MUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.41Å | |
| O2 | P | sing | 1.61Å | 1.58Å | |
| O | P | sing | 1.61Å | 1.47Å | |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| P | C12 | sing | 1.82Å | 1.82Å | |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| O6 | C13 | doub | 1.21Å | 1.23Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | N | sing | 1.46Å | 1.46Å | |
| C12 | C34 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C15 | C14 | sing | 1.55Å | 1.54Å | |
| N | C13 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.54Å | 1.50Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | N1 | sing | 1.47Å | 1.47Å | |
| C17 | N1 | sing | 1.47Å | 1.47Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C20 | S | sing | 1.81Å | 1.79Å | |
| C40 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C18 | sing | 1.35Å | 1.34Å | |
| C36 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| S | O4 | doub | 1.42Å | 1.43Å | |
| S | N2 | sing | 1.66Å | 1.62Å | |
| C39 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | O5 | doub | 1.21Å | 1.22Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C37 | C38 | sing | 1.48Å | 1.48Å | |
| C19 | N2 | sing | 1.47Å | 1.46Å | |
| C19 | C27 | sing | 1.53Å | 1.53Å | |
| C38 | N3 | doub | 1.30Å | 1.34Å | |
| C38 | N4 | sing | 1.38Å | 1.29Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C28 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.08Å | 1.08Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å | |
| N2 | H41 | sing | 0.97Å | 1.00Å | |
| N3 | H42 | sing | 0.97Å | 1.00Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| N4 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.5° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.1° |
| C9 | C8 | H3 | 119.8° | 120.0° |
| C8 | C9 | H5 | 120.0° | 119.9° |
| C8 | C7 | C6 | 119.1° | 120.0° |
| C7 | C8 | H3 | 119.7° | 120.0° |
| C8 | C7 | H40 | 120.4° | 120.0° |
| C9 | C10 | C11 | 120.4° | 120.1° |
| C9 | C10 | H4 | 119.8° | 120.0° |
| C10 | C9 | H5 | 120.0° | 120.0° |
| C7 | C6 | C11 | 120.8° | 119.9° |
| C7 | C6 | O2 | 119.3° | 120.1° |
| C6 | C7 | H40 | 120.5° | 120.0° |
| C10 | C11 | C6 | 119.1° | 119.9° |
| C11 | C10 | H4 | 119.8° | 119.9° |
| C10 | C11 | H8 | 120.4° | 120.1° |
| C11 | C6 | O2 | 119.9° | 120.1° |
| C6 | C11 | H8 | 120.5° | 120.0° |
| C6 | O2 | P | 121.0° | 114.0° |
| O2 | P | O | 113.1° | 102.0° |
| O2 | P | C12 | 107.3° | 102.0° |
| O | P | C12 | 114.9° | 102.0° |
| P | O | H7 | 109.5° | 114.0° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C25 | C24 | C23 | 119.7° | 120.0° |
| C25 | C24 | H20 | 120.2° | 120.0° |
| C24 | C25 | H21 | 119.9° | 120.0° |
| C25 | C26 | C21 | 120.6° | 120.0° |
| C26 | C25 | H21 | 119.9° | 120.0° |
| C25 | C26 | H22 | 119.7° | 120.0° |
| P | C12 | N | 108.4° | 109.5° |
