0Q5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | SI1 | sing | 1.86Å | 1.89Å | |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C31 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N1 | sing | 1.40Å | 1.43Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | N1 | sing | 1.35Å | 1.42Å | Aromatic |
| C8 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.51Å | 1.50Å | |
| C30 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | SI1 | sing | 1.86Å | 1.89Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| SI1 | C24 | sing | 1.86Å | 1.89Å | |
| SI1 | C22 | sing | 1.86Å | 1.89Å | |
| C34 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| N | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C29 | C28 | sing | 1.50Å | 1.52Å | |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C19 | sing | 1.51Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | S | sing | 1.81Å | 1.73Å | |
| O | C19 | sing | 1.43Å | 1.42Å | |
| C36 | N3 | sing | 1.47Å | 1.46Å | |
| C2 | C20 | sing | 1.48Å | 1.49Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C | C27 | sing | 1.48Å | 1.51Å | |
| C28 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C27 | sing | 1.35Å | 1.35Å | |
| N2 | C20 | sing | 1.35Å | 1.39Å | |
| N2 | S | sing | 1.66Å | 1.64Å | |
| C20 | O1 | doub | 1.22Å | 1.24Å | |
| C27 | O4 | doub | 1.22Å | 1.22Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| S | O3 | doub | 1.42Å | 1.43Å | |
| C36 | H1 | sing | 1.09Å | 1.10Å | |
| C36 | H2 | sing | 1.09Å | 1.10Å | |
| C35 | H3 | sing | 1.09Å | 1.10Å | |
| C35 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.08Å | 1.08Å | |
| C32 | H6 | sing | 1.08Å | 1.08Å | |
| C33 | H7 | sing | 1.08Å | 1.08Å | |
| C34 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| O | H27 | sing | 0.97Å | 0.95Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| C1 | H30 | sing | 1.08Å | 1.08Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 113.5° | 109.4° |
| C12 | C11 | H15 | 108.5° | 109.5° |
| C12 | C11 | H16 | 108.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.6° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.4° | 109.5° |
| C11 | C10 | C9 | 111.1° | 109.5° |
| C11 | C10 | H13 | 109.1° | 109.5° |
| C11 | C10 | H14 | 109.1° | 109.5° |
| C10 | C11 | H15 | 108.5° | 109.5° |
| C10 | C11 | H16 | 108.5° | 109.5° |
| C10 | C9 | C8 | 116.5° | 109.5° |
| C10 | C9 | H11 | 107.7° | 109.5° |
| C10 | C9 | H12 | 107.7° | 109.5° |
| C9 | C10 | H13 | 109.1° | 109.5° |
| C9 | C10 | H14 | 109.1° | 109.4° |
| C16 | C17 | C18 | 120.4° | 120.1° |
| C17 | C16 | C15 | 120.0° | 120.1° |
| C16 | C17 | H21 | 119.8° | 120.0° |
| C17 | C16 | H22 | 120.0° | 120.0° |
| C17 | C18 | C13 | 119.6° | 119.9° |
| C17 | C18 | H20 | 120.1° | 120.0° |
