62R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C21 | doub | 1.32Å | 1.37Å | Aromatic |
| N3 | C20 | sing | 1.32Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C19 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.50Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C18 | O4 | doub | 1.22Å | 1.23Å | |
| C18 | N2 | sing | 1.35Å | 1.41Å | |
| C25 | C14 | sing | 1.53Å | 1.59Å | |
| N2 | C15 | sing | 1.47Å | 1.51Å | |
| N2 | C14 | sing | 1.47Å | 1.48Å | |
| C24 | F1 | sing | 1.40Å | 1.34Å | |
| C24 | F | sing | 1.40Å | 1.34Å | |
| C24 | F2 | sing | 1.40Å | 1.32Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.59Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.53Å | 1.57Å | |
| C13 | O5 | sing | 1.43Å | 1.46Å | |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| C33 | N1 | sing | 1.47Å | 1.51Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| O5 | C28 | sing | 1.36Å | 1.38Å | |
| C12 | N1 | sing | 1.35Å | 1.43Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| N1 | C11 | sing | 1.47Å | 1.49Å | |
| C34 | N | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C28 | C31 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | C29 | doub | 1.34Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.33Å | 1.37Å | Aromatic |
| N | C10 | sing | 1.47Å | 1.54Å | |
| N | C | sing | 1.40Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C29 | S | sing | 1.76Å | 1.69Å | Aromatic |
| O | C6 | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.36Å | 1.38Å | |
| C | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C30 | C32 | sing | 1.51Å | 1.48Å | |
| C30 | S | sing | 1.76Å | 1.69Å | Aromatic |
| F3 | C32 | sing | 1.40Å | 1.31Å | |
| C9 | O2 | doub | 1.21Å | 1.35Å | |
| C9 | O1 | sing | 1.34Å | 1.22Å | |
| C1 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | F5 | sing | 1.40Å | 1.31Å | |
| C32 | F4 | sing | 1.40Å | 1.32Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C8 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| O1 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N3 | C20 | 117.5° | 121.9° |
| N3 | C21 | C22 | 124.5° | 121.1° |
| N3 | C21 | H22 | 117.8° | 119.5° |
| N3 | C20 | C19 | 122.6° | 120.6° |
| N3 | C20 | H23 | 118.7° | 119.7° |
| C21 | C22 | C23 | 117.2° | 119.3° |
| C21 | C22 | H13 | 121.4° | 120.4° |
| C22 | C21 | H22 | 117.8° | 119.4° |
| C20 | C19 | C23 | 118.2° | 118.9° |
| C20 | C19 | C18 | 116.4° | 120.5° |
| C19 | C20 | H23 | 118.7° | 119.7° |
| C22 | C23 | C19 | 120.0° | 118.3° |
| C22 | C23 | C24 | 120.2° | 120.8° |
| C23 | C22 | H13 | 121.4° | 120.3° |
| C27 | C26 | C25 | 113.0° | 109.4° |
| C27 | C26 | H14 | 108.6° | 109.5° |
| C27 | C26 | H15 | 108.6° | 109.5° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H28 | 109.4° | 109.5° |