| P | C12 | C34 | 114.8° | 109.5° |
| P | C12 | H9 | 104.3° | 109.5° |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C24 | C23 | H19 | 119.9° | 120.0° |
| C23 | C24 | H20 | 120.2° | 120.0° |
| C26 | C21 | C22 | 118.6° | 120.0° |
| C26 | C21 | C20 | 120.7° | 120.0° |
| C21 | C26 | H22 | 119.7° | 120.0° |
| O6 | C13 | N | 123.4° | 120.0° |
| O6 | C13 | C14 | 120.1° | 120.0° |
| C23 | C22 | C21 | 120.6° | 120.0° |
| C23 | C22 | H18 | 119.7° | 120.0° |
| C22 | C23 | H19 | 119.9° | 120.0° |
| N | C12 | C34 | 113.5° | 109.5° |
| C12 | N | C13 | 116.5° | 120.0° |
| C12 | N | H6 | 121.8° | 120.0° |
| N | C12 | H9 | 108.0° | 109.5° |
| C12 | C34 | C35 | 120.7° | 119.9° |
| C12 | C34 | C40 | 121.1° | 119.8° |
| C34 | C12 | H9 | 107.2° | 109.4° |
| C16 | C15 | C14 | 105.4° | 101.6° |
| C15 | C16 | C17 | 104.1° | 103.0° |
| C16 | C15 | H11 | 110.5° | 111.0° |
| C16 | C15 | H12 | 110.5° | 111.0° |
| C15 | C16 | H13 | 110.8° | 110.7° |
| C15 | C16 | H14 | 110.8° | 110.7° |
| C15 | C14 | C13 | 111.2° | 110.4° |
| C15 | C14 | N1 | 103.6° | 104.9° |
| C15 | C14 | H10 | 110.8° | 110.4° |
| C14 | C15 | H11 | 110.5° | 111.0° |
| C14 | C15 | H12 | 110.5° | 111.0° |
| N | C13 | C14 | 116.5° | 120.0° |
| C13 | N | H6 | 121.7° | 120.0° |
| C13 | C14 | N1 | 108.4° | 110.4° |
| C13 | C14 | H10 | 110.9° | 110.3° |
| C22 | C21 | C20 | 120.7° | 120.0° |
| C21 | C22 | H18 | 119.7° | 120.0° |
| C21 | C20 | S | 112.1° | 109.5° |
| C21 | C20 | H16 | 108.8° | 109.5° |
| C21 | C20 | H17 | 108.8° | 109.5° |
| C16 | C17 | N1 | 103.0° | 107.3° |
| C16 | C17 | H1 | 111.1° | 109.9° |
| C16 | C17 | H2 | 111.1° | 110.0° |
| C17 | C16 | H13 | 110.8° | 110.7° |
| C17 | C16 | H14 | 110.8° | 110.7° |
| C35 | C34 | C40 | 118.1° | 120.3° |
| C34 | C35 | C36 | 121.2° | 120.1° |
| C34 | C35 | H36 | 119.4° | 119.9° |
| C34 | C40 | C39 | 121.1° | 120.1° |
| C34 | C40 | H39 | 119.5° | 119.9° |
| C35 | C36 | C37 | 120.7° | 119.9° |
| C36 | C35 | H36 | 119.4° | 120.0° |
| C35 | C36 | H37 | 119.7° | 120.0° |
| C14 | N1 | C17 | 112.0° | 108.7° |
| C14 | N1 | C18 | 119.0° | 125.6° |
| N1 | C14 | H10 | 111.8° | 110.4° |
| C17 | N1 | C18 | 128.9° | 125.7° |
| N1 | C17 | H1 | 111.1° | 109.9° |
| N1 | C17 | H2 | 111.1° | 109.9° |
| O3 | S | C20 | 107.5° | 110.5° |
| O3 | S | O4 | 119.5° | 121.0° |
| O3 | S | N2 | 107.0° | 104.3° |
| C20 | S | O4 | 107.5° | 110.5° |
| C20 | S | N2 | 108.3° | 104.5° |
| S | C20 | H16 | 108.8° | 109.5° |
| S | C20 | H17 | 108.8° | 109.4° |
| C40 | C39 | C37 | 120.8° | 119.8° |
| C40 | C39 | H38 | 119.6° | 120.1° |
| C39 | C40 | H39 | 119.5° | 120.0° |
| N1 | C18 | O5 | 121.2° | 120.0° |
| N1 | C18 | C19 | 118.4° | 120.0° |
| C36 | C37 | C39 | 118.2° | 119.8° |
| C36 | C37 | C38 | 121.3° | 120.1° |
| C37 | C36 | H37 | 119.7° | 120.1° |
| O4 | S | N2 | 106.6° | 104.3° |
| S | N2 | C19 | 128.1° | 120.0° |
