | H7 | 119.4° | 119.9° |
| C6 | C5 | S | 115.7° | 124.7° |
| C5 | C6 | N | 117.0° | 120.1° |
| C5 | C6 | O6 | 119.9° | 120.0° |
| C5 | S | C4 | 90.8° | 91.6° |
| C31 | C4 | S | 126.9° | 130.6° |
| C4 | C31 | H6 | 120.5° | 119.9° |
| C6 | N | C7 | 120.5° | 120.0° |
| N | C6 | O6 | 123.0° | 120.0° |
| C6 | N | H10 | 119.8° | 120.0° |
| N | C7 | C12 | 108.1° | 109.5° |
| C7 | N | H10 | 119.8° | 120.0° |
| N | C7 | H11 | 107.3° | 109.4° |
| C7 | C12 | O5 | 119.5° | 120.0° |
| C7 | C12 | N1 | 119.0° | 120.0° |
| C12 | C7 | H11 | 106.3° | 109.5° |
| O5 | C12 | N1 | 121.5° | 120.0° |
| C12 | N1 | C13 | 126.1° | 125.6° |
| C12 | N1 | C16 | 122.0° | 125.7° |
| N1 | C13 | C14 | 103.1° | 104.7° |
| C13 | N1 | C16 | 111.8° | 108.7° |
| N1 | C13 | H23 | 111.0° | 110.3° |
| N1 | C13 | H24 | 111.0° | 110.4° |
| C13 | C14 | C15 | 103.3° | 101.5° |
| C13 | C14 | H21 | 111.0° | 111.2° |
| C13 | C14 | H22 | 111.0° | 110.9° |
| C14 | C13 | H23 | 111.0° | 110.5° |
| C14 | C13 | H24 | 111.1° | 110.4° |
| N1 | C16 | C15 | 103.4° | 107.3° |
| N1 | C16 | C17 | 114.7° | 109.9° |
| N1 | C16 | H18 | 109.8° | 109.9° |
| C14 | C15 | C16 | 104.3° | 102.9° |
| C14 | C15 | H19 | 110.7° | 110.7° |
| C14 | C15 | H20 | 110.7° | 110.9° |
| C15 | C14 | H21 | 111.0° | 111.0° |
| C15 | C14 | H22 | 111.0° | 111.0° |
| O4 | C17 | C16 | 119.9° | 120.0° |
| O4 | C17 | N2 | 121.5° | 120.0° |
| C15 | C16 | C17 | 110.8° | 109.9° |
| C15 | C16 | H18 | 109.0° | 109.9° |
| C16 | C15 | H19 | 110.7° | 110.7° |
| C16 | C15 | H20 | 110.7° | 110.7° |
| C16 | C17 | N2 | 118.6° | 120.0° |
| C17 | C16 | H18 | 109.0° | 110.0° |
| C17 | N2 | C25 | 119.1° | 120.0° |
| C17 | N2 | C18 | 122.7° | 120.0° |
| C25 | N2 | C18 | 116.2° | 120.0° |
| N2 | C25 | C26 | 112.4° | 109.5° |
| N2 | C25 | H25 | 108.8° | 109.5° |
| N2 | C25 | H26 | 108.7° | 109.5° |
| N2 | C18 | C24 | 120.2° | 119.7° |
| N2 | C18 | C19 | 119.9° | 119.8° |
| C25 | C26 | C27 | 112.6° | 109.5° |
| C26 | C25 | H25 | 108.7° | 109.4° |
| C26 | C25 | H26 | 108.7° | 109.4° |
| C25 | C26 | H27 | 108.7° | 109.5° |
| C25 | C26 | H28 | 108.7° | 109.5° |
| C18 | C24 | C23 | 120.6° | 120.0° |
| C24 | C18 | C19 | 119.7° | 120.5° |
| C18 | C24 | H35 | 119.7° | 120.0° |
| C24 | C23 | C22 | 119.2° | 120.2° |
| C23 | C24 | H35 | 119.7° | 120.0° |
| C24 | C23 | H36 | 120.4° | 119.9° |
| C18 | C19 | C20 | 120.2° | 120.3° |
| C18 | C19 | H37 | 119.9° | 119.9° |
| C23 | C22 | C20 | 121.4° | 120.4° |
