K9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C24 | N4 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| O3 | C8 | doub | 1.22Å | 1.22Å | |
| O2 | C11 | doub | 1.21Å | 1.23Å | |
| N4 | C23 | sing | 1.38Å | 1.43Å | |
| N4 | C32 | sing | 1.47Å | 1.47Å | |
| C23 | C5 | doub | 1.41Å | 1.44Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.48Å | |
| C7 | C6 | doub | 1.42Å | 1.42Å | Aromatic |
| C8 | N | sing | 1.35Å | 1.40Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | N1 | sing | 1.35Å | 1.33Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C1 | sing | 1.41Å | 1.42Å | Aromatic |
| N | C9 | sing | 1.47Å | 1.47Å | |
| N | C | sing | 1.35Å | 1.39Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C | C1 | sing | 1.47Å | 1.47Å | |
| C | O | doub | 1.22Å | 1.20Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C19 | sing | 1.54Å | 1.54Å | |
| C16 | S | sing | 1.84Å | 1.82Å | |
| N3 | C19 | sing | 1.47Å | 1.45Å | |
| N3 | C20 | sing | 1.34Å | 1.34Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| S | C17 | sing | 1.84Å | 1.80Å | |
| C20 | O1 | doub | 1.22Å | 1.23Å | |
| C20 | N2 | sing | 1.34Å | 1.35Å | |
| C18 | C17 | sing | 1.54Å | 1.54Å | |
| C18 | N2 | sing | 1.47Å | 1.45Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 120.1° | 119.8° |
| C27 | C28 | C29 | 120.1° | 119.8° |
| C27 | C28 | H29 | 120.0° | 120.1° |
| C28 | C27 | H28 | 120.0° | 120.1° |
| C27 | C26 | C25 | 120.8° | 120.4° |
| C26 | C27 | H28 | 120.0° | 120.1° |
| C27 | C26 | H27 | 119.6° | 119.8° |
| C28 | C29 | C30 | 120.8° | 120.3° |
| C28 | C29 | H30 | 119.6° | 119.8° |
| C29 | C28 | H29 | 119.9° | 120.0° |
| C26 | C25 | C30 | 119.2° | 119.7° |
| C26 | C25 | C24 | 119.4° | 118.4° |
| C25 | C26 | H27 | 119.6° | 119.8° |
| C29 | C30 | C25 | 119.0° | 119.9° |
| C29 | C30 | C31 | 119.4° | 118.5° |
| C30 | C29 | H30 | 119.6° | 119.9° |
| C30 | C25 | C24 | 121.4° | 121.8° |
| C25 | C30 | C31 | 121.5° | 121.7° |
| C25 | C24 | N4 | 111.9° | 110.5° |
| C25 | C24 | H25 | 108.8° | 109.3° |
| C25 | C24 | H26 | 108.9° | 109.3° |
| C30 | C31 | C32 | 112.9° | 110.0° |
| C30 | C31 | H32 | 108.6° | 109.3° |
| C30 | C31 | H31 | 108.6° | 109.4° |
| C24 | N4 | C23 | 118.3° | 111.0° |
| C24 | N4 | C32 | 116.9° | 110.2° |
| N4 | C24 | H25 | 108.9° | 109.4° |
| N4 | C24 | H26 | 108.8° | 109.2° |
| C21 | C22 | C23 | 121.4° | 121.4° |
| C22 | C21 | C7 | 120.7° | 120.4° |
