R85
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | P | sing | 1.82Å | 1.80Å | |
| O1 | P | doub | 1.48Å | 1.49Å | |
| CL | C20 | sing | 1.74Å | 1.74Å | |
| P | C29 | sing | 1.82Å | 1.80Å | |
| P | C27 | sing | 1.81Å | 1.81Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C22 | sing | 1.40Å | 1.41Å | |
| N7 | C21 | sing | 1.39Å | 1.37Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C18 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C18 | sing | 1.32Å | 1.35Å | Aromatic |
| C18 | N4 | sing | 1.38Å | 1.37Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| N4 | C6 | sing | 1.40Å | 1.41Å | |
| C1 | N | sing | 1.35Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C4 | sing | 1.48Å | 1.48Å | |
| C2 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| N1 | C3 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | O | sing | 1.36Å | 1.37Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| O | C17 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C14 | sing | 1.47Å | 1.47Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | N3 | sing | 1.47Å | 1.54Å | |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| N3 | C15 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C5 | H32 | sing | 1.08Å | 1.08Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C | H37 | sing | 1.09Å | 1.10Å | |
| C | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | P | O1 | 114.7° | 109.5° |
| C28 | P | C29 | 106.1° | 109.5° |
| C28 | P | C27 | 108.4° | 109.5° |
| P | C28 | H22 | 109.5° | 109.4° |
| P | C28 | H23 | 109.5° | 109.5° |
| P | C28 | H24 | 109.4° | 109.5° |
| O1 | P | C29 | 110.5° | 109.5° |
| O1 | P | C27 | 110.0° | 109.4° |
| CL | C20 | C19 | 119.9° | 120.7° |
| CL | C20 | C21 | 122.2° | 120.8° |
| C29 | P | C27 | 106.7° | 109.5° |
| P | C29 | H25 | 109.5° | 109.5° |
| P | C29 | H26 | 109.5° | 109.4° |
| P | C29 | H27 | 109.5° | 109.5° |
| P | C27 | C26 | 115.5° | 120.1° |
| P | C27 | C22 | 125.6° | 120.1° |
| C26 | C27 | C22 | 118.8° | 119.9° |
| C27 | C26 | C25 | 120.9° | 120.1° |
| C27 | C26 | H28 | 119.6° | 119.9° |
| C27 | C22 | N7 | 119.5° | 120.0° |
| C27 | C22 | C23 | 119.0° | 119.9° |
| C19 | C20 | C21 | 117.8° | 118.5° |
| C20 | C19 | N5 | 122.7° | 119.2° |
| C20 | C19 | H19 | 118.6° | 120.4° |
| C20 | C21 | N7 | 120.3° | 120.5° |
| C20 | C21 | N6 | 120.2° | 119.0° |
| C22 | N7 | C21 | 131.7° | 120.0° |
| N7 | C22 | C23 | 121.4° | 120.1° |
| C22 | N7 | H21 | 114.2° | 120.0° |
| N7 | C21 | N6 | 119.5° | 120.5° |
| C21 | N7 | H21 | 114.2° | 120.0° |
| C26 | C25 | C24 | 120.1° | 120.2° |