| C23 | C22 | S1 | 129.1° | 131.6° |
| C22 | C23 | H36 | 120.4° | 119.9° |
| C26 | C27 | O3 | 120.5° | 119.9° |
| C26 | C27 | N4 | 118.0° | 120.0° |
| C27 | C26 | H27 | 108.7° | 109.5° |
| C27 | C26 | H28 | 108.7° | 109.5° |
| C19 | C20 | C22 | 118.9° | 118.6° |
| C19 | C20 | N3 | 126.4° | 129.6° |
| C20 | C19 | H37 | 119.9° | 119.8° |
| C20 | C22 | S1 | 109.5° | 108.0° |
| C22 | C20 | N3 | 114.7° | 111.8° |
| C22 | S1 | C21 | 88.7° | 90.8° |
| C20 | N3 | C21 | 110.0° | 117.9° |
| C29 | N4 | C27 | 124.4° | 120.0° |
| C29 | N4 | C28 | 115.0° | 120.0° |
| N4 | C29 | H29 | 109.5° | 109.5° |
| N4 | C29 | H30 | 109.5° | 109.5° |
| N4 | C29 | H31 | 109.5° | 109.5° |
| O3 | C27 | N4 | 121.4° | 120.1° |
| C27 | N4 | C28 | 120.6° | 120.0° |
| S1 | C21 | N3 | 117.1° | 111.5° |
| S1 | C21 | H38 | 121.4° | 124.2° |
| N3 | C21 | H38 | 121.5° | 124.3° |
| N4 | C28 | H32 | 109.5° | 109.5° |
| N4 | C28 | H33 | 109.4° | 109.4° |
| N4 | C28 | H34 | 109.5° | 109.5° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H2 | C9 | H4 | 109.5° | 109.5° |
| H3 | C9 | H4 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.4° | 109.4° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 110.7° |
| H21 | C14 | H22 | 109.5° | 110.9° |
| H23 | C13 | H24 | 109.5° | 110.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H29 | C29 | H30 | 109.5° | 109.4° |
| H29 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H32 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P | C | F | 57.8° | 65.0° |
| O1 | P | O | C | 108.3° | 120.0° |
| O1 | P | O | O2 | 127.5° | 120.0° |
| O1 | P | C | O2 | 124.4° | 120.0° |
| O1 | P | C | C1 | 68.3° | 175.1° |
| O1 | P | C | F1 | 173.4° | 55.1° |
| O1 | P | O2 | H8 | 0.0° | 175.2° |
| O1 | P | O | H9 | 0.0° | 60.0° |
| C9 | C8 | C11 | C10 | 118.0° | 120.0° |
| C9 | C8 | C11 | C7 | 121.9° | 120.0° |
| C9 | C8 | C10 | C7 | 120.0° | 120.0° |
| C9 | C8 | C7 | N | 52.9° | 54.7° |
| C9 | C8 | C7 | C12 | 178.1° | 65.3° |
| C8 | C9 | H2 | H3 | 120.0° | 120.0° |
| C8 | C9 | H2 | H4 | 120.0° | 120.0° |
| C8 | C9 | H3 | H4 | 120.0° | 120.0° |
| C9 | C8 | C7 | H11 | 64.9° | 174.6° |
| C9 | C8 | C11 | H12 | 180.0° | 60.0° |
| C9 | C8 | C11 | H13 | 60.0° | 180.0° |
| C9 | C8 | C11 | H14 | 60.0° | 60.0° |
| C9 | C8 | C10 | H15 | 180.0° | 65.0° |
| C9 | C8 | C10 | H16 | 60.0° | 175.0° |
| C9 | C8 | C10 | H17 | 60.0° | 55.0° |
| F | C | P | O | 53.1° | 175.0° |
| F | C | P | C1 | 126.1° | 120.0° |