| C18 | C17 | H21 | 119.8° | 119.9° |
| C16 | C15 | C14 | 120.4° | 120.0° |
| C15 | C16 | H22 | 120.0° | 119.9° |
| C16 | C15 | H23 | 119.8° | 120.0° |
| C18 | C13 | C14 | 119.9° | 119.9° |
| C18 | C13 | N1 | 120.2° | 120.0° |
| C13 | C18 | H20 | 120.2° | 120.1° |
| C31 | C32 | C33 | 120.0° | 119.9° |
| C32 | C31 | C30 | 120.8° | 120.6° |
| C32 | C31 | H5 | 119.6° | 119.7° |
| C31 | C32 | H6 | 120.0° | 120.1° |
| C32 | C33 | C34 | 120.1° | 119.7° |
| C33 | C32 | H6 | 120.0° | 120.1° |
| C32 | C33 | H7 | 119.9° | 120.2° |
| C15 | C14 | C13 | 119.7° | 120.0° |
| C14 | C15 | H23 | 119.8° | 120.0° |
| C15 | C14 | H24 | 120.2° | 120.0° |
| C26 | SI1 | C25 | 109.6° | 109.5° |
| C26 | SI1 | C24 | 109.6° | 109.4° |
| C26 | SI1 | C22 | 110.1° | 109.5° |
| SI1 | C26 | H36 | 109.5° | 109.5° |
| SI1 | C26 | H37 | 109.5° | 109.5° |
| SI1 | C26 | H38 | 109.5° | 109.5° |
| C9 | C8 | N1 | 125.3° | 126.3° |
| C9 | C8 | C6 | 128.6° | 126.3° |
| C8 | C9 | H11 | 107.7° | 109.5° |
| C8 | C9 | H12 | 107.7° | 109.5° |
| C31 | C30 | C35 | 119.5° | 117.6° |
| C31 | C30 | C29 | 119.3° | 119.5° |
| C30 | C31 | H5 | 119.6° | 119.7° |
| C14 | C13 | N1 | 119.8° | 120.1° |
| C13 | C14 | H24 | 120.2° | 120.0° |
| C13 | N1 | C8 | 130.6° | 125.8° |
| C13 | N1 | N | 119.0° | 125.8° |
| C33 | C34 | C29 | 120.9° | 120.5° |
| C34 | C33 | H7 | 119.9° | 120.1° |
| C33 | C34 | H8 | 119.6° | 119.7° |
| N1 | C8 | C6 | 106.0° | 107.4° |
| C8 | N1 | N | 109.8° | 108.3° |
| C8 | C6 | C5 | 127.5° | 126.4° |
| C8 | C6 | C7 | 106.2° | 107.3° |
| N1 | N | C7 | 106.7° | 108.8° |
| C35 | C30 | C29 | 120.9° | 122.9° |
| C30 | C35 | C36 | 110.4° | 110.9° |
| C30 | C35 | H3 | 109.2° | 109.2° |
| C30 | C35 | H4 | 109.2° | 109.2° |
| C30 | C29 | C34 | 118.9° | 119.8° |
| C30 | C29 | C28 | 121.2° | 122.3° |
| C25 | SI1 | C24 | 109.3° | 109.5° |
| C25 | SI1 | C22 | 110.0° | 109.5° |
| SI1 | C25 | H39 | 109.5° | 109.5° |
| SI1 | C25 | H40 | 109.5° | 109.4° |
| SI1 | C25 | H41 | 109.4° | 109.5° |
| C35 | C36 | N3 | 108.5° | 107.9° |
| C35 | C36 | H1 | 109.7° | 109.7° |
| C35 | C36 | H2 | 109.7° | 109.8° |
| C36 | C35 | H3 | 109.2° | 109.2° |
| C36 | C35 | H4 | 109.2° | 109.2° |
| C24 | SI1 | C22 | 108.2° | 109.5° |
| SI1 | C24 | H42 | 109.5° | 109.5° |
| SI1 | C24 | H43 | 109.4° | 109.4° |
| SI1 | C24 | H44 | 109.5° | 109.4° |
| SI1 | C22 | C21 | 114.3° | 109.5° |
| SI1 | C22 | H34 | 108.2° | 109.5° |
| SI1 | C22 | H35 | 108.2° | 109.4° |
| C34 | C29 | C28 | 119.9° | 117.8° |
| C29 | C34 | H8 | 119.5° | 119.8° |
| C3 | C4 | C5 | 120.8° | 120.2° |
| C4 | C3 | C2 | 120.5° | 120.3° |
| C3 | C4 | H28 | 119.6° | 119.9° |
| C4 | C3 | H29 | 119.7° | 119.8° |
| C4 | C5 | C6 | 118.0° | 120.1° |
| C4 | C5 | C | 119.1° | 119.9° |