| C26 | C27 | H29 | 109.5° | 109.5° |
| C26 | C25 | C14 | 116.6° | 109.4° |
| C25 | C26 | H14 | 108.6° | 109.5° |
| C25 | C26 | H15 | 108.6° | 109.4° |
| C26 | C25 | H25 | 107.7° | 109.5° |
| C26 | C25 | H26 | 107.7° | 109.5° |
| C23 | C19 | C18 | 125.4° | 120.6° |
| C19 | C23 | C24 | 119.9° | 120.9° |
| C19 | C18 | O4 | 120.6° | 119.9° |
| C19 | C18 | N2 | 117.0° | 120.0° |
| C23 | C24 | F1 | 114.8° | 109.5° |
| C23 | C24 | F | 115.7° | 109.5° |
| C23 | C24 | F2 | 111.3° | 109.5° |
| O4 | C18 | N2 | 122.4° | 120.1° |
| C18 | N2 | C15 | 123.3° | 120.6° |
| C18 | N2 | C14 | 119.2° | 120.6° |
| C25 | C14 | N2 | 110.9° | 109.6° |
| C25 | C14 | C13 | 114.8° | 109.6° |
| C25 | C14 | H24 | 106.8° | 109.7° |
| C14 | C25 | H25 | 107.7° | 109.4° |
| C14 | C25 | H26 | 107.7° | 109.5° |
| C15 | N2 | C14 | 117.4° | 118.7° |
| N2 | C15 | C16 | 112.8° | 108.8° |
| N2 | C15 | H11 | 108.6° | 109.6° |
| N2 | C15 | H12 | 108.6° | 109.7° |
| N2 | C14 | C13 | 109.3° | 108.8° |
| N2 | C14 | H24 | 108.0° | 109.6° |
| F1 | C24 | F | 105.3° | 109.4° |
| F1 | C24 | F2 | 104.3° | 109.5° |
| F | C24 | F2 | 104.2° | 109.4° |
| C15 | C16 | C17 | 111.0° | 109.4° |
| C16 | C15 | H11 | 108.6° | 109.6° |
| C16 | C15 | H12 | 108.7° | 109.6° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C15 | C16 | H21 | 109.1° | 109.5° |
| C14 | C13 | C17 | 108.6° | 109.3° |
| C14 | C13 | O5 | 103.0° | 109.5° |
| C14 | C13 | C12 | 110.5° | 109.5° |
| C13 | C14 | H24 | 106.8° | 109.6° |
| C16 | C17 | C13 | 112.4° | 109.5° |
| C16 | C17 | H18 | 108.7° | 109.4° |
| C16 | C17 | H19 | 108.7° | 109.4° |
| C17 | C16 | H20 | 109.1° | 109.5° |
| C17 | C16 | H21 | 109.1° | 109.5° |
| C17 | C13 | O5 | 112.4° | 109.5° |
| C17 | C13 | C12 | 112.0° | 109.5° |
| C13 | C17 | H18 | 108.7° | 109.5° |
| C13 | C17 | H19 | 108.7° | 109.5° |
| O5 | C13 | C12 | 110.0° | 109.5° |
| C13 | O5 | C28 | 124.1° | 117.0° |
| C13 | C12 | N1 | 121.7° | 120.0° |
| C13 | C12 | O3 | 119.4° | 120.0° |
| N1 | C33 | C34 | 109.4° | 108.5° |
| C33 | N1 | C12 | 129.2° | 120.9° |
| C33 | N1 | C11 | 113.7° | 118.2° |
| N1 | C33 | H30 | 109.5° | 109.7° |
| N1 | C33 | H31 | 109.5° | 109.6° |
| C33 | C34 | N | 113.9° | 109.4° |
| C34 | C33 | H30 | 109.5° | 109.6° |
| C34 | C33 | H31 | 109.5° | 109.6° |
| C33 | C34 | H32 | 108.4° | 109.5° |
| C33 | C34 | H33 | 108.4° | 109.5° |
| O5 | C28 | C31 | 122.8° | 122.6° |
| O5 | C28 | C29 | 125.5° | 122.6° |
| N1 | C12 | O3 | 118.8° | 120.0° |
| C12 | N1 | C11 | 117.1° | 120.9° |
| N1 | C11 | C10 | 107.9° | 108.5° |
| N1 | C11 | H9 | 109.8° | 109.6° |
| N1 | C11 | H10 | 109.9° | 109.8° |
| C34 | N | C10 | 113.1° | 111.2° |
| C34 | N | C | 115.5° | 111.0° |