| S | N2 | H41 | 104.7° | 120.0° |
| C39 | C37 | C38 | 120.5° | 120.1° |
| C37 | C39 | H38 | 119.6° | 120.1° |
| O5 | C18 | C19 | 120.3° | 120.0° |
| C18 | C19 | N2 | 113.0° | 109.5° |
| C18 | C19 | C27 | 109.1° | 109.5° |
| C18 | C19 | H15 | 108.4° | 109.5° |
| C37 | C38 | N3 | 118.1° | 120.0° |
| C37 | C38 | N4 | 121.4° | 120.0° |
| N2 | C19 | C27 | 108.5° | 109.4° |
| N2 | C19 | H15 | 109.3° | 109.5° |
| C19 | N2 | H41 | 104.6° | 120.0° |
| C19 | C27 | C28 | 114.2° | 109.5° |
| C27 | C19 | H15 | 108.4° | 109.5° |
| C19 | C27 | H23 | 108.3° | 109.5° |
| C19 | C27 | H24 | 108.3° | 109.5° |
| N3 | C38 | N4 | 120.6° | 120.0° |
| C38 | N3 | H42 | 112.0° | 120.0° |
| C38 | N4 | H43 | 120.0° | 120.0° |
| C38 | N4 | H44 | 120.0° | 120.0° |
| C32 | C33 | C28 | 112.0° | 109.5° |
| C33 | C32 | C31 | 111.2° | 109.5° |
| C33 | C32 | H32 | 109.0° | 109.5° |
| C33 | C32 | H33 | 109.1° | 109.5° |
| C32 | C33 | H34 | 108.8° | 109.5° |
| C32 | C33 | H35 | 108.8° | 109.4° |
| C33 | C28 | C27 | 111.6° | 109.5° |
| C33 | C28 | C29 | 109.2° | 109.5° |
| C33 | C28 | H25 | 108.0° | 109.5° |
| C28 | C33 | H34 | 108.8° | 109.5° |
| C28 | C33 | H35 | 108.8° | 109.5° |
| C32 | C31 | C30 | 110.7° | 109.5° |
| C32 | C31 | H30 | 109.2° | 109.5° |
| C32 | C31 | H31 | 109.2° | 109.5° |
| C31 | C32 | H32 | 109.0° | 109.5° |
| C31 | C32 | H33 | 109.0° | 109.5° |
| C27 | C28 | C29 | 111.8° | 109.5° |
| C28 | C27 | H23 | 108.3° | 109.4° |
| C28 | C27 | H24 | 108.3° | 109.4° |
| C27 | C28 | H25 | 108.0° | 109.4° |
| C28 | C29 | C30 | 112.1° | 109.5° |
| C29 | C28 | H25 | 108.0° | 109.5° |
| C28 | C29 | H26 | 108.8° | 109.5° |
| C28 | C29 | H27 | 108.8° | 109.5° |
| C31 | C30 | C29 | 111.3° | 109.5° |
| C31 | C30 | H28 | 109.0° | 109.5° |
| C31 | C30 | H29 | 109.0° | 109.5° |
| C30 | C31 | H30 | 109.2° | 109.4° |
| C30 | C31 | H31 | 109.2° | 109.4° |
| C30 | C29 | H26 | 108.8° | 109.5° |
| C30 | C29 | H27 | 108.8° | 109.4° |
| C29 | C30 | H28 | 109.0° | 109.4° |
| C29 | C30 | H29 | 109.0° | 109.5° |
| H1 | C17 | H2 | 109.4° | 109.8° |
| H11 | C15 | H12 | 109.5° | 110.9° |
| H13 | C16 | H14 | 109.5° | 110.8° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H23 | C27 | H24 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.4° | 109.4° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.4° | 109.5° |
| H43 | N4 | H44 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H3 | 180.0° | 179.8° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | H4 | 179.8° | 180.0° |
| C9 | C8 | C7 | H40 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C6 | H40 | 180.0° | 179.9° |
| C8 | C7 | C6 | C11 | 0.2° | 0.1° |
| C8 | C7 | C6 | O2 | 179.5° | 179.9° |
| C7 | C8 | C9 | H5 | 179.8° | 180.0° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.1° | 0.0° |