| F | C | P | F1 | 115.6° | 120.0° |
| F | C | P | O2 | 177.7° | 55.0° |
| F | C | C1 | F1 | 115.0° | 120.1° |
| F | C | C1 | C2 | 29.5° | 25.3° |
| F | C | C1 | C32 | 154.9° | 154.8° |
| O | P | C | O2 | 124.6° | 120.0° |
| O | P | C | C1 | 179.2° | 55.1° |
| O | P | C | F1 | 62.5° | 64.9° |
| O | P | O2 | H8 | 124.1° | 64.9° |
| P | C | C1 | F1 | 118.8° | 120.0° |
| P | C | C1 | C2 | 155.8° | 94.7° |
| P | C | C1 | C32 | 28.6° | 85.2° |
| C | P | O2 | H8 | 118.9° | 55.2° |
| C | P | O | H9 | 108.3° | 180.0° |
| O2 | P | C | C1 | 56.1° | 64.9° |
| O2 | P | C | F1 | 62.2° | 175.1° |
| O2 | P | O | H9 | 127.5° | 60.0° |
| C | C1 | C2 | C32 | 175.8° | 179.9° |
| C | C1 | C2 | C3 | 175.4° | 179.9° |
| C | C1 | C32 | C31 | 174.8° | 180.0° |
| C | C1 | C2 | H1 | 4.6° | 0.0° |
| C | C1 | C32 | H7 | 5.2° | 0.2° |
| F1 | C | C1 | C2 | 85.5° | 145.3° |
| F1 | C | C1 | C32 | 90.1° | 34.8° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C30 | 177.7° | 179.7° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C32 | C31 | 0.7° | 0.1° |
| C2 | C1 | C32 | H7 | 179.2° | 179.9° |
| C3 | C2 | C1 | C32 | 0.4° | 0.0° |
| C2 | C3 | C30 | C4 | 178.0° | 179.8° |
| C2 | C3 | C30 | C5 | 177.1° | 179.8° |
| C2 | C3 | C4 | C31 | 0.3° | 0.1° |
| C2 | C3 | C4 | S | 178.6° | 179.9° |
| C2 | C3 | C30 | H5 | 2.9° | 0.3° |
| C1 | C32 | C31 | H7 | 180.0° | 179.9° |
| C1 | C32 | C31 | C4 | 0.8° | 0.0° |
| C32 | C1 | C2 | H1 | 179.6° | 179.9° |
| C1 | C32 | C31 | H6 | 179.1° | 180.0° |
| C3 | C30 | C5 | H5 | 180.0° | 180.0° |
| C3 | C30 | C5 | C6 | 171.0° | 179.9° |
| C3 | C30 | C5 | S | 1.8° | 0.3° |
| C30 | C3 | C4 | C31 | 178.0° | 179.7° |
| C30 | C3 | C4 | S | 0.3° | 0.2° |
| C30 | C3 | C2 | H1 | 2.3° | 0.2° |
| C5 | C30 | C3 | C4 | 1.0° | 0.0° |
| C30 | C5 | C6 | S | 172.6° | 179.6° |
| C30 | C5 | S | C4 | 1.6° | 0.3° |
| C30 | C5 | C6 | N | 1.8° | 179.6° |
| C30 | C5 | C6 | O6 | 174.6° | 0.4° |
| C3 | C4 | C31 | C32 | 0.6° | 0.0° |
| C3 | C4 | S | C5 | 1.0° | 0.3° |
| C3 | C4 | C31 | S | 178.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.8° | 180.0° |
| C4 | C3 | C30 | H5 | 179.0° | 179.9° |
| C3 | C4 | C31 | H6 | 179.3° | 180.0° |
| C11 | C8 | C10 | C7 | 122.0° | 120.0° |
| C11 | C8 | C7 | N | 67.9° | 65.4° |
| C11 | C8 | C7 | C12 | 57.3° | 174.7° |
| C11 | C8 | C9 | H2 | 180.0° | 60.0° |
| C11 | C8 | C9 | H3 | 60.0° | 180.0° |
| C11 | C8 | C9 | H4 | 60.0° | 59.9° |
| C11 | C8 | C7 | H11 | 174.3° | 54.6° |