| N | C34 | H32 | 108.4° | 109.4° |
| N | C34 | H33 | 108.4° | 109.5° |
| C11 | C10 | N | 110.2° | 109.4° |
| C11 | C10 | H7 | 109.3° | 109.5° |
| C11 | C10 | H8 | 109.3° | 109.5° |
| C10 | C11 | H9 | 109.9° | 109.6° |
| C10 | C11 | H10 | 109.9° | 109.7° |
| C31 | C28 | C29 | 111.8° | 114.8° |
| C28 | C31 | C30 | 109.4° | 114.9° |
| C28 | C31 | H17 | 125.3° | 122.6° |
| C28 | C29 | S | 113.0° | 109.6° |
| C28 | C29 | H16 | 123.5° | 125.2° |
| C31 | C30 | C32 | 121.2° | 125.2° |
| C31 | C30 | S | 115.8° | 109.7° |
| C30 | C31 | H17 | 125.3° | 122.5° |
| C10 | N | C | 111.8° | 111.0° |
| N | C10 | H7 | 109.3° | 109.5° |
| N | C10 | H8 | 109.3° | 109.5° |
| N | C | C1 | 116.1° | 120.1° |
| N | C | C5 | 125.1° | 120.1° |
| C7 | C8 | C9 | 112.7° | 109.5° |
| C8 | C7 | C6 | 114.4° | 109.5° |
| C8 | C7 | H34 | 108.2° | 109.4° |
| C8 | C7 | H35 | 108.2° | 109.4° |
| C7 | C8 | H36 | 108.6° | 109.4° |
| C7 | C8 | H37 | 108.7° | 109.4° |
| C8 | C9 | O2 | 120.2° | 120.0° |
| C8 | C9 | O1 | 125.4° | 120.0° |
| C9 | C8 | H36 | 108.7° | 109.5° |
| C9 | C8 | H37 | 108.7° | 109.5° |
| C7 | C6 | O | 110.6° | 109.4° |
| C7 | C6 | H5 | 109.2° | 109.5° |
| C7 | C6 | H6 | 109.2° | 109.5° |
| C6 | C7 | H34 | 108.2° | 109.5° |
| C6 | C7 | H35 | 108.2° | 109.5° |
| C29 | S | C30 | 90.1° | 91.0° |
| S | C29 | H16 | 123.5° | 125.2° |
| C6 | O | C1 | 123.1° | 117.0° |
| O | C6 | H5 | 109.2° | 109.5° |
| O | C6 | H6 | 109.2° | 109.5° |
| O | C1 | C | 115.8° | 120.1° |
| O | C1 | C2 | 124.1° | 120.1° |
| C1 | C | C5 | 118.9° | 119.8° |
| C | C1 | C2 | 120.0° | 119.8° |
| C | C5 | C4 | 120.7° | 120.0° |
| C | C5 | H4 | 119.6° | 120.0° |
| C32 | C30 | S | 123.0° | 125.2° |
| C30 | C32 | F3 | 114.7° | 109.4° |
| C30 | C32 | F5 | 112.6° | 109.5° |
| C30 | C32 | F4 | 114.3° | 109.4° |
| F3 | C32 | F5 | 104.5° | 109.5° |
| F3 | C32 | F4 | 103.1° | 109.5° |
| O2 | C9 | O1 | 114.4° | 120.0° |
| C9 | O1 | H38 | 109.5° | 117.0° |
| C1 | C2 | C3 | 119.5° | 120.0° |
| C1 | C2 | H1 | 120.2° | 120.0° |
| C5 | C4 | C3 | 119.4° | 120.2° |
| C5 | C4 | H3 | 120.3° | 119.9° |
| C4 | C5 | H4 | 119.6° | 120.0° |
| F5 | C32 | F4 | 106.6° | 109.5° |
| C2 | C3 | C4 | 121.4° | 120.2° |
| C3 | C2 | H1 | 120.2° | 120.0° |
| C2 | C3 | H2 | 119.3° | 119.9° |
| C4 | C3 | H2 | 119.3° | 119.9° |
| C3 | C4 | H3 | 120.3° | 119.9° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.7° |
| H11 | C15 | H12 | 109.5° | 109.6° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.4° |
| H27 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.4° | 109.7° |
| H32 | C34 | H33 | 109.4° | 109.5° |
| H34 | C7 | H35 | 109.5° | 109.5° |
| H36 | C8 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | N3 | C20 | C19 | 0.0° | 0.4° |
| N3 | C21 | C22 | C23 | 0.1° | 0.1° |