| C22 | C21 | H23 | 119.7° | 119.8° |
| C21 | C22 | H24 | 119.3° | 119.3° |
| C22 | C23 | N4 | 121.3° | 120.2° |
| C22 | C23 | C5 | 119.3° | 119.7° |
| C23 | C22 | H24 | 119.3° | 119.3° |
| C21 | C7 | C8 | 119.8° | 122.0° |
| C21 | C7 | C6 | 120.2° | 119.3° |
| C7 | C21 | H23 | 119.6° | 119.8° |
| O3 | C8 | C7 | 122.6° | 119.8° |
| O3 | C8 | N | 120.4° | 119.7° |
| O2 | C11 | N1 | 123.3° | 120.0° |
| O2 | C11 | C12 | 120.8° | 120.0° |
| C23 | N4 | C32 | 122.7° | 111.0° |
| N4 | C23 | C5 | 119.4° | 120.1° |
| N4 | C32 | C31 | 110.6° | 108.5° |
| N4 | C32 | H34 | 109.2° | 109.6° |
| N4 | C32 | H33 | 109.2° | 109.6° |
| C23 | C5 | C6 | 118.6° | 119.0° |
| C23 | C5 | C4 | 124.0° | 122.0° |
| C8 | C7 | C6 | 120.0° | 118.7° |
| C7 | C8 | N | 117.0° | 120.5° |
| C7 | C6 | C5 | 119.7° | 120.3° |
| C7 | C6 | C1 | 120.5° | 119.3° |
| C8 | N | C9 | 118.1° | 118.8° |
| C8 | N | C | 125.1° | 122.4° |
| C31 | C32 | H34 | 109.2° | 109.6° |
| C31 | C32 | H33 | 109.2° | 109.8° |
| C32 | C31 | H32 | 108.6° | 109.4° |
| C32 | C31 | H31 | 108.6° | 109.4° |
| N1 | C10 | C9 | 110.0° | 109.5° |
| C10 | N1 | C11 | 123.6° | 120.0° |
| C10 | N1 | H10 | 118.2° | 120.0° |
| N1 | C10 | H9 | 109.3° | 109.4° |
| N1 | C10 | H8 | 109.3° | 109.4° |
| C10 | C9 | N | 116.9° | 109.5° |
| C10 | C9 | H7 | 107.6° | 109.4° |
| C10 | C9 | H6 | 107.6° | 109.5° |
| C9 | C10 | H9 | 109.3° | 109.5° |
| C9 | C10 | H8 | 109.3° | 109.5° |
| N1 | C11 | C12 | 115.9° | 120.0° |
| C11 | N1 | H10 | 118.2° | 120.0° |
| C11 | C12 | C13 | 111.9° | 109.5° |
| C11 | C12 | H11 | 108.8° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C6 | C5 | C4 | 117.4° | 119.1° |
| C5 | C6 | C1 | 119.8° | 120.3° |
| C5 | C4 | C3 | 121.3° | 120.0° |
| C5 | C4 | H5 | 119.3° | 120.1° |
| C6 | C1 | C | 120.2° | 118.8° |
| C6 | C1 | C2 | 120.4° | 119.1° |
| C9 | N | C | 116.5° | 118.8° |
| N | C9 | H7 | 107.6° | 109.5° |
| N | C9 | H6 | 107.6° | 109.5° |
| N | C | C1 | 117.2° | 120.3° |
| N | C | O | 119.8° | 119.9° |
| C12 | C13 | C14 | 113.0° | 109.5° |
| C13 | C12 | H11 | 108.8° | 109.4° |
| C13 | C12 | H12 | 108.8° | 109.4° |
| C12 | C13 | H13 | 108.6° | 109.5° |
| C12 | C13 | H14 | 108.6° | 109.5° |
| C4 | C3 | C2 | 121.2° | 121.3° |
| C3 | C4 | H5 | 119.3° | 119.9° |
| C4 | C3 | H4 | 119.4° | 119.3° |
| C1 | C | O | 123.0° | 119.9° |
| C | C1 | C2 | 119.4° | 122.1° |
| C1 | C2 | C3 | 119.7° | 120.2° |