| C8 | C11 | H12 | H13 | 120.0° | 120.1° |
| C8 | C11 | H12 | H14 | 120.0° | 120.0° |
| C8 | C11 | H13 | H14 | 120.0° | 120.0° |
| C11 | C8 | C10 | H15 | 62.1° | 175.0° |
| C11 | C8 | C10 | H16 | 177.9° | 55.0° |
| C11 | C8 | C10 | H17 | 57.9° | 65.0° |
| C10 | C8 | C7 | N | 171.9° | 174.6° |
| C10 | C8 | C7 | C12 | 62.9° | 54.7° |
| C10 | C8 | C9 | H2 | 61.9° | 180.0° |
| C10 | C8 | C9 | H3 | 178.1° | 60.0° |
| C10 | C8 | C9 | H4 | 58.1° | 60.1° |
| C10 | C8 | C7 | H11 | 54.1° | 65.4° |
| C10 | C8 | C11 | H12 | 62.0° | 60.0° |
| C10 | C8 | C11 | H13 | 58.0° | 60.0° |
| C10 | C8 | C11 | H14 | 178.0° | 180.0° |
| C8 | C10 | H15 | H16 | 120.0° | 120.1° |
| C8 | C10 | H15 | H17 | 120.0° | 120.0° |
| C8 | C10 | H16 | H17 | 120.0° | 120.0° |
| C8 | C7 | N | C6 | 155.8° | 85.0° |
| C8 | C7 | N | C12 | 128.6° | 120.0° |
| C8 | C7 | N | H11 | 117.1° | 120.0° |
| C8 | C7 | C12 | H11 | 116.9° | 120.1° |
| C8 | C7 | C12 | O5 | 67.3° | 81.2° |
| C8 | C7 | C12 | N1 | 114.5° | 98.9° |
| C7 | C8 | C9 | H2 | 57.2° | 60.0° |
| C7 | C8 | C9 | H3 | 62.8° | 59.9° |
| C7 | C8 | C9 | H4 | 177.2° | 180.0° |
| C8 | C7 | N | H10 | 24.2° | 95.1° |
| C7 | C8 | C11 | H12 | 58.1° | 180.0° |
| C7 | C8 | C11 | H13 | 178.1° | 60.0° |
| C7 | C8 | C11 | H14 | 61.9° | 60.0° |
| C7 | C8 | C10 | H15 | 60.0° | 55.0° |
| C7 | C8 | C10 | H16 | 60.0° | 65.0° |
| C7 | C8 | C10 | H17 | 180.0° | 174.9° |
| C32 | C31 | C4 | H6 | 180.0° | 180.0° |
| C32 | C31 | C4 | S | 178.6° | 180.0° |
| C6 | C5 | S | C4 | 172.4° | 180.0° |
| C5 | C6 | N | O6 | 176.2° | 180.0° |
| C5 | C6 | N | C7 | 170.5° | 180.0° |
| C6 | C5 | C30 | H5 | 9.0° | 0.1° |
| C5 | C6 | N | H10 | 9.5° | 0.0° |
| C5 | S | C4 | C31 | 177.1° | 179.6° |
| S | C5 | C6 | N | 174.3° | 0.1° |
| S | C5 | C6 | O6 | 2.0° | 179.9° |
| S | C5 | C30 | H5 | 178.2° | 179.7° |
| C4 | C31 | C32 | H7 | 179.1° | 179.9° |
| S | C4 | C31 | H6 | 1.4° | 0.0° |
| C6 | N | C7 | H10 | 180.0° | 179.9° |
| C6 | N | C7 | C12 | 75.6° | 155.0° |
| C6 | N | C7 | H11 | 38.7° | 35.0° |
| C7 | N | C6 | O6 | 5.7° | 0.0° |
| N | C7 | C12 | H11 | 114.9° | 120.0° |
| N | C7 | C12 | O5 | 60.9° | 38.8° |
| N | C7 | C12 | N1 | 117.4° | 141.2° |
| O6 | C6 | N | H10 | 174.2° | 180.0° |
| C7 | C12 | O5 | N1 | 178.2° | 180.0° |
| C7 | C12 | N1 | C13 | 1.4° | 4.0° |
| C7 | C12 | N1 | C16 | 179.1° | 175.8° |
| C12 | C7 | N | H10 | 104.4° | 24.9° |
| O5 | C12 | N1 | C13 | 176.9° | 176.0° |
| O5 | C12 | N1 | C16 | 0.8° | 4.2° |