| N3 | C21 | C22 | H13 | 179.9° | 179.7° |
| C21 | N3 | C20 | H23 | 180.0° | 180.0° |
| C20 | N3 | C21 | C22 | 0.1° | 0.1° |
| N3 | C20 | C19 | H23 | 180.0° | 179.6° |
| N3 | C20 | C19 | C23 | 0.0° | 0.6° |
| N3 | C20 | C19 | C18 | 179.2° | 179.9° |
| C20 | N3 | C21 | H22 | 179.9° | 179.9° |
| C21 | C22 | C23 | H13 | 180.0° | 179.7° |
| C21 | C22 | C23 | C19 | 0.1° | 0.3° |
| C21 | C22 | C23 | C24 | 179.7° | 179.7° |
| C20 | C19 | C23 | C22 | 0.0° | 0.5° |
| C20 | C19 | C23 | C18 | 179.2° | 179.5° |
| C20 | C19 | C23 | C24 | 179.6° | 179.5° |
| C20 | C19 | C18 | O4 | 106.6° | 145.0° |
| C20 | C19 | C18 | N2 | 73.7° | 35.1° |
| C22 | C23 | C19 | C24 | 179.5° | 180.0° |
| C22 | C23 | C19 | C18 | 179.2° | 179.9° |
| C22 | C23 | C24 | F1 | 117.0° | 0.1° |
| C22 | C23 | C24 | F | 6.1° | 120.0° |
| C22 | C23 | C24 | F2 | 124.8° | 120.0° |
| C23 | C22 | C21 | H22 | 179.9° | 180.0° |
| C27 | C26 | C25 | H14 | 120.5° | 120.0° |
| C27 | C26 | C25 | H15 | 120.5° | 119.9° |
| C27 | C26 | C25 | C14 | 54.1° | 174.0° |
| C27 | C26 | H14 | H15 | 118.3° | 120.0° |
| C27 | C26 | C25 | H25 | 175.2° | 54.1° |
| C27 | C26 | C25 | H26 | 66.9° | 66.0° |
| C26 | C27 | H27 | H28 | 120.0° | 120.0° |
| C26 | C27 | H27 | H29 | 120.0° | 120.0° |
| C26 | C27 | H28 | H29 | 120.0° | 120.0° |
| C26 | C25 | C14 | H25 | 121.0° | 120.0° |
| C26 | C25 | C14 | H26 | 121.0° | 120.0° |
| C26 | C25 | C14 | N2 | 67.0° | 178.8° |
| C26 | C25 | C14 | C13 | 168.6° | 59.5° |
| C25 | C26 | H14 | H15 | 118.4° | 120.0° |
| C26 | C25 | C14 | H24 | 50.4° | 60.8° |
| C26 | C25 | H25 | H26 | 116.8° | 120.1° |
| C25 | C26 | C27 | H27 | 180.0° | 59.9° |
| C25 | C26 | C27 | H28 | 60.0° | 60.0° |
| C25 | C26 | C27 | H29 | 60.0° | 180.0° |
| C23 | C19 | C18 | O4 | 72.6° | 34.6° |
| C23 | C19 | C18 | N2 | 107.1° | 145.4° |
| C19 | C23 | C24 | F1 | 63.5° | 180.0° |
| C19 | C23 | C24 | F | 173.5° | 60.0° |
| C19 | C23 | C24 | F2 | 54.8° | 60.0° |
| C19 | C23 | C22 | H13 | 179.9° | 180.0° |
| C23 | C19 | C20 | H23 | 180.0° | 179.8° |
| C18 | C19 | C23 | C24 | 1.3° | 0.0° |
| C19 | C18 | O4 | N2 | 179.7° | 180.0° |
| C19 | C18 | N2 | C15 | 13.1° | 3.9° |
| C19 | C18 | N2 | C14 | 171.1° | 176.0° |
| C18 | C19 | C20 | H23 | 0.8° | 0.3° |
| C23 | C24 | F1 | F | 128.5° | 120.0° |
| C23 | C24 | F1 | F2 | 122.1° | 120.1° |
| C23 | C24 | F | F2 | 122.6° | 120.0° |
| C24 | C23 | C22 | H13 | 0.4° | 0.1° |
| O4 | C18 | N2 | C15 | 166.6° | 176.1° |
| O4 | C18 | N2 | C14 | 9.2° | 4.0° |
| C18 | N2 | C14 | C25 | 109.8° | 6.6° |
| C18 | N2 | C15 | C14 | 175.9° | 180.0° |
| C18 | N2 | C15 | C16 | 126.5° | 126.4° |
| C18 | N2 | C14 | C13 | 122.8° | 126.4° |
| C18 | N2 | C15 | H11 | 6.0° | 6.6° |
| C18 | N2 | C15 | H12 | 113.0° | 113.8° |