| C1 | C2 | H3 | 120.1° | 119.9° |
| C13 | C14 | C15 | 112.1° | 109.4° |
| C14 | C13 | H13 | 108.6° | 109.5° |
| C14 | C13 | H14 | 108.6° | 109.5° |
| C13 | C14 | H15 | 108.8° | 109.5° |
| C13 | C14 | H16 | 108.8° | 109.4° |
| C2 | C3 | H4 | 119.4° | 119.3° |
| C3 | C2 | H3 | 120.1° | 119.9° |
| C14 | C15 | C16 | 118.1° | 109.4° |
| C15 | C14 | H15 | 108.8° | 109.5° |
| C15 | C14 | H16 | 108.8° | 109.5° |
| C14 | C15 | H17 | 107.3° | 109.5° |
| C14 | C15 | H18 | 107.3° | 109.5° |
| C15 | C16 | C19 | 115.1° | 110.7° |
| C15 | C16 | S | 113.5° | 110.7° |
| C16 | C15 | H17 | 107.3° | 109.5° |
| C16 | C15 | H18 | 107.3° | 109.5° |
| C15 | C16 | H | 109.6° | 110.7° |
| C19 | C16 | S | 102.6° | 102.7° |
| C16 | C19 | N3 | 116.9° | 109.1° |
| C16 | C19 | C18 | 108.1° | 112.4° |
| C19 | C16 | H | 109.3° | 110.8° |
| C16 | C19 | H2 | 109.4° | 110.4° |
| C16 | S | C17 | 88.4° | 94.8° |
| S | C16 | H | 106.2° | 111.0° |
| C19 | N3 | C20 | 113.4° | 109.0° |
| N3 | C19 | C18 | 102.4° | 104.0° |
| C19 | N3 | H22 | 123.3° | 125.5° |
| N3 | C19 | H2 | 110.6° | 110.2° |
| N3 | C20 | O1 | 125.4° | 123.1° |
| N3 | C20 | N2 | 108.8° | 113.9° |
| C20 | N3 | H22 | 123.3° | 125.5° |
| C19 | C18 | C17 | 108.2° | 112.4° |
| C19 | C18 | N2 | 102.5° | 104.0° |
| C18 | C19 | H2 | 109.0° | 110.6° |
| C19 | C18 | H1 | 110.0° | 110.3° |
| S | C17 | C18 | 104.2° | 102.7° |
| S | C17 | H19 | 110.8° | 110.8° |
| S | C17 | H20 | 110.8° | 111.0° |
| O1 | C20 | N2 | 125.7° | 123.0° |
| C20 | N2 | C18 | 112.8° | 109.0° |
| C20 | N2 | H21 | 123.6° | 125.5° |
| C17 | C18 | N2 | 113.7° | 109.2° |
| C17 | C18 | H1 | 110.4° | 110.5° |
| C18 | C17 | H19 | 110.8° | 110.7° |
| C18 | C17 | H20 | 110.8° | 110.8° |
| C18 | N2 | H21 | 123.6° | 125.5° |
| N2 | C18 | H1 | 111.6° | 110.3° |
| H7 | C9 | H6 | 109.5° | 109.5° |
| H34 | C32 | H33 | 109.5° | 109.7° |
| H32 | C31 | H31 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.5° | 109.1° |
| H9 | C10 | H8 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.4° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.4° | 0.1° |
| C27 | C28 | C29 | C30 | 0.4° | 0.0° |
| C27 | C28 | C29 | H30 | 179.6° | 180.0° |
| C28 | C27 | C26 | H27 | 179.6° | 179.9° |
| C26 | C27 | C28 | C29 | 0.4° | 0.1° |
| C27 | C26 | C25 | H27 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 0.3° | 0.1° |
| C27 | C26 | C25 | C24 | 179.7° | 179.6° |