| C10 | C9 | C8 | H3 | 179.8° | 179.7° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.2° | 0.0° |
| C7 | C6 | C11 | O2 | 179.7° | 180.0° |
| C7 | C6 | O2 | P | 93.1° | 90.0° |
| C6 | C7 | C8 | H3 | 180.0° | 179.7° |
| C7 | C6 | C11 | H8 | 179.8° | 180.0° |
| C10 | C11 | C6 | H8 | 180.0° | 179.9° |
| C10 | C11 | C6 | O2 | 179.5° | 180.0° |
| C11 | C10 | C9 | H5 | 179.9° | 180.0° |
| C11 | C6 | O2 | P | 87.2° | 90.0° |
| C6 | C11 | C10 | H4 | 180.0° | 180.0° |
| C11 | C6 | C7 | H40 | 179.8° | 180.0° |
| C6 | O2 | P | O | 34.1° | 69.8° |
| C6 | O2 | P | C12 | 93.7° | 175.0° |
| O2 | C6 | C11 | H8 | 0.5° | 0.0° |
| O2 | C6 | C7 | H40 | 0.5° | 0.0° |
| O2 | P | O | C12 | 123.8° | 105.2° |
| O2 | P | C12 | N | 55.2° | 50.0° |
| O2 | P | C12 | C34 | 176.7° | 70.0° |
| O2 | P | O | H7 | 180.0° | 180.0° |
| O2 | P | C12 | H9 | 59.6° | 170.0° |
| O | P | C12 | N | 178.0° | 55.2° |
| O | P | C12 | C34 | 49.8° | 175.2° |
| O | P | C12 | H9 | 67.2° | 64.8° |
| C24 | C25 | C26 | H21 | 180.0° | 179.6° |
| C25 | C24 | C23 | H20 | 180.0° | 180.0° |
| C24 | C25 | C26 | C21 | 0.4° | 0.7° |
| C25 | C24 | C23 | C22 | 0.3° | 0.0° |
| C25 | C24 | C23 | H19 | 179.7° | 180.0° |
| C24 | C25 | C26 | H22 | 179.6° | 180.0° |
| C26 | C25 | C24 | C23 | 0.2° | 0.3° |
| C25 | C26 | C21 | H22 | 180.0° | 179.3° |
| C25 | C26 | C21 | C22 | 0.9° | 0.7° |
| C25 | C26 | C21 | C20 | 177.2° | 179.6° |
| C26 | C25 | C24 | H20 | 179.8° | 179.6° |
| P | C12 | N | C34 | 128.8° | 120.0° |
| P | C12 | N | H9 | 112.5° | 120.0° |
| P | C12 | C34 | H9 | 115.3° | 120.0° |
| P | C12 | N | C13 | 123.4° | 105.0° |
| P | C12 | C34 | C35 | 115.9° | 95.0° |
| P | C12 | C34 | C40 | 68.5° | 85.3° |
| P | C12 | N | H6 | 56.6° | 75.0° |
| C12 | P | O | H7 | 56.2° | 74.8° |
| C24 | C23 | C22 | H19 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | H18 | 179.8° | 180.0° |
| C23 | C24 | C25 | H21 | 179.8° | 180.0° |
| C26 | C21 | C22 | C23 | 0.8° | 0.3° |
| C26 | C21 | C22 | C20 | 178.1° | 179.7° |
| C26 | C21 | C20 | S | 89.1° | 85.5° |
| C26 | C21 | C20 | H16 | 31.3° | 34.5° |
| C26 | C21 | C20 | H17 | 150.5° | 154.5° |
| C26 | C21 | C22 | H18 | 179.2° | 179.7° |
| C21 | C26 | C25 | H21 | 179.6° | 179.7° |
| O6 | C13 | N | C12 | 9.4° | 0.0° |
| O6 | C13 | C14 | C15 | 76.1° | 84.1° |
| O6 | C13 | N | C14 | 178.7° | 180.0° |
| O6 | C13 | C14 | N1 | 37.1° | 31.4° |
| O6 | C13 | N | H6 | 170.7° | 180.0° |
| O6 | C13 | C14 | H10 | 160.2° | 153.6° |
| C23 | C22 | C21 | H18 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 177.3° | 180.0° |
| C22 | C23 | C24 | H20 | 179.7° | 180.0° |
| N | C12 | C34 | H9 | 119.2° | 120.0° |
| C12 | N | C13 | H6 | 180.0° | 179.9° |
| C12 | N | C13 | C14 | 169.4° | 180.0° |
| N | C12 | C34 | C35 | 118.6° | 145.0° |
| N | C12 | C34 | C40 | 57.0° | 34.8° |
| C34 | C12 | N | C13 | 107.8° | 135.0° |