| C25 | C26 | H28 | 119.6° | 120.0° |
| C26 | C25 | H29 | 119.9° | 119.9° |
| C22 | C23 | C24 | 120.8° | 119.9° |
| C22 | C23 | H30 | 119.6° | 120.0° |
| C19 | N5 | C18 | 115.5° | 121.0° |
| N5 | C19 | H19 | 118.7° | 120.4° |
| C21 | N6 | C18 | 117.4° | 120.6° |
| C25 | C24 | C23 | 120.3° | 120.1° |
| C25 | C24 | H20 | 119.8° | 120.0° |
| C24 | C25 | H29 | 119.9° | 119.9° |
| C23 | C24 | H20 | 119.9° | 120.0° |
| C24 | C23 | H30 | 119.6° | 120.1° |
| N5 | C18 | N6 | 126.2° | 121.7° |
| N5 | C18 | N4 | 117.3° | 119.2° |
| N6 | C18 | N4 | 116.4° | 119.1° |
| C18 | N4 | C6 | 130.8° | 120.0° |
| C18 | N4 | H31 | 114.6° | 120.0° |
| C | N | C1 | 127.8° | 125.9° |
| C | N | N1 | 119.2° | 125.9° |
| N | C | H37 | 109.5° | 109.4° |
| N | C | H38 | 109.5° | 109.5° |
| N | C | H39 | 109.4° | 109.5° |
| N4 | C6 | C5 | 122.3° | 120.0° |
| N4 | C6 | C7 | 118.7° | 120.0° |
| C6 | N4 | H31 | 114.6° | 120.0° |
| N | C1 | C2 | 106.8° | 107.6° |
| C1 | N | N1 | 112.9° | 108.2° |
| N | C1 | H1 | 126.6° | 126.3° |
| C1 | C2 | C4 | 126.7° | 126.2° |
| C1 | C2 | C3 | 104.1° | 107.6° |
| C2 | C1 | H1 | 126.6° | 126.2° |
| N | N1 | C3 | 103.9° | 108.5° |
| C6 | C5 | C4 | 121.3° | 120.0° |
| C5 | C6 | C7 | 119.0° | 120.1° |
| C6 | C5 | H32 | 119.4° | 120.0° |
| C5 | C4 | C2 | 116.3° | 120.1° |
| C5 | C4 | C9 | 118.8° | 119.8° |
| C4 | C5 | H32 | 119.3° | 120.0° |
| C6 | C7 | O | 114.8° | 120.0° |
| C6 | C7 | C8 | 120.5° | 120.1° |
| C4 | C2 | C3 | 129.2° | 126.2° |
| C2 | C4 | C9 | 125.0° | 120.1° |
| C2 | C3 | N1 | 112.2° | 108.1° |
| C2 | C3 | H2 | 123.9° | 126.0° |
| N1 | C3 | H2 | 123.9° | 125.9° |
| C4 | C9 | C8 | 120.3° | 119.9° |
| C4 | C9 | N2 | 117.0° | 120.0° |
| O | C7 | C8 | 124.7° | 119.9° |
| C7 | O | C17 | 118.1° | 117.0° |
| C7 | C8 | C9 | 120.0° | 120.1° |
| C7 | C8 | H3 | 120.0° | 120.0° |
| O | C17 | H33 | 109.5° | 109.5° |
| O | C17 | H34 | 109.5° | 109.5° |
| O | C17 | H35 | 109.5° | 109.5° |
| C8 | C9 | N2 | 121.6° | 120.0° |
| C9 | C8 | H3 | 120.0° | 119.9° |
| C9 | N2 | C14 | 118.2° | 111.0° |
| C9 | N2 | C10 | 115.1° | 111.0° |
| C14 | N2 | C10 | 114.9° | 111.2° |
| N2 | C14 | C13 | 111.9° | 109.6° |
| N2 | C14 | H11 | 108.9° | 109.5° |
| N2 | C14 | H12 | 108.9° | 109.5° |
| N2 | C10 | C11 | 112.0° | 109.5° |
| N2 | C10 | H4 | 108.8° | 109.5° |
| N2 | C10 | H5 | 108.8° | 109.4° |
| C14 | C13 | C12 | 111.1° | 109.2° |
| C14 | C13 | H9 | 109.1° | 109.5° |
| C14 | C13 | H10 | 109.1° | 109.5° |
| C13 | C14 | H11 | 108.8° | 109.4° |
| C13 | C14 | H12 | 108.8° | 109.4° |
| C10 | C11 | C12 | 110.5° | 109.2° |