| C26 | C27 | C28 | H29 | 179.6° | 179.9° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 1.1° | 0.1° |
| C28 | C29 | C30 | C31 | 175.1° | 179.9° |
| C29 | C28 | C27 | H28 | 179.6° | 179.9° |
| C26 | C25 | C30 | C29 | 1.1° | 0.2° |
| C26 | C25 | C30 | C24 | 179.4° | 179.8° |
| C26 | C25 | C30 | C31 | 175.1° | 179.8° |
| C26 | C25 | C24 | N4 | 164.8° | 162.6° |
| C25 | C26 | C27 | H28 | 179.6° | 180.0° |
| C26 | C25 | C24 | H25 | 44.4° | 77.0° |
| C26 | C25 | C24 | H26 | 74.8° | 42.4° |
| C29 | C30 | C25 | C31 | 176.2° | 180.0° |
| C29 | C30 | C25 | C24 | 179.5° | 179.5° |
| C29 | C30 | C31 | C32 | 164.7° | 163.1° |
| C29 | C30 | C31 | H32 | 44.2° | 76.8° |
| C29 | C30 | C31 | H31 | 74.8° | 43.0° |
| C30 | C29 | C28 | H29 | 179.6° | 180.0° |
| C30 | C25 | C24 | N4 | 14.6° | 17.6° |
| C25 | C30 | C31 | C32 | 19.2° | 16.9° |
| C25 | C30 | C31 | H32 | 139.6° | 103.2° |
| C25 | C30 | C31 | H31 | 101.3° | 137.0° |
| C25 | C30 | C29 | H30 | 178.9° | 179.8° |
| C30 | C25 | C26 | H27 | 179.7° | 179.8° |
| C30 | C25 | C24 | H25 | 135.0° | 102.8° |
| C30 | C25 | C24 | H26 | 105.8° | 137.9° |
| C24 | C25 | C30 | C31 | 4.3° | 0.5° |
| C25 | C24 | N4 | H25 | 120.4° | 120.4° |
| C25 | C24 | N4 | H26 | 120.4° | 120.3° |
| C25 | C24 | N4 | C23 | 152.9° | 176.0° |
| C25 | C24 | N4 | C32 | 42.9° | 52.6° |
| C24 | C25 | C26 | H27 | 0.3° | 0.5° |
| C25 | C24 | H25 | H26 | 118.9° | 119.5° |
| C30 | C31 | C32 | N4 | 44.0° | 50.4° |
| C30 | C31 | C32 | H32 | 120.5° | 120.1° |
| C30 | C31 | C32 | H31 | 120.5° | 120.1° |
| C30 | C31 | C32 | H34 | 164.2° | 170.0° |
| C30 | C31 | C32 | H33 | 76.1° | 69.4° |
| C30 | C31 | H32 | H31 | 118.4° | 119.7° |
| C31 | C30 | C29 | H30 | 4.8° | 0.1° |
| C24 | N4 | C23 | C22 | 110.2° | 63.0° |
| C24 | N4 | C23 | C32 | 163.2° | 122.9° |
| C24 | N4 | C23 | C5 | 69.2° | 116.8° |
| C24 | N4 | C32 | C31 | 59.0° | 71.3° |
| C24 | N4 | C32 | H34 | 179.1° | 169.1° |
| C24 | N4 | C32 | H33 | 61.2° | 48.6° |
| N4 | C24 | H25 | H26 | 118.9° | 119.4° |
| C21 | C22 | C23 | H24 | 180.0° | 180.0° |
| C22 | C21 | C7 | H23 | 180.0° | 179.9° |
| C21 | C22 | C23 | N4 | 177.9° | 180.0° |
| C21 | C22 | C23 | C5 | 1.5° | 0.2° |
| C22 | C21 | C7 | C8 | 179.6° | 180.0° |
| C22 | C21 | C7 | C6 | 1.0° | 0.4° |
| C23 | C22 | C21 | C7 | 0.8° | 0.1° |
| C22 | C23 | N4 | C5 | 179.4° | 179.8° |
| C22 | C23 | N4 | C32 | 86.6° | 60.0° |