| C18 | N2 | C14 | H24 | 7.0° | 113.8° |
| C25 | C14 | N2 | C15 | 74.1° | 173.4° |
| C25 | C14 | N2 | C13 | 127.5° | 119.8° |
| C25 | C14 | N2 | H24 | 116.7° | 120.4° |
| C25 | C14 | C13 | H24 | 118.1° | 120.4° |
| C25 | C14 | C13 | C17 | 69.4° | 174.4° |
| C25 | C14 | C13 | O5 | 171.2° | 65.6° |
| C25 | C14 | C13 | C12 | 53.7° | 54.5° |
| C14 | C25 | C26 | H14 | 66.4° | 53.9° |
| C14 | C25 | C26 | H15 | 174.6° | 66.1° |
| C14 | C25 | H25 | H26 | 116.8° | 120.0° |
| N2 | C15 | C16 | H11 | 120.5° | 119.8° |
| N2 | C15 | C16 | H12 | 120.5° | 119.9° |
| C15 | N2 | C14 | C13 | 53.3° | 53.6° |
| N2 | C15 | C16 | C17 | 47.3° | 54.6° |
| N2 | C15 | H11 | H12 | 118.5° | 120.4° |
| N2 | C15 | C16 | H20 | 72.9° | 174.6° |
| N2 | C15 | C16 | H21 | 167.6° | 65.4° |
| C15 | N2 | C14 | H24 | 169.1° | 66.2° |
| C14 | N2 | C15 | C16 | 49.4° | 53.6° |
| N2 | C14 | C13 | H24 | 116.6° | 119.8° |
| N2 | C14 | C13 | C17 | 55.8° | 54.6° |
| N2 | C14 | C13 | O5 | 63.6° | 174.6° |
| N2 | C14 | C13 | C12 | 178.9° | 65.3° |
| C14 | N2 | C15 | H11 | 169.9° | 173.4° |
| C14 | N2 | C15 | H12 | 71.1° | 66.2° |
| N2 | C14 | C25 | H25 | 54.0° | 61.2° |
| N2 | C14 | C25 | H26 | 171.9° | 58.8° |
| F1 | C24 | F | F2 | 109.5° | 120.0° |
| C15 | C16 | C17 | H20 | 120.2° | 120.0° |
| C15 | C16 | C17 | H21 | 120.2° | 120.0° |
| C15 | C16 | C17 | C13 | 54.5° | 61.4° |
| C16 | C15 | H11 | H12 | 118.5° | 120.3° |
| C15 | C16 | C17 | H18 | 175.0° | 178.6° |
| C15 | C16 | C17 | H19 | 65.9° | 58.7° |
| C15 | C16 | H20 | H21 | 119.3° | 120.0° |
| C14 | C13 | C17 | C16 | 58.9° | 61.3° |
| C14 | C13 | C17 | O5 | 113.3° | 120.0° |
| C14 | C13 | C17 | C12 | 122.2° | 120.0° |
| C14 | C13 | O5 | C12 | 117.8° | 120.1° |
| C14 | C13 | O5 | C28 | 171.4° | 60.2° |
| C14 | C13 | C12 | N1 | 69.7° | 165.0° |
| C14 | C13 | C12 | O3 | 111.0° | 15.1° |
| C14 | C13 | C17 | H18 | 179.3° | 178.6° |
| C14 | C13 | C17 | H19 | 61.6° | 58.6° |
| C13 | C14 | C25 | H25 | 70.4° | 179.5° |
| C13 | C14 | C25 | H26 | 47.5° | 60.5° |
| C16 | C17 | C13 | H18 | 120.4° | 120.0° |
| C16 | C17 | C13 | H19 | 120.4° | 120.0° |
| C16 | C17 | C13 | O5 | 54.5° | 178.7° |
| C16 | C17 | C13 | C12 | 178.9° | 58.6° |
| C17 | C16 | C15 | H11 | 167.8° | 174.4° |
| C17 | C16 | C15 | H12 | 73.1° | 65.2° |
| C16 | C17 | H18 | H19 | 118.6° | 119.9° |
| C17 | C16 | H20 | H21 | 119.3° | 120.1° |
| C17 | C13 | O5 | C12 | 125.5° | 120.1° |
| C17 | C13 | O5 | C28 | 71.9° | 59.6° |
| C17 | C13 | C12 | N1 | 169.2° | 75.2° |
| C17 | C13 | C12 | O3 | 10.1° | 104.8° |
| C13 | C17 | H18 | H19 | 118.7° | 120.0° |
| C13 | C17 | C16 | H20 | 65.7° | 178.7° |
| C13 | C17 | C16 | H21 | 174.7° | 58.6° |
| C17 | C13 | C14 | H24 | 172.4° | 65.2° |