| C11 | C10 | H4 | 108.8° | 109.5° |
| C11 | C10 | H5 | 108.8° | 109.5° |
| C10 | C11 | H6 | 109.2° | 109.5° |
| C10 | C11 | H7 | 109.2° | 109.5° |
| C13 | C12 | C11 | 112.3° | 109.2° |
| C13 | C12 | N3 | 115.4° | 109.5° |
| C13 | C12 | H8 | 103.0° | 109.5° |
| C12 | C13 | H9 | 109.1° | 109.5° |
| C12 | C13 | H10 | 109.1° | 109.5° |
| C11 | C12 | N3 | 117.6° | 109.6° |
| C12 | C11 | H6 | 109.2° | 109.5° |
| C12 | C11 | H7 | 109.2° | 109.5° |
| C11 | C12 | H8 | 103.1° | 109.5° |
| C12 | N3 | C16 | 122.1° | 111.0° |
| C12 | N3 | C15 | 111.6° | 111.0° |
| N3 | C12 | H8 | 103.0° | 109.5° |
| C16 | N3 | C15 | 110.8° | 111.0° |
| N3 | C16 | H16 | 109.5° | 109.4° |
| N3 | C16 | H17 | 109.4° | 109.5° |
| N3 | C16 | H18 | 109.5° | 109.5° |
| N3 | C15 | H13 | 109.5° | 109.5° |
| N3 | C15 | H14 | 109.5° | 109.4° |
| N3 | C15 | H15 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.4° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.6° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.4° |
| H22 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.4° | 109.4° |
| H25 | C29 | H27 | 109.4° | 109.5° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H33 | C17 | H34 | 109.5° | 109.5° |
| H33 | C17 | H35 | 109.4° | 109.4° |
| H34 | C17 | H35 | 109.5° | 109.5° |
| H37 | C | H38 | 109.5° | 109.5° |
| H37 | C | H39 | 109.5° | 109.5° |
| H38 | C | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | P | O1 | C29 | 119.9° | 120.0° |
| C28 | P | O1 | C27 | 122.5° | 120.0° |
| C28 | P | C29 | C27 | 115.5° | 120.0° |
| C28 | P | C27 | C26 | 35.0° | 105.0° |
| C28 | P | C27 | C22 | 148.4° | 75.0° |
| P | C28 | H22 | H23 | 120.0° | 119.9° |
| P | C28 | H22 | H24 | 120.0° | 120.0° |
| P | C28 | H23 | H24 | 120.0° | 120.0° |
| C28 | P | C29 | H25 | 180.0° | 180.0° |
| C28 | P | C29 | H26 | 60.0° | 60.0° |
| C28 | P | C29 | H27 | 60.0° | 60.0° |
| O1 | P | C29 | C27 | 119.6° | 119.9° |
| O1 | P | C27 | C26 | 161.1° | 135.0° |
| O1 | P | C27 | C22 | 22.3° | 45.0° |
| O1 | P | C28 | H22 | 180.0° | 60.0° |
| O1 | P | C28 | H23 | 60.0° | 59.9° |
| O1 | P | C28 | H24 | 60.0° | 180.0° |
| O1 | P | C29 | H25 | 55.1° | 60.0° |
| O1 | P | C29 | H26 | 64.9° | 60.0° |
| O1 | P | C29 | H27 | 175.1° | 180.0° |
| CL | C20 | C19 | C21 | 176.5° | 180.0° |
| CL | C20 | C21 | N7 | 2.9° | 0.0° |
| CL | C20 | C19 | N5 | 179.2° | 180.0° |
| CL | C20 | C21 | N6 | 179.4° | 180.0° |
| CL | C20 | C19 | H19 | 0.8° | 0.0° |
| C29 | P | C27 | C26 | 79.0° | 15.0° |
| C29 | P | C27 | C22 | 97.6° | 165.0° |
| C29 | P | C28 | H22 | 57.7° | 60.0° |