| C5 | C4 | H28 | 119.6° | 119.9° |
| C5 | C6 | C7 | 126.0° | 126.3° |
| C6 | C5 | C | 122.8° | 120.1° |
| C6 | C7 | N | 111.2° | 108.1° |
| C6 | C7 | C19 | 127.1° | 125.9° |
| N | C7 | C19 | 121.7° | 125.9° |
| C29 | C28 | N3 | 110.1° | 109.9° |
| C29 | C28 | H9 | 109.3° | 109.5° |
| C29 | C28 | H10 | 109.3° | 109.5° |
| C3 | C2 | C20 | 121.8° | 119.9° |
| C3 | C2 | C1 | 119.1° | 120.1° |
| C2 | C3 | H29 | 119.7° | 119.9° |
| C5 | C | C1 | 119.3° | 119.7° |
| C5 | C | C27 | 122.2° | 120.1° |
| C7 | C19 | O | 103.5° | 109.5° |
| C7 | C19 | H25 | 111.0° | 109.5° |
| C7 | C19 | H26 | 111.0° | 109.5° |
| C22 | C21 | S | 110.1° | 109.5° |
| C22 | C21 | H32 | 109.3° | 109.5° |
| C22 | C21 | H33 | 109.3° | 109.5° |
| C21 | C22 | H34 | 108.3° | 109.5° |
| C21 | C22 | H35 | 108.3° | 109.4° |
| C21 | S | N2 | 99.9° | 104.4° |
| C21 | S | O2 | 109.2° | 110.5° |
| C21 | S | O3 | 110.8° | 110.5° |
| S | C21 | H32 | 109.3° | 109.5° |
| S | C21 | H33 | 109.3° | 109.4° |
| O | C19 | H25 | 111.0° | 109.5° |
| O | C19 | H26 | 111.0° | 109.4° |
| C19 | O | H27 | 109.5° | 114.0° |
| C36 | N3 | C28 | 114.3° | 117.3° |
| C36 | N3 | C27 | 119.4° | 121.4° |
| N3 | C36 | H1 | 109.7° | 109.8° |
| N3 | C36 | H2 | 109.7° | 109.8° |
| C20 | C2 | C1 | 119.0° | 119.9° |
| C2 | C20 | N2 | 116.0° | 120.0° |
| C2 | C20 | O1 | 122.1° | 120.0° |
| C2 | C1 | C | 121.1° | 119.8° |
| C2 | C1 | H30 | 119.5° | 120.1° |
| C1 | C | C27 | 118.5° | 120.2° |
| C | C1 | H30 | 119.5° | 120.1° |
| C | C27 | N3 | 118.0° | 120.0° |
| C | C27 | O4 | 118.2° | 120.0° |
| C28 | N3 | C27 | 126.3° | 121.3° |
| N3 | C28 | H9 | 109.3° | 109.6° |
| N3 | C28 | H10 | 109.3° | 109.0° |
| N3 | C27 | O4 | 122.9° | 120.0° |
| C20 | N2 | S | 118.9° | 120.1° |
| N2 | C20 | O1 | 121.7° | 120.0° |
| C20 | N2 | H31 | 120.5° | 120.0° |
| N2 | S | O2 | 107.1° | 104.3° |
| N2 | S | O3 | 108.6° | 104.3° |
| S | N2 | H31 | 120.5° | 120.0° |
| O2 | S | O3 | 119.3° | 121.1° |
| H1 | C36 | H2 | 109.5° | 109.8° |
| H3 | C35 | H4 | 109.5° | 109.2° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H19 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H25 | C19 | H26 | 109.4° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.4° |
| H36 | C26 | H38 | 109.5° | 109.5° |
| H37 | C26 | H38 | 109.5° | 109.4° |
| H39 | C25 | H40 | 109.5° | 109.5° |
| H39 | C25 | H41 | 109.5° | 109.5° |
| H40 | C25 | H41 | 109.5° | 109.4° |
| H42 | C24 | H43 | 109.5° | 109.5° |
| H42 | C24 | H44 | 109.4° | 109.5° |
| H43 | C24 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H15 | 120.6° | 120.0° |
| C12 | C11 | C10 | H16 | 120.6° | 120.0° |
| C12 | C11 | C10 | C9 | 176.3° | 180.0° |
| C12 | C11 | C10 | H13 | 56.1° | 60.0° |
| C12 | C11 | C10 | H14 | 63.4° | 60.0° |