| O5 | C13 | C12 | N1 | 43.4° | 44.9° |
| O5 | C13 | C12 | O3 | 135.9° | 135.2° |
| C13 | O5 | C28 | C31 | 178.9° | 179.2° |
| C13 | O5 | C28 | C29 | 0.6° | 1.3° |
| O5 | C13 | C17 | H18 | 66.0° | 58.7° |
| O5 | C13 | C17 | H19 | 174.9° | 61.4° |
| O5 | C13 | C14 | H24 | 53.0° | 54.8° |
| C13 | C12 | N1 | C33 | 8.0° | 3.6° |
| C12 | C13 | O5 | C28 | 53.6° | 179.7° |
| C13 | C12 | N1 | O3 | 179.3° | 180.0° |
| C13 | C12 | N1 | C11 | 174.7° | 176.3° |
| C12 | C13 | C17 | H18 | 58.5° | 61.4° |
| C12 | C13 | C17 | H19 | 60.6° | 178.6° |
| C12 | C13 | C14 | H24 | 64.5° | 174.8° |
| N1 | C33 | C34 | H30 | 120.0° | 119.8° |
| N1 | C33 | C34 | H31 | 120.0° | 119.7° |
| C33 | N1 | C12 | C11 | 177.4° | 180.0° |
| C33 | N1 | C12 | O3 | 172.7° | 176.4° |
| N1 | C33 | C34 | N | 48.3° | 53.9° |
| C33 | N1 | C11 | C10 | 61.9° | 51.1° |
| C33 | N1 | C11 | H9 | 178.3° | 68.5° |
| C33 | N1 | C11 | H10 | 57.8° | 171.0° |
| N1 | C33 | H30 | H31 | 120.1° | 120.5° |
| N1 | C33 | C34 | H32 | 168.9° | 173.8° |
| N1 | C33 | C34 | H33 | 72.4° | 66.1° |
| C34 | C33 | N1 | C12 | 126.7° | 128.8° |
| C34 | C33 | N1 | C11 | 55.8° | 51.2° |
| C33 | C34 | N | H32 | 120.7° | 120.0° |
| C33 | C34 | N | H33 | 120.7° | 120.0° |
| C33 | C34 | N | C10 | 49.1° | 63.1° |
| C33 | C34 | N | C | 179.8° | 172.7° |
| C34 | C33 | H30 | H31 | 120.0° | 120.5° |
| C33 | C34 | H32 | H33 | 118.0° | 120.1° |
| O5 | C28 | C31 | C29 | 179.5° | 179.6° |
| O5 | C28 | C31 | C30 | 179.9° | 180.0° |
| O5 | C28 | C29 | S | 179.9° | 179.8° |
| O5 | C28 | C29 | H16 | 0.1° | 0.2° |
| O5 | C28 | C31 | H17 | 0.0° | 0.1° |
| C12 | N1 | C11 | C10 | 120.3° | 128.8° |
| C12 | N1 | C11 | H9 | 0.5° | 111.5° |
| C12 | N1 | C11 | H10 | 120.0° | 9.0° |
| C12 | N1 | C33 | H30 | 113.3° | 111.4° |
| C12 | N1 | C33 | H31 | 6.7° | 9.1° |
| O3 | C12 | N1 | C11 | 4.7° | 3.6° |
| N1 | C11 | C10 | H9 | 119.7° | 119.7° |
| N1 | C11 | C10 | H10 | 119.8° | 119.9° |
| N1 | C11 | C10 | N | 58.7° | 53.8° |
| N1 | C11 | C10 | H7 | 61.4° | 66.1° |
| N1 | C11 | C10 | H8 | 178.8° | 173.8° |
| N1 | C11 | H9 | H10 | 120.7° | 120.6° |
| C11 | N1 | C33 | H30 | 64.1° | 68.6° |
| C11 | N1 | C33 | H31 | 175.8° | 170.9° |
| C34 | N | C10 | C11 | 54.2° | 63.0° |
| C34 | N | C10 | C | 132.4° | 124.2° |
| C34 | N | C | C1 | 153.4° | 120.0° |
| C34 | N | C | C5 | 28.4° | 60.0° |
| C34 | N | C10 | H7 | 66.0° | 56.9° |
| C34 | N | C10 | H8 | 174.3° | 177.0° |
| N | C34 | C33 | H30 | 71.7° | 65.9° |
| N | C34 | C33 | H31 | 168.3° | 173.6° |
| N | C34 | H32 | H33 | 118.0° | 120.0° |
| C11 | C10 | N | H7 | 120.1° | 119.9° |
| C11 | C10 | N | H8 | 120.1° | 120.0° |
| C11 | C10 | N | C | 173.4° | 172.8° |
| C11 | C10 | H7 | H8 | 119.6° | 120.0° |
| C10 | C11 | H9 | H10 | 120.7° | 120.4° |