| C29 | P | C28 | H23 | 62.3° | 180.0° |
| C29 | P | C28 | H24 | 177.7° | 60.0° |
| P | C29 | H25 | H26 | 120.0° | 120.0° |
| P | C29 | H25 | H27 | 120.0° | 120.0° |
| P | C29 | H26 | H27 | 120.0° | 120.0° |
| P | C27 | C26 | C22 | 176.9° | 180.0° |
| P | C27 | C22 | N7 | 3.8° | 0.3° |
| P | C27 | C26 | C25 | 178.4° | 180.0° |
| P | C27 | C22 | C23 | 178.6° | 180.0° |
| C27 | P | C28 | H22 | 56.6° | 180.0° |
| C27 | P | C28 | H23 | 176.7° | 60.0° |
| C27 | P | C28 | H24 | 63.4° | 60.0° |
| C27 | P | C29 | H25 | 64.6° | 60.0° |
| C27 | P | C29 | H26 | 175.5° | 179.9° |
| C27 | P | C29 | H27 | 55.4° | 60.0° |
| P | C27 | C26 | H28 | 1.6° | 0.0° |
| C26 | C27 | C22 | N7 | 179.6° | 179.7° |
| C27 | C26 | C25 | H28 | 180.0° | 180.0° |
| C26 | C27 | C22 | C23 | 2.1° | 0.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C27 | C26 | C25 | H29 | 179.7° | 180.0° |
| C27 | C22 | N7 | C23 | 177.5° | 179.8° |
| C27 | C22 | N7 | C21 | 150.0° | 155.1° |
| C22 | C27 | C26 | C25 | 1.6° | 0.0° |
| C27 | C22 | C23 | C24 | 1.3° | 0.0° |
| C27 | C22 | N7 | H21 | 30.0° | 24.9° |
| C22 | C27 | C26 | H28 | 178.5° | 180.0° |
| C27 | C22 | C23 | H30 | 178.7° | 180.0° |
| C19 | C20 | C21 | N7 | 179.3° | 179.9° |
| C20 | C19 | N5 | H19 | 180.0° | 179.9° |
| C19 | C20 | C21 | N6 | 3.0° | 0.0° |
| C20 | C19 | N5 | C18 | 0.8° | 0.1° |
| C20 | C21 | N7 | C22 | 171.2° | 173.9° |
| C20 | C21 | N7 | N6 | 177.7° | 180.0° |
| C21 | C20 | C19 | N5 | 2.7° | 0.1° |
| C20 | C21 | N6 | C18 | 1.4° | 0.0° |
| C21 | C20 | C19 | H19 | 177.3° | 180.0° |
| C20 | C21 | N7 | H21 | 8.9° | 6.1° |
| C22 | N7 | C21 | H21 | 180.0° | 179.9° |
| C22 | N7 | C21 | N6 | 6.6° | 6.0° |
| N7 | C22 | C23 | C24 | 178.9° | 179.7° |
| N7 | C22 | C23 | H30 | 1.1° | 0.3° |
| C21 | N7 | C22 | C23 | 32.5° | 24.7° |
| N7 | C21 | N6 | C18 | 179.2° | 180.0° |
| C26 | C25 | C24 | H29 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.5° | 0.0° |
| C26 | C25 | C24 | H20 | 179.5° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H30 | 180.0° | 180.0° |
| C22 | C23 | C24 | H20 | 180.0° | 180.0° |
| C23 | C22 | N7 | H21 | 147.5° | 155.4° |
| C19 | N5 | C18 | N6 | 1.0° | 0.1° |
| C19 | N5 | C18 | N4 | 178.2° | 180.0° |
| C21 | N6 | C18 | N5 | 0.6° | 0.0° |
| C21 | N6 | C18 | N4 | 177.9° | 180.0° |
| N6 | C21 | N7 | H21 | 173.4° | 173.9° |
| C25 | C24 | C23 | H20 | 180.0° | 180.0° |
| C24 | C25 | C26 | H28 | 179.7° | 180.0° |
| C25 | C24 | C23 | H30 | 180.0° | 180.0° |
| C23 | C24 | C25 | H29 | 179.5° | 180.0° |
| N5 | C18 | N6 | N4 | 177.2° | 180.0° |