| C12 | C11 | H15 | H16 | 118.2° | 120.0° |
| C11 | C12 | H17 | H18 | 120.0° | 120.1° |
| C11 | C12 | H17 | H19 | 120.0° | 120.1° |
| C11 | C12 | H18 | H19 | 120.0° | 120.0° |
| C11 | C10 | C9 | H13 | 120.2° | 120.0° |
| C11 | C10 | C9 | H14 | 120.2° | 120.0° |
| C11 | C10 | C9 | C8 | 179.3° | 175.1° |
| C11 | C10 | C9 | H11 | 58.3° | 55.1° |
| C11 | C10 | C9 | H12 | 59.7° | 64.9° |
| C11 | C10 | H13 | H14 | 119.3° | 120.1° |
| C10 | C11 | H15 | H16 | 118.2° | 120.0° |
| C10 | C11 | C12 | H17 | 180.0° | 60.0° |
| C10 | C11 | C12 | H18 | 60.0° | 60.0° |
| C10 | C11 | C12 | H19 | 60.0° | 180.0° |
| C10 | C9 | C8 | H11 | 121.0° | 120.0° |
| C10 | C9 | C8 | H12 | 121.0° | 120.0° |
| C10 | C9 | C8 | N1 | 60.2° | 89.8° |
| C10 | C9 | C8 | C6 | 123.2° | 90.3° |
| C10 | C9 | H11 | H12 | 116.8° | 120.0° |
| C9 | C10 | H13 | H14 | 119.3° | 119.9° |
| C9 | C10 | C11 | H15 | 63.1° | 60.0° |
| C9 | C10 | C11 | H16 | 55.7° | 60.0° |
| C16 | C17 | C18 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | H22 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 0.1° | 0.1° |
| C17 | C16 | C15 | C14 | 0.7° | 0.0° |
| C16 | C17 | C18 | H20 | 179.9° | 179.9° |
| C17 | C16 | C15 | H23 | 179.3° | 179.9° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C17 | C18 | C13 | H20 | 180.0° | 179.9° |
| C17 | C18 | C13 | C14 | 0.6° | 0.0° |
| C17 | C18 | C13 | N1 | 175.8° | 179.8° |
| C18 | C17 | C16 | H22 | 180.0° | 179.9° |
| C16 | C15 | C14 | H23 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.4° | 0.0° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C16 | C15 | C14 | H24 | 178.6° | 179.7° |
| C18 | C13 | C14 | C15 | 1.3° | 0.0° |
| C18 | C13 | C14 | N1 | 176.4° | 179.8° |
| C18 | C13 | N1 | C8 | 120.4° | 45.4° |
| C18 | C13 | N1 | N | 69.1° | 134.8° |
| C13 | C18 | C17 | H21 | 179.9° | 180.0° |
| C18 | C13 | C14 | H24 | 178.7° | 179.7° |
| C31 | C32 | C33 | H6 | 180.0° | 180.0° |
| C32 | C31 | C30 | H5 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.3° |
| C32 | C31 | C30 | C35 | 172.3° | 179.6° |
| C32 | C31 | C30 | C29 | 1.9° | 0.3° |
| C31 | C32 | C33 | H7 | 179.9° | 179.8° |
| C33 | C32 | C31 | C30 | 1.3° | 0.2° |
| C32 | C33 | C34 | H7 | 180.0° | 179.9° |
| C32 | C33 | C34 | C29 | 0.8° | 0.0° |
| C33 | C32 | C31 | H5 | 178.7° | 179.9° |
| C32 | C33 | C34 | H8 | 179.2° | 179.9° |
| C15 | C14 | C13 | H24 | 180.0° | 179.7° |
| C15 | C14 | C13 | N1 | 175.1° | 179.8° |
| C14 | C15 | C16 | H22 | 179.3° | 180.0° |
| C26 | SI1 | C25 | C24 | 120.1° | 120.0° |
| C26 | SI1 | C25 | C22 | 121.3° | 120.0° |
| C26 | SI1 | C24 | C22 | 120.1° | 120.0° |
| C26 | SI1 | C22 | C21 | 56.8° | 180.0° |
| C26 | SI1 | C22 | H34 | 177.6° | 60.0° |
| C26 | SI1 | C22 | H35 | 63.9° | 60.1° |