| O5 | C12 | C7 | H11 | 175.9° | 158.7° |
| C12 | N1 | C13 | C16 | 177.9° | 179.8° |
| C12 | N1 | C13 | C14 | 158.5° | 155.8° |
| C12 | N1 | C16 | C15 | 178.5° | 178.9° |
| C12 | N1 | C16 | C17 | 57.8° | 59.5° |
| N1 | C12 | C7 | H11 | 2.4° | 21.2° |
| C12 | N1 | C16 | H18 | 65.4° | 61.6° |
| C12 | N1 | C13 | H23 | 39.5° | 85.3° |
| C12 | N1 | C13 | H24 | 82.5° | 37.0° |
| N1 | C13 | C14 | H23 | 119.0° | 118.8° |
| N1 | C13 | C14 | H24 | 119.0° | 118.8° |
| N1 | C13 | C14 | C15 | 34.3° | 37.3° |
| C13 | N1 | C16 | C15 | 3.5° | 1.3° |
| C13 | N1 | C16 | C17 | 124.2° | 120.7° |
| C13 | N1 | C16 | H18 | 112.6° | 118.2° |
| N1 | C13 | C14 | H21 | 84.7° | 80.9° |
| N1 | C13 | C14 | H22 | 153.4° | 155.3° |
| N1 | C13 | H23 | H24 | 122.9° | 122.3° |
| C14 | C13 | N1 | C16 | 19.4° | 24.4° |
| C13 | C14 | C15 | H21 | 119.0° | 118.3° |
| C13 | C14 | C15 | H22 | 119.0° | 118.0° |
| C13 | C14 | C15 | C16 | 37.2° | 35.7° |
| C13 | C14 | C15 | H19 | 156.3° | 154.0° |
| C13 | C14 | C15 | H20 | 82.0° | 82.7° |
| C13 | C14 | H21 | H22 | 122.8° | 123.9° |
| C14 | C13 | H23 | H24 | 123.0° | 122.4° |
| N1 | C16 | C15 | C14 | 25.1° | 22.2° |
| N1 | C16 | C17 | O4 | 33.3° | 3.4° |
| N1 | C16 | C15 | C17 | 123.3° | 119.4° |
| N1 | C16 | C15 | H18 | 116.8° | 119.5° |
| N1 | C16 | C17 | H18 | 123.6° | 121.1° |
| N1 | C16 | C17 | N2 | 145.9° | 176.7° |
| N1 | C16 | C15 | H19 | 144.2° | 140.6° |
| N1 | C16 | C15 | H20 | 94.1° | 96.4° |
| C16 | N1 | C13 | H23 | 138.4° | 94.5° |
| C16 | N1 | C13 | H24 | 99.6° | 143.2° |
| C14 | C15 | C16 | H19 | 119.1° | 118.4° |
| C14 | C15 | C16 | H20 | 119.2° | 118.6° |
| C14 | C15 | C16 | C17 | 148.4° | 97.2° |
| C14 | C15 | C16 | H18 | 91.7° | 141.7° |
| C14 | C15 | H19 | H20 | 122.4° | 123.4° |
| C15 | C14 | H21 | H22 | 122.9° | 123.9° |
| C15 | C14 | C13 | H23 | 153.3° | 81.5° |
| C15 | C14 | C13 | H24 | 84.6° | 156.1° |
| O4 | C17 | C16 | C15 | 83.2° | 121.2° |
| O4 | C17 | C16 | N2 | 179.1° | 179.9° |
| O4 | C17 | N2 | C25 | 11.9° | 18.0° |
| O4 | C17 | N2 | C18 | 175.4° | 162.0° |
| O4 | C17 | C16 | H18 | 156.9° | 117.7° |
| C15 | C16 | C17 | H18 | 119.9° | 121.1° |
| C15 | C16 | C17 | N2 | 97.6° | 58.9° |
| C16 | C15 | H19 | H20 | 122.4° | 123.1° |
| C16 | C15 | C14 | H21 | 81.8° | 82.6° |
| C16 | C15 | C14 | H22 | 156.2° | 153.6° |
| C16 | C17 | N2 | C25 | 167.2° | 161.9° |
| C16 | C17 | N2 | C18 | 3.7° | 18.1° |
| C17 | C16 | C15 | H19 | 92.5° | 21.1° |
| C17 | C16 | C15 | H20 | 29.2° | 144.2° |