| N5 | C18 | N4 | C6 | 179.8° | 4.4° |
| C18 | N5 | C19 | H19 | 179.2° | 180.0° |
| N5 | C18 | N4 | H31 | 0.2° | 175.6° |
| N6 | C18 | N4 | C6 | 2.3° | 175.6° |
| N6 | C18 | N4 | H31 | 177.6° | 4.4° |
| C18 | N4 | C6 | H31 | 180.0° | 180.0° |
| C18 | N4 | C6 | C5 | 29.0° | 34.8° |
| C18 | N4 | C6 | C7 | 151.0° | 145.1° |
| C | N | C1 | N1 | 176.3° | 179.9° |
| C | N | C1 | C2 | 177.3° | 180.0° |
| C | N | N1 | C3 | 178.5° | 179.9° |
| C | N | C1 | H1 | 2.7° | 0.1° |
| N | C | H37 | H38 | 120.0° | 120.0° |
| N | C | H37 | H39 | 120.0° | 120.0° |
| N | C | H38 | H39 | 120.0° | 120.0° |
| N4 | C6 | C5 | C7 | 179.9° | 179.9° |
| N4 | C6 | C5 | C4 | 179.1° | 180.0° |
| N4 | C6 | C7 | O | 0.9° | 0.0° |
| N4 | C6 | C7 | C8 | 179.8° | 179.8° |
| N4 | C6 | C5 | H32 | 0.9° | 0.1° |
| N | C1 | C2 | H1 | 180.0° | 179.8° |
| N | C1 | C2 | C4 | 178.3° | 179.9° |
| N | C1 | C2 | C3 | 0.2° | 0.1° |
| C1 | N | N1 | C3 | 1.9° | 0.0° |
| C1 | N | C | H37 | 176.1° | 90.0° |
| C1 | N | C | H38 | 56.1° | 150.0° |
| C1 | N | C | H39 | 63.9° | 29.9° |
| C2 | C1 | N | N1 | 1.1° | 0.0° |
| C1 | C2 | C4 | C5 | 0.1° | 50.0° |
| C1 | C2 | C4 | C3 | 177.6° | 180.0° |
| C1 | C2 | C3 | N1 | 1.4° | 0.0° |
| C1 | C2 | C4 | C9 | 180.0° | 129.7° |
| C1 | C2 | C3 | H2 | 178.6° | 180.0° |
| N | N1 | C3 | C2 | 2.0° | 0.0° |
| N1 | N | C1 | H1 | 178.9° | 179.8° |
| N | N1 | C3 | H2 | 178.0° | 180.0° |
| N1 | N | C | H37 | 0.0° | 90.1° |
| N1 | N | C | H38 | 120.0° | 29.9° |
| N1 | N | C | H39 | 120.0° | 150.0° |
| C6 | C5 | C4 | H32 | 180.0° | 179.9° |
| C6 | C5 | C4 | C2 | 179.5° | 180.0° |
| C6 | C5 | C4 | C9 | 0.6° | 0.2° |
| C5 | C6 | C7 | O | 179.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.3° |
| C5 | C6 | N4 | H31 | 150.9° | 145.2° |
| C4 | C5 | C6 | C7 | 1.0° | 0.1° |
| C5 | C4 | C2 | C9 | 179.9° | 179.8° |
| C5 | C4 | C2 | C3 | 177.5° | 129.9° |
| C5 | C4 | C9 | C8 | 3.0° | 0.3° |
| C5 | C4 | C9 | N2 | 171.6° | 179.8° |
| C6 | C7 | O | C8 | 179.3° | 179.8° |
| C6 | C7 | O | C17 | 179.6° | 179.7° |
| C6 | C7 | C8 | C9 | 2.0° | 0.2° |
| C6 | C7 | C8 | H3 | 178.0° | 179.8° |
| C7 | C6 | N4 | H31 | 29.0° | 34.9° |
| C7 | C6 | C5 | H32 | 179.0° | 180.0° |
| C4 | C2 | C3 | N1 | 179.4° | 180.0° |
| C2 | C4 | C9 | C8 | 177.2° | 180.0° |
| C2 | C4 | C9 | N2 | 8.5° | 0.0° |
| C4 | C2 | C1 | H1 | 1.7° | 0.2° |
| C4 | C2 | C3 | H2 | 0.5° | 0.0° |
| C2 | C4 | C5 | H32 | 0.5° | 0.0° |
| C2 | C3 | N1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C4 | C9 | 2.4° | 50.3° |
| C3 | C2 | C1 | H1 | 179.8° | 179.8° |