| C22 | C23 | C5 | C6 | 0.4° | 0.2° |
| C22 | C23 | C5 | C4 | 177.4° | 179.7° |
| C23 | C22 | C21 | H23 | 179.2° | 180.0° |
| C21 | C7 | C8 | O3 | 3.3° | 0.4° |
| C21 | C7 | C8 | C6 | 179.5° | 179.6° |
| C21 | C7 | C8 | N | 178.5° | 179.7° |
| C21 | C7 | C6 | C5 | 2.0° | 0.4° |
| C21 | C7 | C6 | C1 | 177.8° | 179.7° |
| C7 | C21 | C22 | H24 | 179.2° | 179.9° |
| O3 | C8 | C7 | N | 178.3° | 179.9° |
| O3 | C8 | C7 | C6 | 177.2° | 180.0° |
| O3 | C8 | N | C9 | 9.4° | 0.0° |
| O3 | C8 | N | C | 176.9° | 179.9° |
| O2 | C11 | N1 | C10 | 4.6° | 0.4° |
| O2 | C11 | N1 | C12 | 179.8° | 179.9° |
| O2 | C11 | C12 | C13 | 44.5° | 0.0° |
| O2 | C11 | N1 | H10 | 175.4° | 180.0° |
| O2 | C11 | C12 | H11 | 75.8° | 120.0° |
| O2 | C11 | C12 | H12 | 164.8° | 119.9° |
| C23 | N4 | C32 | C31 | 137.6° | 165.3° |
| N4 | C23 | C5 | C6 | 179.0° | 180.0° |
| N4 | C23 | C5 | C4 | 3.2° | 0.0° |
| N4 | C23 | C22 | H24 | 2.1° | 0.0° |
| C23 | N4 | C32 | H34 | 17.4° | 45.7° |
| C23 | N4 | C32 | H33 | 102.2° | 74.7° |
| C23 | N4 | C24 | H25 | 32.6° | 55.5° |
| C23 | N4 | C24 | H26 | 86.7° | 63.8° |
| C32 | N4 | C23 | C5 | 94.1° | 120.3° |
| N4 | C32 | C31 | H34 | 120.2° | 119.6° |
| N4 | C32 | C31 | H33 | 120.2° | 119.8° |
| N4 | C32 | H34 | H33 | 119.5° | 120.4° |
| N4 | C32 | C31 | H32 | 164.5° | 69.7° |
| N4 | C32 | C31 | H31 | 76.5° | 170.5° |
| C32 | N4 | C24 | H25 | 163.2° | 67.8° |
| C32 | N4 | C24 | H26 | 77.5° | 172.9° |
| C23 | C5 | C6 | C7 | 1.3° | 0.1° |
| C23 | C5 | C6 | C4 | 178.0° | 180.0° |
| C23 | C5 | C6 | C1 | 178.5° | 180.0° |
| C23 | C5 | C4 | C3 | 174.0° | 180.0° |
| C23 | C5 | C4 | H5 | 5.9° | 0.0° |
| C5 | C23 | C22 | H24 | 178.5° | 179.8° |
| C8 | C7 | C6 | C5 | 178.5° | 180.0° |
| C8 | C7 | C6 | C1 | 1.7° | 0.1° |
| C7 | C8 | N | C9 | 172.3° | 180.0° |
| C7 | C8 | N | C | 1.5° | 0.0° |
| C8 | C7 | C21 | H23 | 0.4° | 0.1° |
| C6 | C7 | C8 | N | 1.0° | 0.1° |
| C7 | C6 | C5 | C1 | 179.8° | 179.9° |
| C7 | C6 | C5 | C4 | 179.3° | 180.0° |
| C7 | C6 | C1 | C | 2.7° | 0.0° |
| C7 | C6 | C1 | C2 | 175.8° | 179.9° |
| C6 | C7 | C21 | H23 | 179.0° | 179.8° |
| C8 | N | C9 | C10 | 108.2° | 90.0° |
| C8 | N | C9 | C | 174.3° | 179.9° |
| C8 | N | C | C1 | 2.4° | 0.1° |
| C8 | N | C | O | 174.6° | 180.0° |
| C8 | N | C9 | H7 | 12.9° | 150.0° |
| C8 | N | C9 | H6 | 130.7° | 30.0° |
| C31 | C32 | H34 | H33 | 119.5° | 120.6° |
| C32 | C31 | H32 | H31 | 118.4° | 119.8° |