| C28 | C31 | C30 | H17 | 180.0° | 179.9° |
| C31 | C28 | C29 | S | 0.4° | 0.2° |
| C28 | C31 | C30 | C32 | 179.3° | 179.9° |
| C28 | C31 | C30 | S | 0.2° | 0.4° |
| C31 | C28 | C29 | H16 | 179.6° | 179.8° |
| C29 | C28 | C31 | C30 | 0.4° | 0.4° |
| C28 | C29 | S | H16 | 180.0° | 180.0° |
| C28 | C29 | S | C30 | 0.2° | 0.0° |
| C29 | C28 | C31 | H17 | 179.6° | 179.7° |
| C31 | C30 | S | C29 | 0.0° | 0.3° |
| C31 | C30 | C32 | S | 179.5° | 179.6° |
| C31 | C30 | C32 | F3 | 26.8° | 30.3° |
| C31 | C30 | C32 | F5 | 92.5° | 89.7° |
| C31 | C30 | C32 | F4 | 145.7° | 150.3° |
| C10 | N | C | C1 | 75.4° | 115.7° |
| C10 | N | C | C5 | 102.8° | 64.2° |
| N | C10 | H7 | H8 | 119.7° | 120.1° |
| N | C10 | C11 | H9 | 178.4° | 65.9° |
| N | C10 | C11 | H10 | 61.1° | 173.7° |
| C10 | N | C34 | H32 | 169.8° | 176.9° |
| C10 | N | C34 | H33 | 71.5° | 56.9° |
| N | C | C1 | O | 7.1° | 0.3° |
| N | C | C1 | C5 | 178.3° | 179.9° |
| N | C | C1 | C2 | 175.9° | 180.0° |
| N | C | C5 | C4 | 177.4° | 180.0° |
| N | C | C5 | H4 | 2.6° | 0.0° |
| C | N | C10 | H7 | 66.5° | 67.3° |
| C | N | C10 | H8 | 53.3° | 52.8° |
| C | N | C34 | H32 | 59.6° | 52.8° |
| C | N | C34 | H33 | 59.1° | 67.2° |
| C7 | C8 | C9 | H36 | 120.5° | 120.0° |
| C7 | C8 | C9 | H37 | 120.5° | 120.0° |
| C8 | C7 | C6 | H34 | 120.7° | 119.9° |
| C8 | C7 | C6 | H35 | 120.7° | 120.0° |
| C8 | C7 | C6 | O | 52.1° | 180.0° |
| C7 | C8 | C9 | O2 | 100.4° | 0.0° |
| C7 | C8 | C9 | O1 | 80.7° | 180.0° |
| C8 | C7 | C6 | H5 | 68.1° | 60.1° |
| C8 | C7 | C6 | H6 | 172.3° | 60.0° |
| C8 | C7 | H34 | H35 | 117.8° | 119.9° |
| C7 | C8 | H36 | H37 | 118.5° | 119.9° |
| C9 | C8 | C7 | C6 | 68.6° | 180.0° |
| C8 | C9 | O2 | O1 | 179.0° | 180.0° |
| C9 | C8 | C7 | H34 | 52.1° | 60.0° |
| C9 | C8 | C7 | H35 | 170.7° | 60.0° |
| C9 | C8 | H36 | H37 | 118.5° | 120.1° |
| C8 | C9 | O1 | H38 | 178.9° | 180.0° |
| C7 | C6 | O | H5 | 120.2° | 119.9° |
| C7 | C6 | O | H6 | 120.1° | 120.0° |
| C7 | C6 | O | C1 | 173.5° | 180.0° |
| C7 | C6 | H5 | H6 | 119.5° | 120.0° |
| C6 | C7 | H34 | H35 | 117.7° | 120.1° |
| C6 | C7 | C8 | H36 | 51.9° | 60.0° |
| C6 | C7 | C8 | H37 | 170.9° | 60.0° |
| C29 | S | C30 | C32 | 179.5° | 179.9° |
| C6 | O | C1 | C | 178.9° | 179.7° |
| C6 | O | C1 | C2 | 4.3° | 0.0° |
| O | C6 | H5 | H6 | 119.5° | 120.0° |
| O | C6 | C7 | H34 | 172.8° | 60.1° |
| O | C6 | C7 | H35 | 68.6° | 60.0° |
| O | C1 | C | C2 | 177.0° | 179.7° |
| O | C1 | C | C5 | 174.6° | 179.8° |
| O | C1 | C2 | C3 | 174.6° | 179.7° |
| O | C1 | C2 | H1 | 5.4° | 0.3° |
| C1 | O | C6 | H5 | 53.3° | 60.0° |
| C1 | O | C6 | H6 | 66.3° | 60.1° |
| C1 | C | C5 | C4 | 0.8° | 0.1° |
| C | C1 | C2 | C3 | 2.2° | 0.0° |
| C | C1 | C2 | H1 | 177.9° | 180.0° |