| SI1 | C26 | H36 | H37 | 120.0° | 120.0° |
| SI1 | C26 | H36 | H38 | 120.0° | 120.1° |
| SI1 | C26 | H37 | H38 | 120.0° | 120.0° |
| C26 | SI1 | C25 | H39 | 180.0° | 59.9° |
| C26 | SI1 | C25 | H40 | 60.0° | 60.1° |
| C26 | SI1 | C25 | H41 | 60.0° | 180.0° |
| C26 | SI1 | C24 | H42 | 180.0° | 60.1° |
| C26 | SI1 | C24 | H43 | 60.0° | 60.0° |
| C26 | SI1 | C24 | H44 | 60.0° | 180.0° |
| C9 | C8 | N1 | C13 | 8.1° | 0.1° |
| C9 | C8 | N1 | C6 | 177.2° | 180.0° |
| C9 | C8 | N1 | N | 179.3° | 180.0° |
| C9 | C8 | C6 | C5 | 5.0° | 0.0° |
| C9 | C8 | C6 | C7 | 178.9° | 179.7° |
| C8 | C9 | H11 | H12 | 116.9° | 120.0° |
| C8 | C9 | C10 | H13 | 60.5° | 64.9° |
| C8 | C9 | C10 | H14 | 59.1° | 55.1° |
| C31 | C30 | C35 | C29 | 174.2° | 179.9° |
| C31 | C30 | C35 | C36 | 160.6° | 159.9° |
| C31 | C30 | C29 | C34 | 1.2° | 0.7° |
| C31 | C30 | C29 | C28 | 179.2° | 178.8° |
| C31 | C30 | C35 | H3 | 40.5° | 39.5° |
| C31 | C30 | C35 | H4 | 79.3° | 79.8° |
| C30 | C31 | C32 | H6 | 178.7° | 179.9° |
| C14 | C13 | N1 | C8 | 56.0° | 134.4° |
| C14 | C13 | N1 | N | 114.5° | 45.5° |
| C14 | C13 | C18 | H20 | 179.4° | 179.9° |
| C13 | C14 | C15 | H23 | 178.6° | 180.0° |
| C13 | N1 | C8 | N | 171.2° | 179.9° |
| C13 | N1 | C8 | C6 | 169.1° | 179.9° |
| C13 | N1 | N | C7 | 170.9° | 179.6° |
| N1 | C13 | C18 | H20 | 4.2° | 0.3° |
| N1 | C13 | C14 | H24 | 4.9° | 0.1° |
| C33 | C34 | C29 | C30 | 0.2° | 0.5° |
| C33 | C34 | C29 | H8 | 180.0° | 179.9° |
| C33 | C34 | C29 | C28 | 179.4° | 179.0° |
| C34 | C33 | C32 | H6 | 179.9° | 179.7° |
| N1 | C8 | C6 | C5 | 172.1° | 180.0° |
| N1 | C8 | C6 | C7 | 1.8° | 0.3° |
| C8 | N1 | N | C7 | 1.5° | 0.3° |
| N1 | C8 | C9 | H11 | 60.8° | 30.3° |
| N1 | C8 | C9 | H12 | 178.8° | 150.2° |
| C6 | C8 | N1 | N | 2.1° | 0.0° |
| C8 | C6 | C5 | C4 | 94.3° | 89.6° |
| C8 | C6 | C5 | C7 | 172.7° | 179.7° |
| C8 | C6 | C7 | N | 1.0° | 0.5° |
| C8 | C6 | C5 | C | 85.8° | 90.3° |
| C8 | C6 | C7 | C19 | 177.2° | 179.7° |
| C6 | C8 | C9 | H11 | 115.8° | 149.7° |
| C6 | C8 | C9 | H12 | 2.2° | 29.7° |
| N1 | N | C7 | C6 | 0.3° | 0.5° |
| N1 | N | C7 | C19 | 178.7° | 179.8° |
| C30 | C35 | C36 | H3 | 120.1° | 120.4° |
| C30 | C35 | C36 | H4 | 120.1° | 120.3° |
| C35 | C30 | C29 | C34 | 173.0° | 179.3° |
| C35 | C30 | C29 | C28 | 6.5° | 1.2° |
| C30 | C35 | C36 | N3 | 53.5° | 47.5° |
| C30 | C35 | C36 | H1 | 66.3° | 72.1° |
| C30 | C35 | C36 | H2 | 173.4° | 167.1° |
| C30 | C35 | H3 | H4 | 119.6° | 119.3° |
| C35 | C30 | C31 | H5 | 7.6° | 0.5° |
| C29 | C30 | C35 | C36 | 25.2° | 20.2° |
| C30 | C29 | C34 | C28 | 179.5° | 179.5° |
| C30 | C29 | C28 | N3 | 15.7° | 11.2° |
| C29 | C30 | C35 | H3 | 145.3° | 140.5° |
| C29 | C30 | C35 | H4 | 94.9° | 100.2° |