| C17 | N2 | C25 | C18 | 164.5° | 180.0° |
| C17 | N2 | C25 | C26 | 97.1° | 95.3° |
| C17 | N2 | C18 | C24 | 95.0° | 152.0° |
| C17 | N2 | C18 | C19 | 88.5° | 28.3° |
| N2 | C17 | C16 | H18 | 22.3° | 62.2° |
| C17 | N2 | C25 | H25 | 23.3° | 144.7° |
| C17 | N2 | C25 | H26 | 142.5° | 24.7° |
| N2 | C25 | C26 | H25 | 120.5° | 120.0° |
| N2 | C25 | C26 | H26 | 120.4° | 120.1° |
| C25 | N2 | C18 | C24 | 68.9° | 28.0° |
| C25 | N2 | C18 | C19 | 107.5° | 151.8° |
| N2 | C25 | C26 | C27 | 72.0° | 175.2° |
| N2 | C25 | H25 | H26 | 118.7° | 120.1° |
| N2 | C25 | C26 | H27 | 48.5° | 64.8° |
| N2 | C25 | C26 | H28 | 167.5° | 55.1° |
| C18 | N2 | C25 | C26 | 98.3° | 84.7° |
| N2 | C18 | C24 | C19 | 176.5° | 179.7° |
| N2 | C18 | C24 | C23 | 176.2° | 180.0° |
| N2 | C18 | C19 | C20 | 175.7° | 179.7° |
| C18 | N2 | C25 | H25 | 141.2° | 35.3° |
| C18 | N2 | C25 | H26 | 22.1° | 155.3° |
| N2 | C18 | C24 | H35 | 3.8° | 0.0° |
| N2 | C18 | C19 | H37 | 4.3° | 0.0° |
| C25 | C26 | C27 | H27 | 120.5° | 120.0° |
| C25 | C26 | C27 | H28 | 120.5° | 120.0° |
| C25 | C26 | C27 | O3 | 50.1° | 0.0° |
| C25 | C26 | C27 | N4 | 131.5° | 180.0° |
| C26 | C25 | H25 | H26 | 118.6° | 119.9° |
| C25 | C26 | H27 | H28 | 118.6° | 119.9° |
| C18 | C24 | C23 | H35 | 180.0° | 179.9° |
| C18 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C18 | C19 | C20 | 0.8° | 0.5° |
| C18 | C24 | C23 | H36 | 179.8° | 180.0° |
| C24 | C18 | C19 | H37 | 179.2° | 179.8° |
| C23 | C24 | C18 | C19 | 0.3° | 0.2° |
| C24 | C23 | C22 | H36 | 180.0° | 179.9° |
| C24 | C23 | C22 | C20 | 0.3° | 0.0° |
| C24 | C23 | C22 | S1 | 179.7° | 180.0° |
| C18 | C19 | C20 | H37 | 180.0° | 179.7° |
| C18 | C19 | C20 | C22 | 0.7° | 0.5° |
| C18 | C19 | C20 | N3 | 179.7° | 179.8° |
| C19 | C18 | C24 | H35 | 179.7° | 179.7° |
| C23 | C22 | C20 | C19 | 0.1° | 0.2° |
| C23 | C22 | C20 | S1 | 179.5° | 180.0° |
| C23 | C22 | C20 | N3 | 179.8° | 180.0° |
| C23 | C22 | S1 | C21 | 179.7° | 180.0° |
| C22 | C23 | C24 | H35 | 179.8° | 180.0° |
| C26 | C27 | N4 | C29 | 45.3° | 0.0° |
| C26 | C27 | O3 | N4 | 178.4° | 180.0° |
| C26 | C27 | N4 | C28 | 135.4° | 180.0° |
| C27 | C26 | C25 | H25 | 167.5° | 55.2° |
| C27 | C26 | C25 | H26 | 48.4° | 64.8° |
| C27 | C26 | H27 | H28 | 118.6° | 120.0° |
| C19 | C20 | C22 | N3 | 179.6° | 179.8° |
| C19 | C20 | C22 | S1 | 179.4° | 179.7° |
| C19 | C20 | N3 | C21 | 179.4° | 179.7° |
| C20 | C22 | S1 | C21 | 0.2° | 0.0° |