| C12 | C34 | C35 | C40 | 175.7° | 179.7° |
| C12 | C34 | C35 | C36 | 174.1° | 180.0° |
| C12 | C34 | C40 | C39 | 174.0° | 179.8° |
| C34 | C12 | N | H6 | 72.2° | 45.1° |
| C12 | C34 | C35 | H36 | 5.9° | 0.0° |
| C12 | C34 | C40 | H39 | 6.0° | 0.0° |
| C16 | C15 | C14 | H11 | 119.4° | 118.0° |
| C16 | C15 | C14 | H12 | 119.3° | 118.1° |
| C16 | C15 | C14 | C13 | 132.6° | 155.8° |
| C15 | C16 | C17 | H13 | 119.1° | 118.4° |
| C15 | C16 | C17 | H14 | 119.1° | 118.4° |
| C16 | C15 | C14 | N1 | 16.4° | 37.0° |
| C15 | C16 | C17 | N1 | 34.0° | 22.2° |
| C15 | C16 | C17 | H1 | 84.9° | 97.3° |
| C15 | C16 | C17 | H2 | 153.0° | 141.7° |
| C16 | C15 | C14 | H10 | 103.6° | 81.9° |
| C16 | C15 | H11 | H12 | 121.9° | 123.9° |
| C15 | C16 | H13 | H14 | 122.5° | 123.2° |
| C15 | C14 | C13 | N | 105.1° | 96.0° |
| C15 | C14 | C13 | N1 | 113.2° | 115.4° |
| C15 | C14 | C13 | H10 | 123.7° | 122.3° |
| C14 | C15 | C16 | C17 | 31.6° | 35.5° |
| C15 | C14 | N1 | H10 | 119.3° | 119.0° |
| C15 | C14 | N1 | C17 | 5.4° | 24.1° |
| C15 | C14 | N1 | C18 | 178.0° | 155.9° |
| C14 | C15 | H11 | H12 | 121.9° | 123.9° |
| C14 | C15 | C16 | H13 | 150.8° | 82.9° |
| C14 | C15 | C16 | H14 | 87.5° | 153.9° |
| N | C13 | C14 | N1 | 141.7° | 148.6° |
| C13 | N | C12 | H9 | 10.9° | 15.0° |
| N | C13 | C14 | H10 | 18.6° | 26.4° |
| C13 | C14 | N1 | H10 | 122.5° | 122.2° |
| C13 | C14 | N1 | C17 | 112.8° | 143.0° |
| C13 | C14 | N1 | C18 | 63.9° | 37.0° |
| C14 | C13 | N | H6 | 10.6° | 0.0° |
| C13 | C14 | C15 | H11 | 108.1° | 37.8° |
| C13 | C14 | C15 | H12 | 13.2° | 86.1° |
| C22 | C21 | C20 | S | 89.0° | 94.8° |
| C22 | C21 | C20 | H16 | 150.6° | 145.2° |
| C22 | C21 | C20 | H17 | 31.4° | 25.2° |
| C21 | C22 | C23 | H19 | 179.8° | 180.0° |
| C22 | C21 | C26 | H22 | 179.1° | 180.0° |
| C21 | C20 | S | O3 | 66.7° | 64.4° |
| C21 | C20 | S | H16 | 120.4° | 120.1° |
| C21 | C20 | S | H17 | 120.4° | 120.0° |
| C21 | C20 | S | O4 | 63.2° | 72.3° |
| C21 | C20 | S | N2 | 178.1° | 176.0° |
| C21 | C20 | H16 | H17 | 118.8° | 120.0° |
| C20 | C21 | C22 | H18 | 2.7° | 0.0° |
| C20 | C21 | C26 | H22 | 2.8° | 0.3° |
| C16 | C17 | N1 | C14 | 25.1° | 1.1° |
| C16 | C17 | N1 | H1 | 119.0° | 119.5° |
| C16 | C17 | N1 | H2 | 119.0° | 119.6° |
| C16 | C17 | N1 | C18 | 158.7° | 178.9° |
| C16 | C17 | H1 | H2 | 123.0° | 121.2° |
| C17 | C16 | C15 | H11 | 151.0° | 82.6° |
| C17 | C16 | C15 | H12 | 87.7° | 153.6° |
| C17 | C16 | H13 | H14 | 122.5° | 123.2° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C35 | C34 | C40 | C39 | 1.7° | 0.5° |
| C34 | C35 | C36 | C37 | 0.4° | 0.0° |
| C35 | C34 | C12 | H9 | 0.6° | 25.0° |
| C34 | C35 | C36 | H37 | 179.7° | 180.0° |
| C35 | C34 | C40 | H39 | 178.3° | 179.7° |
| C40 | C34 | C35 | C36 | 1.7° | 0.2° |
| C34 | C40 | C39 | H39 | 180.0° | 179.8° |
| C34 | C40 | C39 | C37 | 0.5° | 0.5° |