| N1 | C10 | C9 | H9 | 120.1° | 120.0° |
| N1 | C10 | C9 | H8 | 120.1° | 120.0° |
| C10 | N1 | C11 | H10 | 180.0° | 179.6° |
| C10 | N1 | C11 | C12 | 175.6° | 179.7° |
| N1 | C10 | C9 | N | 171.8° | 180.0° |
| N1 | C10 | C9 | H7 | 67.1° | 60.0° |
| N1 | C10 | C9 | H6 | 50.7° | 60.0° |
| N1 | C10 | H9 | H8 | 119.7° | 120.0° |
| C9 | C10 | N1 | C11 | 63.5° | 179.7° |
| C10 | C9 | N | H7 | 121.1° | 119.9° |
| C10 | C9 | N | H6 | 121.1° | 120.0° |
| C10 | C9 | N | C | 77.5° | 89.9° |
| C9 | C10 | N1 | H10 | 116.5° | 0.1° |
| C10 | C9 | H7 | H6 | 116.6° | 120.0° |
| C9 | C10 | H9 | H8 | 119.7° | 120.0° |
| N1 | C11 | C12 | C13 | 135.7° | 180.0° |
| C11 | N1 | C10 | H9 | 176.4° | 59.7° |
| C11 | N1 | C10 | H8 | 56.6° | 60.3° |
| N1 | C11 | C12 | H11 | 103.9° | 60.0° |
| N1 | C11 | C12 | H12 | 15.4° | 60.0° |
| C11 | C12 | C13 | H11 | 120.4° | 120.0° |
| C11 | C12 | C13 | H12 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 58.6° | 180.0° |
| C12 | C11 | N1 | H10 | 4.4° | 0.1° |
| C11 | C12 | H11 | H12 | 118.9° | 120.0° |
| C11 | C12 | C13 | H13 | 62.0° | 60.0° |
| C11 | C12 | C13 | H14 | 179.1° | 60.0° |
| C6 | C5 | C4 | C3 | 3.8° | 0.1° |
| C5 | C6 | C1 | C | 177.5° | 180.0° |
| C5 | C6 | C1 | C2 | 4.0° | 0.0° |
| C6 | C5 | C4 | H5 | 176.2° | 180.0° |
| C4 | C5 | C6 | C1 | 0.5° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 4.7° | 0.0° |
| C5 | C4 | C3 | H4 | 175.2° | 180.0° |
| C6 | C1 | C | N | 2.9° | 0.1° |
| C6 | C1 | C | C2 | 178.5° | 179.9° |
| C6 | C1 | C | O | 173.9° | 180.0° |
| C6 | C1 | C2 | C3 | 3.3° | 0.1° |
| C6 | C1 | C2 | H3 | 176.7° | 180.0° |
| C9 | N | C | C1 | 171.4° | 180.0° |
| C9 | N | C | O | 11.6° | 0.0° |
| N | C9 | H7 | H6 | 116.7° | 120.0° |
| N | C9 | C10 | H9 | 51.7° | 60.0° |
| N | C9 | C10 | H8 | 68.1° | 60.0° |
| N | C | C1 | O | 176.9° | 179.9° |
| N | C | C1 | C2 | 175.5° | 180.0° |
| C | N | C9 | H7 | 161.4° | 30.0° |
| C | N | C9 | H6 | 43.5° | 150.1° |
| C12 | C13 | C14 | H13 | 120.5° | 120.0° |
| C12 | C13 | C14 | H14 | 120.5° | 120.0° |
| C12 | C13 | C14 | C15 | 177.1° | 180.0° |
| C13 | C12 | H11 | H12 | 118.8° | 120.0° |
| C12 | C13 | H13 | H14 | 118.4° | 120.0° |
| C12 | C13 | C14 | H15 | 62.5° | 60.0° |
| C12 | C13 | C14 | H16 | 56.7° | 60.0° |
| C4 | C3 | C2 | C1 | 1.1° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H3 | 178.9° | 180.0° |
| C | C1 | C2 | C3 | 178.3° | 180.0° |