| C4 | C9 | C8 | C7 | 3.7° | 0.0° |
| C4 | C9 | C8 | N2 | 168.1° | 180.0° |
| C4 | C9 | N2 | C14 | 126.1° | 120.0° |
| C4 | C9 | N2 | C10 | 92.8° | 115.8° |
| C4 | C9 | C8 | H3 | 176.3° | 180.0° |
| C9 | C4 | C5 | H32 | 179.4° | 179.7° |
| O | C7 | C8 | C9 | 178.8° | 180.0° |
| O | C7 | C8 | H3 | 1.3° | 0.0° |
| C7 | O | C17 | H33 | 180.0° | 60.0° |
| C7 | O | C17 | H34 | 60.0° | 60.0° |
| C7 | O | C17 | H35 | 60.0° | 179.9° |
| C8 | C7 | O | C17 | 0.4° | 0.1° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | N2 | 171.8° | 180.0° |
| O | C17 | H33 | H34 | 120.0° | 120.0° |
| O | C17 | H33 | H35 | 120.0° | 120.0° |
| O | C17 | H34 | H35 | 120.0° | 120.0° |
| C8 | C9 | N2 | C14 | 65.5° | 59.9° |
| C8 | C9 | N2 | C10 | 75.6° | 64.3° |
| C9 | N2 | C14 | C10 | 141.2° | 124.1° |
| C9 | N2 | C14 | C13 | 170.9° | 174.2° |
| C9 | N2 | C10 | C11 | 133.9° | 174.1° |
| N2 | C9 | C8 | H3 | 8.2° | 0.0° |
| C9 | N2 | C10 | H4 | 13.5° | 54.1° |
| C9 | N2 | C10 | H5 | 105.7° | 65.9° |
| C9 | N2 | C14 | H11 | 50.6° | 65.8° |
| C9 | N2 | C14 | H12 | 68.7° | 54.2° |
| N2 | C14 | C13 | H11 | 120.4° | 120.1° |
| N2 | C14 | C13 | H12 | 120.4° | 120.1° |
| C14 | N2 | C10 | C11 | 8.5° | 61.7° |
| N2 | C14 | C13 | C12 | 55.6° | 59.2° |
| C14 | N2 | C10 | H4 | 128.9° | 178.2° |
| C14 | N2 | C10 | H5 | 111.9° | 58.3° |
| N2 | C14 | C13 | H9 | 64.7° | 179.1° |
| N2 | C14 | C13 | H10 | 175.9° | 60.8° |
| N2 | C14 | H11 | H12 | 118.9° | 120.0° |
| C10 | N2 | C14 | C13 | 47.9° | 61.7° |
| N2 | C10 | C11 | H4 | 120.4° | 120.1° |
| N2 | C10 | C11 | H5 | 120.4° | 120.0° |
| N2 | C10 | C11 | C12 | 57.2° | 59.1° |
| N2 | C10 | H4 | H5 | 118.8° | 119.9° |
| N2 | C10 | C11 | H6 | 63.0° | 179.1° |
| N2 | C10 | C11 | H7 | 177.3° | 60.7° |
| C10 | N2 | C14 | H11 | 168.3° | 58.3° |
| C10 | N2 | C14 | H12 | 72.5° | 178.3° |
| C14 | C13 | C12 | H9 | 120.3° | 120.0° |
| C14 | C13 | C12 | H10 | 120.2° | 119.9° |
| C14 | C13 | C12 | C11 | 6.7° | 57.7° |
| C14 | C13 | C12 | N3 | 131.7° | 62.3° |
| C14 | C13 | C12 | H8 | 116.9° | 177.6° |
| C14 | C13 | H9 | H10 | 119.2° | 120.1° |
| C13 | C14 | H11 | H12 | 118.9° | 119.9° |
| C10 | C11 | C12 | C13 | 47.6° | 57.7° |
| C10 | C11 | C12 | H6 | 120.2° | 119.9° |
| C10 | C11 | C12 | H7 | 120.2° | 119.9° |
| C10 | C11 | C12 | N3 | 175.0° | 62.3° |
| C11 | C10 | H4 | H5 | 118.8° | 120.0° |
| C10 | C11 | H6 | H7 | 119.5° | 120.1° |
| C10 | C11 | C12 | H8 | 62.6° | 177.6° |
| C13 | C12 | C11 | N3 | 137.4° | 119.9° |
| C13 | C12 | C11 | H8 | 110.2° | 120.0° |
| C13 | C12 | N3 | H8 | 111.4° | 120.1° |