| C40 | C34 | C12 | H9 | 176.2° | 154.7° |
| C40 | C34 | C35 | H36 | 178.3° | 179.8° |
| C34 | C40 | C39 | H38 | 179.5° | 179.7° |
| C35 | C36 | C37 | H37 | 180.0° | 179.9° |
| C35 | C36 | C37 | C39 | 0.9° | 0.0° |
| C35 | C36 | C37 | C38 | 178.5° | 180.0° |
| C14 | N1 | C17 | C18 | 176.3° | 180.0° |
| C14 | N1 | C18 | O5 | 3.3° | 4.9° |
| C14 | N1 | C18 | C19 | 178.9° | 175.1° |
| C14 | N1 | C17 | H1 | 93.9° | 120.5° |
| C14 | N1 | C17 | H2 | 144.0° | 118.5° |
| N1 | C14 | C15 | H11 | 135.7° | 81.1° |
| N1 | C14 | C15 | H12 | 103.0° | 155.1° |
| C17 | N1 | C18 | O5 | 172.7° | 175.1° |
| C17 | N1 | C18 | C19 | 5.1° | 4.9° |
| N1 | C17 | H1 | H2 | 123.0° | 121.0° |
| C17 | N1 | C14 | H10 | 124.7° | 94.8° |
| N1 | C17 | C16 | H13 | 153.1° | 96.2° |
| N1 | C17 | C16 | H14 | 85.1° | 140.6° |
| O3 | S | C20 | O4 | 129.9° | 136.8° |
| O3 | S | C20 | N2 | 115.3° | 111.6° |
| O3 | S | O4 | N2 | 121.3° | 116.7° |
| O3 | S | N2 | C19 | 42.5° | 52.7° |
| O3 | S | C20 | H16 | 53.7° | 175.5° |
| O3 | S | C20 | H17 | 172.9° | 55.6° |
| O3 | S | N2 | H41 | 165.0° | 127.3° |
| C20 | S | O4 | N2 | 116.0° | 111.7° |
| C20 | S | N2 | C19 | 73.1° | 63.4° |
| S | C20 | H16 | H17 | 118.8° | 119.9° |
| C20 | S | N2 | H41 | 49.4° | 116.6° |
| C40 | C39 | C37 | C36 | 0.8° | 0.3° |
| C40 | C39 | C37 | H38 | 180.0° | 179.8° |
| C40 | C39 | C37 | C38 | 178.6° | 179.8° |
| N1 | C18 | O5 | C19 | 177.8° | 179.9° |
| N1 | C18 | C19 | N2 | 136.2° | 172.1° |
| N1 | C18 | C19 | C27 | 103.0° | 67.9° |
| C18 | N1 | C17 | H1 | 82.4° | 59.5° |
| C18 | N1 | C17 | H2 | 39.7° | 61.5° |
| C18 | N1 | C14 | H10 | 58.7° | 85.2° |
| N1 | C18 | C19 | H15 | 14.9° | 52.1° |
| C36 | C37 | C39 | C38 | 179.4° | 180.0° |
| C36 | C37 | C38 | N3 | 12.0° | 0.1° |
| C36 | C37 | C38 | N4 | 168.2° | 180.0° |
| C37 | C36 | C35 | H36 | 179.6° | 180.0° |
| C36 | C37 | C39 | H38 | 179.2° | 179.9° |
| O4 | S | N2 | C19 | 171.5° | 179.5° |
| O4 | S | C20 | H16 | 176.4° | 47.7° |
| O4 | S | C20 | H17 | 57.2° | 167.7° |
| O4 | S | N2 | H41 | 66.1° | 0.6° |
| S | N2 | C19 | C18 | 62.5° | 143.2° |
| S | N2 | C19 | H41 | 122.5° | 180.0° |
| S | N2 | C19 | C27 | 176.3° | 96.8° |
| S | N2 | C19 | H15 | 58.3° | 23.2° |
| N2 | S | C20 | H16 | 61.5° | 63.9° |
| N2 | S | C20 | H17 | 57.7° | 56.0° |
| C39 | C37 | C38 | N3 | 167.4° | 180.0° |
| C39 | C37 | C38 | N4 | 12.4° | 0.0° |
| C39 | C37 | C36 | H37 | 179.1° | 180.0° |
| C37 | C39 | C40 | H39 | 179.5° | 179.7° |
| O5 | C18 | C19 | N2 | 41.6° | 7.8° |
| O5 | C18 | C19 | C27 | 79.2° | 112.1° |
| O5 | C18 | C19 | H15 | 162.9° | 127.8° |
| C18 | C19 | N2 | C27 | 121.2° | 120.0° |
| C18 | C19 | N2 | H15 | 120.8° | 120.0° |
| C18 | C19 | C27 | H15 | 117.9° | 120.0° |
| C18 | C19 | C27 | C28 | 64.7° | 66.9° |
| C18 | C19 | C27 | H23 | 56.0° | 173.1° |
| C18 | C19 | C27 | H24 | 174.6° | 53.0° |