| C | C1 | C2 | H3 | 1.7° | 0.1° |
| O | C | C1 | C2 | 7.6° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C1 | C2 | C3 | H4 | 178.9° | 179.9° |
| C13 | C14 | C15 | H15 | 120.4° | 120.0° |
| C13 | C14 | C15 | H16 | 120.4° | 119.9° |
| C13 | C14 | C15 | C16 | 172.9° | 180.0° |
| C14 | C13 | C12 | H11 | 178.9° | 60.0° |
| C14 | C13 | C12 | H12 | 61.8° | 60.0° |
| C14 | C13 | H13 | H14 | 118.4° | 120.0° |
| C13 | C14 | H15 | H16 | 118.8° | 119.9° |
| C13 | C14 | C15 | H17 | 65.8° | 60.0° |
| C13 | C14 | C15 | H18 | 51.7° | 60.0° |
| C2 | C3 | C4 | H5 | 175.3° | 180.0° |
| C14 | C15 | C16 | H17 | 121.2° | 120.0° |
| C14 | C15 | C16 | H18 | 121.2° | 120.0° |
| C14 | C15 | C16 | C19 | 168.7° | 175.0° |
| C14 | C15 | C16 | S | 73.5° | 71.7° |
| C15 | C14 | C13 | H13 | 56.5° | 60.0° |
| C15 | C14 | C13 | H14 | 62.4° | 60.0° |
| C15 | C14 | H15 | H16 | 118.8° | 120.1° |
| C14 | C15 | H17 | H18 | 116.1° | 120.0° |
| C14 | C15 | C16 | H | 45.0° | 51.8° |
| C15 | C16 | C19 | S | 123.8° | 118.2° |
| C15 | C16 | C19 | H | 123.8° | 123.2° |
| C15 | C16 | S | H | 120.4° | 123.3° |
| C15 | C16 | C19 | N3 | 44.6° | 28.0° |
| C15 | C16 | C19 | C18 | 159.4° | 142.9° |
| C15 | C16 | S | C17 | 172.7° | 152.9° |
| C16 | C15 | C14 | H15 | 52.6° | 60.0° |
| C16 | C15 | C14 | H16 | 66.7° | 60.1° |
| C16 | C15 | H17 | H18 | 116.1° | 120.0° |
| C15 | C16 | C19 | H2 | 82.0° | 93.2° |
| C19 | C16 | S | H | 114.7° | 118.4° |
| C16 | C19 | N3 | C18 | 118.0° | 120.1° |
| C16 | C19 | N3 | H2 | 126.0° | 121.3° |
| C16 | C19 | N3 | C20 | 117.3° | 120.1° |
| C16 | C19 | C18 | H2 | 118.8° | 123.8° |
| C19 | C16 | S | C17 | 47.9° | 34.7° |
| C16 | C19 | C18 | C17 | 3.1° | 0.0° |
| C16 | C19 | C18 | N2 | 123.6° | 118.0° |
| C16 | C19 | N3 | H22 | 62.7° | 59.8° |
| C19 | C16 | C15 | H17 | 47.4° | 55.0° |
| C19 | C16 | C15 | H18 | 70.1° | 65.0° |
| C16 | C19 | C18 | H1 | 117.5° | 123.7° |
| S | C16 | C19 | N3 | 79.2° | 90.2° |
| S | C16 | C19 | C18 | 35.7° | 24.7° |
| C16 | S | C17 | C18 | 46.4° | 34.7° |
| S | C16 | C15 | H17 | 165.3° | 168.3° |
| S | C16 | C15 | H18 | 47.7° | 48.2° |
| S | C16 | C19 | H2 | 154.2° | 148.6° |
| C16 | S | C17 | H19 | 165.6° | 83.6° |
| C16 | S | C17 | H20 | 72.8° | 153.1° |
| C19 | N3 | C20 | H22 | 180.0° | 179.9° |
| N3 | C19 | C18 | H2 | 117.2° | 118.3° |
| C19 | N3 | C20 | O1 | 175.4° | 179.9° |
| C19 | N3 | C20 | N2 | 0.6° | 0.2° |