| C29 | C30 | C31 | H5 | 178.1° | 179.6° |
| C30 | C29 | C34 | H8 | 179.9° | 179.6° |
| C30 | C29 | C28 | H9 | 135.8° | 131.6° |
| C30 | C29 | C28 | H10 | 104.4° | 108.5° |
| C25 | SI1 | C24 | C22 | 119.8° | 120.0° |
| C25 | SI1 | C22 | C21 | 64.1° | 60.0° |
| C25 | SI1 | C22 | H34 | 56.6° | 180.0° |
| C25 | SI1 | C22 | H35 | 175.2° | 60.0° |
| C25 | SI1 | C26 | H36 | 180.0° | 180.0° |
| C25 | SI1 | C26 | H37 | 60.0° | 60.0° |
| C25 | SI1 | C26 | H38 | 60.0° | 59.9° |
| SI1 | C25 | H39 | H40 | 120.0° | 120.0° |
| SI1 | C25 | H39 | H41 | 120.0° | 120.1° |
| SI1 | C25 | H40 | H41 | 120.0° | 120.0° |
| C25 | SI1 | C24 | H42 | 59.9° | 180.0° |
| C25 | SI1 | C24 | H43 | 60.2° | 60.0° |
| C25 | SI1 | C24 | H44 | 179.8° | 60.0° |
| C35 | C36 | N3 | H1 | 119.8° | 119.6° |
| C35 | C36 | N3 | H2 | 119.9° | 119.6° |
| C35 | C36 | N3 | C28 | 68.5° | 64.0° |
| C35 | C36 | N3 | C27 | 113.2° | 115.8° |
| C35 | C36 | H1 | H2 | 120.4° | 120.8° |
| C36 | C35 | H3 | H4 | 119.6° | 119.3° |
| C24 | SI1 | C22 | C21 | 176.6° | 60.0° |
| C24 | SI1 | C22 | H34 | 62.7° | 60.0° |
| C24 | SI1 | C22 | H35 | 55.9° | 180.0° |
| C24 | SI1 | C26 | H36 | 60.1° | 60.1° |
| C24 | SI1 | C26 | H37 | 59.9° | 179.9° |
| C24 | SI1 | C26 | H38 | 179.9° | 60.0° |
| C24 | SI1 | C25 | H39 | 59.9° | 60.0° |
| C24 | SI1 | C25 | H40 | 179.9° | 180.0° |
| C24 | SI1 | C25 | H41 | 60.1° | 60.1° |
| SI1 | C24 | H42 | H43 | 120.0° | 120.0° |
| SI1 | C24 | H42 | H44 | 120.0° | 119.9° |
| SI1 | C24 | H43 | H44 | 120.0° | 119.9° |
| SI1 | C22 | C21 | H34 | 120.7° | 120.1° |
| SI1 | C22 | C21 | H35 | 120.7° | 119.9° |
| SI1 | C22 | C21 | S | 178.9° | 180.0° |
| SI1 | C22 | C21 | H32 | 58.9° | 60.0° |
| SI1 | C22 | C21 | H33 | 61.0° | 60.0° |
| SI1 | C22 | H34 | H35 | 117.8° | 120.0° |
| C22 | SI1 | C26 | H36 | 58.8° | 60.0° |
| C22 | SI1 | C26 | H37 | 178.8° | 60.0° |
| C22 | SI1 | C26 | H38 | 61.2° | 180.0° |
| C22 | SI1 | C25 | H39 | 58.8° | 180.0° |
| C22 | SI1 | C25 | H40 | 61.3° | 60.0° |
| C22 | SI1 | C25 | H41 | 178.7° | 60.0° |
| C22 | SI1 | C24 | H42 | 59.9° | 59.9° |
| C22 | SI1 | C24 | H43 | 179.9° | 180.0° |
| C22 | SI1 | C24 | H44 | 60.1° | 60.0° |
| C34 | C29 | C28 | N3 | 163.8° | 169.3° |
| C29 | C34 | C33 | H7 | 179.2° | 179.9° |
| C34 | C29 | C28 | H9 | 43.7° | 48.9° |
| C34 | C29 | C28 | H10 | 76.1° | 71.0° |
| C3 | C4 | C5 | H28 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | C3 | C2 | H29 | 180.0° | 180.0° |
| C3 | C4 | C5 | C | 0.6° | 0.0° |
| C4 | C3 | C2 | C20 | 175.3° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C4 | C5 | C6 | C | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 93.1° | 90.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C | C1 | 0.1° | 0.0° |
| C4 | C5 | C | C27 | 179.6° | 179.7° |