| C18 | C19 | N2 | H41 | 60.0° | 36.8° |
| C37 | C38 | N3 | N4 | 179.8° | 180.0° |
| C38 | C37 | C36 | H37 | 1.5° | 0.1° |
| C38 | C37 | C39 | H38 | 1.4° | 0.0° |
| C37 | C38 | N3 | H42 | 179.9° | 179.9° |
| C37 | C38 | N4 | H43 | 179.8° | 0.0° |
| C37 | C38 | N4 | H44 | 0.2° | 180.0° |
| N2 | C19 | C27 | H15 | 118.6° | 120.0° |
| N2 | C19 | C27 | C28 | 171.8° | 53.1° |
| N2 | C19 | C27 | H23 | 67.5° | 67.0° |
| N2 | C19 | C27 | H24 | 51.1° | 173.0° |
| C19 | C27 | C28 | C33 | 71.4° | 75.5° |
| C19 | C27 | C28 | H23 | 120.7° | 120.0° |
| C19 | C27 | C28 | H24 | 120.7° | 120.0° |
| C19 | C27 | C28 | C29 | 166.0° | 164.5° |
| C19 | C27 | H23 | H24 | 117.9° | 120.0° |
| C19 | C27 | C28 | H25 | 47.2° | 44.5° |
| C27 | C19 | N2 | H41 | 61.2° | 83.2° |
| N3 | C38 | N4 | H43 | 0.0° | 180.0° |
| N3 | C38 | N4 | H44 | 180.0° | 0.0° |
| N4 | C38 | N3 | H42 | 0.0° | 0.0° |
| C38 | N4 | H43 | H44 | 180.0° | 179.9° |
| C32 | C33 | C28 | H34 | 120.4° | 120.0° |
| C32 | C33 | C28 | H35 | 120.4° | 120.0° |
| C33 | C32 | C31 | H32 | 120.2° | 120.0° |
| C33 | C32 | C31 | H33 | 120.3° | 120.0° |
| C32 | C33 | C28 | C27 | 179.8° | 180.0° |
| C32 | C33 | C28 | C29 | 55.7° | 60.0° |
| C33 | C32 | C31 | C30 | 55.5° | 60.0° |
| C32 | C33 | C28 | H25 | 61.6° | 60.0° |
| C33 | C32 | C31 | H30 | 64.8° | 180.0° |
| C33 | C32 | C31 | H31 | 175.6° | 60.0° |
| C33 | C32 | H32 | H33 | 119.2° | 120.0° |
| C32 | C33 | H34 | H35 | 118.8° | 120.0° |
| C28 | C33 | C32 | C31 | 56.6° | 60.0° |
| C33 | C28 | C27 | C29 | 122.6° | 120.0° |
| C33 | C28 | C27 | H25 | 118.6° | 120.0° |
| C33 | C28 | C29 | H25 | 117.2° | 120.0° |
| C33 | C28 | C29 | C30 | 55.6° | 60.0° |
| C33 | C28 | C27 | H23 | 167.9° | 164.4° |
| C33 | C28 | C27 | H24 | 49.3° | 44.4° |
| C33 | C28 | C29 | H26 | 176.0° | 180.0° |
| C33 | C28 | C29 | H27 | 64.8° | 60.0° |
| C28 | C33 | C32 | H32 | 176.8° | 60.0° |
| C28 | C33 | C32 | H33 | 63.7° | 180.0° |
| C28 | C33 | H34 | H35 | 118.8° | 120.0° |
| C32 | C31 | C30 | H30 | 120.2° | 120.1° |
| C32 | C31 | C30 | H31 | 120.2° | 120.0° |
| C32 | C31 | C30 | C29 | 55.4° | 60.0° |
| C32 | C31 | C30 | H28 | 175.6° | 60.0° |
| C32 | C31 | C30 | H29 | 64.9° | 180.0° |
| C32 | C31 | H30 | H31 | 119.5° | 120.0° |
| C31 | C32 | H32 | H33 | 119.2° | 120.0° |
| C31 | C32 | C33 | H34 | 177.0° | 60.0° |
| C31 | C32 | C33 | H35 | 63.8° | 180.0° |
| C27 | C28 | C29 | H25 | 118.8° | 120.0° |
| C27 | C28 | C29 | C30 | 179.6° | NaN° |
| C28 | C27 | C19 | H15 | 53.2° | 173.1° |
| C28 | C27 | H23 | H24 | 117.8° | 119.9° |
| C27 | C28 | C29 | H26 | 60.1° | 60.0° |
| C27 | C28 | C29 | H27 | 59.2° | 60.0° |
| C27 | C28 | C33 | H34 | 59.8° | 60.0° |
| C27 | C28 | C33 | H35 | 59.4° | 60.0° |
| C28 | C29 | C30 | C31 | 56.4° | 60.0° |
| C28 | C29 | C30 | H26 | 120.4° | 120.0° |