| C22 | C20 | N3 | C21 | 0.2° | 0.0° |
| C20 | C22 | C23 | H36 | 179.7° | 180.0° |
| C22 | C20 | C19 | H37 | 179.3° | 179.8° |
| S1 | C22 | C20 | N3 | 0.3° | 0.0° |
| C22 | S1 | C21 | N3 | 0.1° | 0.0° |
| S1 | C22 | C23 | H36 | 0.3° | 0.1° |
| C22 | S1 | C21 | H38 | 179.9° | 179.9° |
| C20 | N3 | C21 | S1 | 0.1° | 0.0° |
| N3 | C20 | C19 | H37 | 0.3° | 0.1° |
| C20 | N3 | C21 | H38 | 180.0° | 179.9° |
| C29 | N4 | C27 | O3 | 136.3° | 180.0° |
| C29 | N4 | C27 | C28 | 179.3° | 180.0° |
| N4 | C29 | H29 | H30 | 120.0° | 120.0° |
| N4 | C29 | H29 | H31 | 120.0° | 120.0° |
| N4 | C29 | H30 | H31 | 120.0° | 120.0° |
| C29 | N4 | C28 | H32 | 180.0° | 180.0° |
| C29 | N4 | C28 | H33 | 60.0° | 60.0° |
| C29 | N4 | C28 | H34 | 60.0° | 60.0° |
| O3 | C27 | N4 | C28 | 43.0° | 0.0° |
| O3 | C27 | C26 | H27 | 170.6° | 120.0° |
| O3 | C27 | C26 | H28 | 70.4° | 120.0° |
| N4 | C27 | C26 | H27 | 11.0° | 59.9° |
| N4 | C27 | C26 | H28 | 108.0° | 60.0° |
| C27 | N4 | C29 | H29 | 180.0° | 90.0° |
| C27 | N4 | C29 | H30 | 60.0° | 150.0° |
| C27 | N4 | C29 | H31 | 60.0° | 30.0° |
| C27 | N4 | C28 | H32 | 0.7° | 0.0° |
| C27 | N4 | C28 | H33 | 119.4° | 120.0° |
| C27 | N4 | C28 | H34 | 120.7° | 120.0° |
| S1 | C21 | N3 | H38 | 180.0° | 179.9° |
| C28 | N4 | C29 | H29 | 0.7° | 90.0° |
| C28 | N4 | C29 | H30 | 119.3° | 30.0° |
| C28 | N4 | C29 | H31 | 120.7° | 150.0° |
| N4 | C28 | H32 | H33 | 120.0° | 120.0° |
| N4 | C28 | H32 | H34 | 120.0° | 120.0° |
| N4 | C28 | H33 | H34 | 120.0° | 120.0° |
| H2 | C9 | H3 | H4 | 120.0° | 120.0° |
| H6 | C31 | C32 | H7 | 0.9° | 0.1° |
| H10 | N | C7 | H11 | 141.3° | 145.0° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| H15 | C10 | H16 | H17 | 120.0° | 119.9° |
| H18 | C16 | C15 | H19 | 27.5° | 100.0° |
| H18 | C16 | C15 | H20 | 149.1° | 23.1° |
| H19 | C15 | C14 | H21 | 37.3° | 35.8° |
| H19 | C15 | C14 | H22 | 84.7° | 88.0° |
| H20 | C15 | C14 | H21 | 159.0° | 159.0° |
| H20 | C15 | C14 | H22 | 37.0° | 35.2° |
| H21 | C14 | C13 | H23 | 34.3° | 160.3° |
| H21 | C14 | C13 | H24 | 156.3° | 37.9° |
| H22 | C14 | C13 | H23 | 87.7° | 36.5° |
| H22 | C14 | C13 | H24 | 34.4° | 85.9° |
| H25 | C25 | C26 | H27 | 72.0° | 175.3° |
| H25 | C25 | C26 | H28 | 47.0° | 64.9° |
| H26 | C25 | C26 | H27 | 168.9° | 55.3° |
| H26 | C25 | C26 | H28 | 72.1° | 175.2° |
| H29 | C29 | H30 | H31 | 120.0° | 120.0° |
| H32 | C28 | H33 | H34 | 120.0° | 120.0° |
| H35 | C24 | C23 | H36 | 0.2° | 0.1° |