| C1 | C | C5 | H4 | 179.2° | 179.9° |
| C5 | C | C1 | C2 | 2.4° | 0.0° |
| C | C5 | C4 | H4 | 180.0° | 180.0° |
| C | C5 | C4 | C3 | 1.1° | 0.1° |
| C | C5 | C4 | H3 | 178.9° | 180.0° |
| C30 | C32 | F3 | F5 | 123.7° | 120.0° |
| C30 | C32 | F3 | F4 | 125.0° | 119.9° |
| C30 | C32 | F5 | F4 | 126.1° | 120.0° |
| C32 | C30 | C31 | H17 | 0.7° | 0.0° |
| S | C30 | C32 | F3 | 152.7° | 150.1° |
| S | C30 | C32 | F5 | 88.0° | 89.9° |
| S | C30 | C32 | F4 | 33.8° | 30.1° |
| C30 | S | C29 | H16 | 179.8° | 180.0° |
| S | C30 | C31 | H17 | 179.7° | 179.7° |
| F3 | C32 | F5 | F4 | 108.8° | 120.0° |
| O2 | C9 | C8 | H36 | 139.1° | 120.0° |
| O2 | C9 | C8 | H37 | 20.1° | 120.0° |
| O2 | C9 | O1 | H38 | 0.0° | 0.0° |
| O1 | C9 | C8 | H36 | 39.8° | 60.0° |
| O1 | C9 | C8 | H37 | 158.8° | 60.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | H2 | 178.7° | 179.9° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 178.7° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H4 | 178.9° | 180.0° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H2 | C3 | C4 | H3 | 1.3° | 0.0° |
| H3 | C4 | C5 | H4 | 1.1° | 0.0° |
| H5 | C6 | C7 | H34 | 52.7° | 180.0° |
| H5 | C6 | C7 | H35 | 171.2° | 59.9° |
| H6 | C6 | C7 | H34 | 67.0° | 59.9° |
| H6 | C6 | C7 | H35 | 51.5° | 180.0° |
| H7 | C10 | C11 | H9 | 58.3° | 174.2° |
| H7 | C10 | C11 | H10 | 178.8° | 53.8° |
| H8 | C10 | C11 | H9 | 61.4° | 54.1° |
| H8 | C10 | C11 | H10 | 59.1° | 66.3° |
| H11 | C15 | C16 | H20 | 47.6° | 65.6° |
| H11 | C15 | C16 | H21 | 72.0° | 54.4° |
| H12 | C15 | C16 | H20 | 166.6° | 54.8° |
| H12 | C15 | C16 | H21 | 47.1° | 174.8° |
| H13 | C22 | C21 | H22 | 0.1° | 0.3° |
| H14 | C26 | C25 | H25 | 54.6° | 66.0° |
| H14 | C26 | C25 | H26 | 172.6° | 174.0° |
| H14 | C26 | C27 | H27 | 59.5° | 180.0° |
| H14 | C26 | C27 | H28 | 60.5° | 60.0° |
| H14 | C26 | C27 | H29 | 179.5° | 60.0° |
| H15 | C26 | C25 | H25 | 64.3° | 174.0° |
| H15 | C26 | C25 | H26 | 53.6° | 53.9° |
| H15 | C26 | C27 | H27 | 59.4° | 60.0° |
| H15 | C26 | C27 | H28 | 179.5° | 179.9° |
| H15 | C26 | C27 | H29 | 60.6° | 60.0° |
| H18 | C17 | C16 | H20 | 54.7° | 58.6° |
| H18 | C17 | C16 | H21 | 64.8° | 61.4° |
| H19 | C17 | C16 | H20 | 173.9° | 61.3° |
| H19 | C17 | C16 | H21 | 54.3° | 178.6° |
| H24 | C14 | C25 | H25 | 171.5° | 59.2° |
| H24 | C14 | C25 | H26 | 70.6° | 179.2° |
| H27 | C27 | H28 | H29 | 120.0° | 120.0° |
| H30 | C33 | C34 | H32 | 48.9° | 54.0° |
| H30 | C33 | C34 | H33 | 167.6° | 174.1° |
| H31 | C33 | C34 | H32 | 71.0° | 66.5° |
| H31 | C33 | C34 | H33 | 47.6° | 53.6° |
| H34 | C7 | C8 | H36 | 172.6° | 60.0° |
| H34 | C7 | C8 | H37 | 68.4° | 180.0° |
| H35 | C7 | C8 | H36 | 68.8° | 180.0° |
| H35 | C7 | C8 | H37 | 50.2° | 60.0° |