| C28 | C29 | C30 | H27 | 120.4° | 120.0° |
| C29 | C28 | C27 | H23 | 45.3° | 44.4° |
| C29 | C28 | C27 | H24 | 73.3° | 75.6° |
| C28 | C29 | H26 | H27 | 118.8° | 120.0° |
| C28 | C29 | C30 | H28 | 176.7° | 60.0° |
| C28 | C29 | C30 | H29 | 63.9° | 180.0° |
| C29 | C28 | C33 | H34 | 176.1° | 60.0° |
| C29 | C28 | C33 | H35 | 64.7° | 180.0° |
| C31 | C30 | C29 | H28 | 120.3° | 120.0° |
| C31 | C30 | C29 | H29 | 120.3° | 120.0° |
| C31 | C30 | C29 | H26 | 176.8° | 180.0° |
| C31 | C30 | C29 | H27 | 64.0° | 60.0° |
| C31 | C30 | H28 | H29 | 119.2° | 120.0° |
| C30 | C31 | H30 | H31 | 119.4° | 119.9° |
| C30 | C31 | C32 | H32 | 175.7° | 60.0° |
| C30 | C31 | C32 | H33 | 64.8° | 180.0° |
| C30 | C29 | C28 | H25 | 61.7° | 60.0° |
| C30 | C29 | H26 | H27 | 118.8° | 120.0° |
| C29 | C30 | H28 | H29 | 119.2° | 120.0° |
| C29 | C30 | C31 | H30 | 64.8° | 180.0° |
| C29 | C30 | C31 | H31 | 175.6° | 60.1° |
| H1 | C17 | C16 | H13 | 34.2° | 144.4° |
| H1 | C17 | C16 | H14 | 155.9° | 21.1° |
| H2 | C17 | C16 | H13 | 87.9° | 23.3° |
| H2 | C17 | C16 | H14 | 33.9° | 99.9° |
| H3 | C8 | C9 | H5 | 0.1° | 0.3° |
| H3 | C8 | C7 | H40 | 0.0° | 0.2° |
| H4 | C10 | C9 | H5 | 0.2° | 0.0° |
| H4 | C10 | C11 | H8 | 0.0° | 0.1° |
| H6 | N | C12 | H9 | 169.1° | 165.0° |
| H10 | C14 | C15 | H11 | 15.7° | 160.0° |
| H10 | C14 | C15 | H12 | 137.0° | 36.1° |
| H11 | C15 | C16 | H13 | 89.8° | 159.1° |
| H11 | C15 | C16 | H14 | 31.9° | 35.8° |
| H12 | C15 | C16 | H13 | 31.4° | 35.2° |
| H12 | C15 | C16 | H14 | 153.1° | 88.0° |
| H15 | C19 | C27 | H23 | 173.9° | 53.1° |
| H15 | C19 | C27 | H24 | 67.5° | 67.0° |
| H15 | C19 | N2 | H41 | 179.2° | 156.8° |
| H18 | C22 | C23 | H19 | 0.2° | 0.0° |
| H19 | C23 | C24 | H20 | 0.3° | 0.0° |
| H20 | C24 | C25 | H21 | 0.2° | 0.0° |
| H21 | C25 | C26 | H22 | 0.4° | 0.4° |
| H23 | C27 | C28 | H25 | 73.5° | 75.6° |
| H24 | C27 | C28 | H25 | 167.9° | 164.5° |
| H25 | C28 | C29 | H26 | 58.7° | 60.0° |
| H25 | C28 | C29 | H27 | 178.0° | 180.0° |
| H25 | C28 | C33 | H34 | 58.8° | 180.0° |
| H25 | C28 | C33 | H35 | 178.0° | 60.0° |
| H26 | C29 | C30 | H28 | 62.9° | 60.0° |
| H26 | C29 | C30 | H29 | 56.5° | 60.0° |
| H27 | C29 | C30 | H28 | 56.3° | NaN° |
| H27 | C29 | C30 | H29 | 175.8° | 60.0° |
| H28 | C30 | C31 | H30 | 55.4° | 60.1° |
| H28 | C30 | C31 | H31 | 64.2° | 180.0° |
| H29 | C30 | C31 | H30 | 174.9° | 60.0° |
| H29 | C30 | C31 | H31 | 55.3° | 60.0° |
| H30 | C31 | C32 | H32 | 55.5° | 60.0° |
| H30 | C31 | C32 | H33 | 175.0° | 60.0° |
| H31 | C31 | C32 | H32 | 64.1° | 180.0° |
| H31 | C31 | C32 | H33 | 55.4° | 60.0° |
| H32 | C32 | C33 | H34 | 62.8° | 179.9° |
| H32 | C32 | C33 | H35 | 56.4° | 60.0° |
| H33 | C32 | C33 | H34 | 56.7° | 60.0° |
| H33 | C32 | C33 | H35 | 175.9° | 60.0° |
| H36 | C35 | C36 | H37 | 0.3° | 0.0° |
| H38 | C39 | C40 | H39 | 0.5° | 0.1° |