| C13 | C12 | N3 | C16 | 82.8° | 60.3° |
| C13 | C12 | N3 | C15 | 142.9° | 175.7° |
| C13 | C12 | C11 | H6 | 72.6° | 177.6° |
| C13 | C12 | C11 | H7 | 167.8° | 62.2° |
| C12 | C13 | H9 | H10 | 119.3° | 120.1° |
| C12 | C13 | C14 | H11 | 176.0° | 60.9° |
| C12 | C13 | C14 | H12 | 64.7° | 179.2° |
| C11 | C12 | N3 | H8 | 112.4° | 120.1° |
| C11 | C12 | N3 | C16 | 53.4° | 180.0° |
| C11 | C12 | N3 | C15 | 81.0° | 56.0° |
| C12 | C11 | C10 | H4 | 177.6° | 179.2° |
| C12 | C11 | C10 | H5 | 63.3° | 60.8° |
| C12 | C11 | H6 | H7 | 119.5° | 120.1° |
| C11 | C12 | C13 | H9 | 113.5° | 177.6° |
| C11 | C12 | C13 | H10 | 127.0° | 62.3° |
| C12 | N3 | C16 | C15 | 134.7° | 124.0° |
| N3 | C12 | C11 | H6 | 64.8° | 57.6° |
| N3 | C12 | C11 | H7 | 54.8° | 177.9° |
| N3 | C12 | C13 | H9 | 108.1° | 57.7° |
| N3 | C12 | C13 | H10 | 11.4° | 177.8° |
| C12 | N3 | C15 | H13 | 180.0° | 60.0° |
| C12 | N3 | C15 | H14 | 60.0° | 180.0° |
| C12 | N3 | C15 | H15 | 60.0° | 60.0° |
| C12 | N3 | C16 | H16 | 180.0° | 60.0° |
| C12 | N3 | C16 | H17 | 60.0° | 180.0° |
| C12 | N3 | C16 | H18 | 60.0° | 60.0° |
| C16 | N3 | C12 | H8 | 165.8° | 59.8° |
| C16 | N3 | C15 | H13 | 40.4° | 64.0° |
| C16 | N3 | C15 | H14 | 79.6° | 56.1° |
| C16 | N3 | C15 | H15 | 160.4° | 176.0° |
| N3 | C16 | H16 | H17 | 120.0° | 120.0° |
| N3 | C16 | H16 | H18 | 120.0° | 120.0° |
| N3 | C16 | H17 | H18 | 120.0° | 120.0° |
| C15 | N3 | C12 | H8 | 31.5° | 64.1° |
| N3 | C15 | H13 | H14 | 120.0° | 120.0° |
| N3 | C15 | H13 | H15 | 120.0° | 120.0° |
| N3 | C15 | H14 | H15 | 120.0° | 119.9° |
| C15 | N3 | C16 | H16 | 45.3° | 176.1° |
| C15 | N3 | C16 | H17 | 165.3° | 56.1° |
| C15 | N3 | C16 | H18 | 74.7° | 64.0° |
| H4 | C10 | C11 | H6 | 57.4° | 60.9° |
| H4 | C10 | C11 | H7 | 62.3° | 59.3° |
| H5 | C10 | C11 | H6 | 176.6° | 59.1° |
| H5 | C10 | C11 | H7 | 56.9° | 179.3° |
| H6 | C11 | C12 | H8 | 177.2° | 62.5° |
| H7 | C11 | C12 | H8 | 57.6° | 57.7° |
| H8 | C12 | C13 | H9 | 3.3° | 62.4° |
| H8 | C12 | C13 | H10 | 122.8° | 57.7° |
| H9 | C13 | C14 | H11 | 55.7° | 59.0° |
| H9 | C13 | C14 | H12 | 175.0° | 60.8° |
| H10 | C13 | C14 | H11 | 63.7° | 179.2° |
| H10 | C13 | C14 | H12 | 55.5° | 59.3° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
| H16 | C16 | H17 | H18 | 120.0° | 120.0° |
| H20 | C24 | C25 | H29 | 0.5° | 0.0° |
| H20 | C24 | C23 | H30 | 0.0° | 0.0° |
| H22 | C28 | H23 | H24 | 120.0° | 120.0° |
| H25 | C29 | H26 | H27 | 120.0° | 120.0° |
| H28 | C26 | C25 | H29 | 0.2° | 0.0° |
| H33 | C17 | H34 | H35 | 120.0° | 120.0° |
| H37 | C | H38 | H39 | 120.0° | 120.0° |