| C5 | C4 | C3 | H29 | 179.4° | 180.0° |
| C5 | C6 | C7 | N | 173.0° | 179.8° |
| C5 | C6 | C7 | C19 | 8.8° | 0.0° |
| C6 | C5 | C | C1 | 179.9° | 179.9° |
| C6 | C5 | C | C27 | 0.5° | 0.2° |
| C6 | C5 | C4 | H28 | 0.6° | 0.1° |
| C6 | C7 | N | C19 | 178.3° | 179.8° |
| C7 | C6 | C5 | C | 86.9° | 90.0° |
| C6 | C7 | C19 | O | 98.5° | 89.9° |
| C6 | C7 | C19 | H25 | 142.5° | 150.0° |
| C6 | C7 | C19 | H26 | 20.6° | 30.0° |
| N | C7 | C19 | O | 79.5° | 89.8° |
| N | C7 | C19 | H25 | 39.5° | 30.3° |
| N | C7 | C19 | H26 | 161.4° | 150.3° |
| C29 | C28 | N3 | C36 | 47.2° | 44.0° |
| C29 | C28 | N3 | H9 | 120.1° | 120.3° |
| C29 | C28 | N3 | H10 | 120.1° | 120.0° |
| C29 | C28 | N3 | C27 | 134.7° | 135.7° |
| C28 | C29 | C34 | H8 | 0.6° | 0.9° |
| C29 | C28 | H9 | H10 | 119.7° | 119.9° |
| C3 | C2 | C20 | C1 | 175.6° | 180.0° |
| C3 | C2 | C1 | C | 0.3° | 0.1° |
| C3 | C2 | C20 | N2 | 27.7° | 0.0° |
| C3 | C2 | C20 | O1 | 156.8° | 180.0° |
| C2 | C3 | C4 | H28 | 179.3° | 179.9° |
| C3 | C2 | C1 | H30 | 179.7° | 179.7° |
| C5 | C | C1 | C2 | 0.3° | 0.1° |
| C5 | C | C1 | C27 | 179.5° | 179.7° |
| C5 | C | C27 | N3 | 102.0° | 121.6° |
| C5 | C | C27 | O4 | 67.3° | 58.7° |
| C | C5 | C4 | H28 | 179.4° | 180.0° |
| C5 | C | C1 | H30 | 179.7° | 179.7° |
| C7 | C19 | O | H25 | 119.0° | 120.0° |
| C7 | C19 | O | H26 | 119.1° | 120.0° |
| C7 | C19 | H25 | H26 | 122.8° | 120.0° |
| C7 | C19 | O | H27 | 180.0° | 180.0° |
| C22 | C21 | S | H32 | 120.1° | 120.0° |
| C22 | C21 | S | H33 | 120.1° | 120.0° |
| C22 | C21 | S | N2 | 176.0° | 180.0° |
| C22 | C21 | S | O2 | 71.9° | 68.3° |
| C22 | C21 | S | O3 | 61.5° | 68.4° |
| C22 | C21 | H32 | H33 | 119.7° | 120.0° |
| C21 | C22 | H34 | H35 | 117.8° | 120.0° |
| C21 | S | N2 | C20 | 71.8° | 65.0° |
| C21 | S | N2 | O2 | 113.8° | 116.0° |
| C21 | S | N2 | O3 | 116.0° | 116.0° |
| C21 | S | O2 | O3 | 128.8° | 131.4° |
| C21 | S | N2 | H31 | 108.2° | 115.1° |
| S | C21 | H32 | H33 | 119.7° | 119.9° |
| S | C21 | C22 | H34 | 60.4° | 59.9° |
| S | C21 | C22 | H35 | 58.2° | 60.1° |
| O | C19 | H25 | H26 | 122.8° | 120.0° |
| C36 | N3 | C27 | C | 35.1° | 175.4° |
| C36 | N3 | C28 | C27 | 178.2° | 179.7° |
| C36 | N3 | C27 | O4 | 156.1° | 4.8° |
| N3 | C36 | H1 | H2 | 120.5° | 120.8° |
| N3 | C36 | C35 | H3 | 173.7° | 167.9° |
| N3 | C36 | C35 | H4 | 66.6° | 72.8° |
| C36 | N3 | C28 | H9 | 167.2° | 164.4° |
| C36 | N3 | C28 | H10 | 72.9° | 75.9° |
| C20 | C2 | C1 | C | 176.0° | 179.9° |
| C2 | C20 | N2 | O1 | 175.5° | 180.0° |
| C2 | C20 | N2 | S | 180.0° | 180.0° |
| C20 | C2 | C3 | H29 | 4.6° | 0.0° |
| C20 | C2 | C1 | H30 | 4.0° | 0.3° |
| C2 | C20 | N2 | H31 | 0.0° | 0.1° |
| C2 | C1 | C | H30 | 180.0° | 179.8° |
| C2 | C1 | C | C27 | 179.2° | 179.8° |
| C1 | C2 | C20 | N2 | 147.8° | 180.0° |
| C1 | C2 | C20 | O1 | 27.6° | 0.0° |
| C1 | C2 | C3 | H29 | 179.8° | 179.9° |
| C1 | C | C27 | N3 | 77.5° | 58.1° |
| C1 | C | C27 | O4 | 113.2° | 121.6° |
| C | C27 | N3 | C28 | 146.9° | 4.9° |
| C | C27 | N3 | O4 | 168.8° | 179.8° |
| C27 | C | C1 | H30 | 0.8° | 0.0° |
| C28 | N3 | C27 | O4 | 22.0° | 174.9° |
| C28 | N3 | C36 | H1 | 51.3° | 55.6° |
| C28 | N3 | C36 | H2 | 171.6° | 176.4° |
| N3 | C28 | H9 | H10 | 119.7° | 119.5° |
| C27 | N3 | C36 | H1 | 127.0° | 124.7° |
| C27 | N3 | C36 | H2 | 6.7° | 3.9° |
| C27 | N3 | C28 | H9 | 14.6° | 15.3° |
| C27 | N3 | C28 | H10 | 105.2° | 104.4° |
| C20 | N2 | S | H31 | 180.0° | 179.9° |
| C20 | N2 | S | O2 | 174.4° | 178.9° |
| C20 | N2 | S | O3 | 44.3° | 51.0° |
| S | N2 | C20 | O1 | 4.6° | 0.1° |
| N2 | S | O2 | O3 | 123.8° | 116.8° |
| N2 | S | C21 | H32 | 63.9° | 60.0° |
| N2 | S | C21 | H33 | 55.8° | 60.0° |
| O1 | C20 | N2 | H31 | 175.4° | 180.0° |
| O2 | S | N2 | H31 | 5.6° | 1.0° |
| O2 | S | C21 | H32 | 48.2° | 171.6° |
| O2 | S | C21 | H33 | 168.0° | 51.7° |
| O3 | S | N2 | H31 | 135.7° | 128.9° |
| O3 | S | C21 | H32 | 178.4° | 51.7° |
| O3 | S | C21 | H33 | 58.6° | 171.6° |
| H1 | C36 | C35 | H3 | 53.8° | 48.3° |
| H1 | C36 | C35 | H4 | 173.5° | 167.6° |
| H2 | C36 | C35 | H3 | 66.4° | 72.5° |
| H2 | C36 | C35 | H4 | 53.3° | 46.8° |
| H5 | C31 | C32 | H6 | 1.3° | 0.0° |
| H6 | C32 | C33 | H7 | 0.1° | 0.2° |
| H7 | C33 | C34 | H8 | 0.8° | 0.0° |
| H11 | C9 | C10 | H13 | 178.5° | 175.1° |
| H11 | C9 | C10 | H14 | 61.9° | 64.9° |
| H12 | C9 | C10 | H13 | 60.5° | 55.1° |
| H12 | C9 | C10 | H14 | 179.9° | 175.1° |
| H13 | C10 | C11 | H15 | 176.7° | 180.0° |
| H13 | C10 | C11 | H16 | 64.5° | 60.0° |
| H14 | C10 | C11 | H15 | 57.2° | 60.0° |
| H14 | C10 | C11 | H16 | 176.0° | 180.0° |
| H15 | C11 | C12 | H17 | 59.4° | 180.0° |
| H15 | C11 | C12 | H18 | 60.6° | 60.0° |
| H15 | C11 | C12 | H19 | 179.4° | 60.0° |
| H16 | C11 | C12 | H17 | 59.4° | 60.0° |
| H16 | C11 | C12 | H18 | 179.4° | NaN° |
| H16 | C11 | C12 | H19 | 60.6° | 60.1° |
| H17 | C12 | H18 | H19 | 120.0° | 119.9° |
| H20 | C18 | C17 | H21 | 0.1° | 0.1° |
| H21 | C17 | C16 | H22 | 0.0° | 0.0° |
| H22 | C16 | C15 | H23 | 0.7° | 0.1° |
| H23 | C15 | C14 | H24 | 1.4° | 0.4° |
| H25 | C19 | O | H27 | 61.0° | 60.0° |
| H26 | C19 | O | H27 | 60.9° | 60.0° |
| H28 | C4 | C3 | H29 | 0.6° | 0.0° |
| H32 | C21 | C22 | H34 | 179.6° | 180.0° |
| H32 | C21 | C22 | H35 | 61.8° | 60.0° |
| H33 | C21 | C22 | H34 | 59.8° | 60.0° |
| H33 | C21 | C22 | H35 | 178.4° | 180.0° |
| H36 | C26 | H37 | H38 | 120.0° | 120.0° |
| H39 | C25 | H40 | H41 | 120.0° | 120.0° |
| H42 | C24 | H43 | H44 | 120.0° | 120.0° |