| N3 | C19 | C18 | C17 | 120.9° | 117.8° |
| N3 | C19 | C18 | N2 | 0.4° | 0.2° |
| N3 | C19 | C16 | H | 168.4° | 151.2° |
| N3 | C19 | C18 | H1 | 118.5° | 118.4° |
| C20 | N3 | C19 | C18 | 0.7° | 0.0° |
| N3 | C20 | O1 | N2 | 175.4° | 179.8° |
| N3 | C20 | N2 | C18 | 0.3° | 0.3° |
| N3 | C20 | N2 | H21 | 179.7° | 180.0° |
| C20 | N3 | C19 | H2 | 116.7° | 118.5° |
| C19 | C18 | C17 | S | 31.5° | 24.6° |
| C19 | C18 | N2 | C20 | 0.1° | 0.3° |
| C19 | C18 | C17 | N2 | 113.2° | 114.9° |
| C19 | C18 | C17 | H1 | 120.4° | 123.7° |
| C19 | C18 | N2 | H1 | 117.7° | 118.3° |
| C19 | C18 | N2 | H21 | 179.9° | 180.0° |
| C18 | C19 | N3 | H22 | 179.3° | 179.9° |
| C18 | C19 | C16 | H | 76.8° | 94.0° |
| C19 | C18 | C17 | H19 | 150.6° | 93.7° |
| C19 | C18 | C17 | H20 | 87.7° | 143.1° |
| S | C17 | C18 | H19 | 119.2° | 118.3° |
| S | C17 | C18 | H20 | 119.2° | 118.6° |
| S | C17 | C18 | N2 | 81.7° | 90.3° |
| C17 | S | C16 | H | 66.9° | 83.8° |
| S | C17 | C18 | H1 | 151.9° | 148.3° |
| S | C17 | H19 | H20 | 122.4° | 123.5° |
| O1 | C20 | N2 | C18 | 175.7° | 179.9° |
| O1 | C20 | N2 | H21 | 4.2° | 0.3° |
| O1 | C20 | N3 | H22 | 4.6° | 0.1° |
| C20 | N2 | C18 | C17 | 116.6° | 119.9° |
| C20 | N2 | C18 | H21 | 180.0° | 179.7° |
| N2 | C20 | N3 | H22 | 179.4° | 179.9° |
| C20 | N2 | C18 | H1 | 117.6° | 118.6° |
| C17 | C18 | N2 | H1 | 125.8° | 121.6° |
| C17 | C18 | N2 | H21 | 63.4° | 59.8° |
| C17 | C18 | C19 | H2 | 121.9° | 123.9° |
| C18 | C17 | H19 | H20 | 122.4° | 123.2° |
| N2 | C18 | C19 | H2 | 117.6° | 118.1° |
| N2 | C18 | C17 | H19 | 37.5° | 151.4° |
| N2 | C18 | C17 | H20 | 159.1° | 28.3° |
| H10 | N1 | C10 | H9 | 3.6° | 120.0° |
| H10 | N1 | C10 | H8 | 123.4° | 120.0° |
| H21 | N2 | C18 | H1 | 62.4° | 61.8° |
| H7 | C9 | C10 | H9 | 172.8° | 60.0° |
| H7 | C9 | C10 | H8 | 53.0° | 180.0° |
| H6 | C9 | C10 | H9 | 69.4° | 179.9° |
| H6 | C9 | C10 | H8 | 170.8° | 60.0° |
| H22 | N3 | C19 | H2 | 63.3° | 61.5° |
| H5 | C4 | C3 | H4 | 4.7° | 0.0° |
| H4 | C3 | C2 | H3 | 1.1° | 0.0° |
| H23 | C21 | C22 | H24 | 0.8° | 0.1° |
| H34 | C32 | C31 | H32 | 75.3° | 50.0° |
| H34 | C32 | C31 | H31 | 43.7° | 69.8° |
| H33 | C32 | C31 | H32 | 44.4° | 170.5° |
| H33 | C32 | C31 | H31 | 163.4° | 50.7° |
| H30 | C29 | C28 | H29 | 0.4° | 0.0° |
| H29 | C28 | C27 | H28 | 0.4° | 0.0° |
| H28 | C27 | C26 | H27 | 0.4° | 0.1° |
| H11 | C12 | C13 | H13 | 58.4° | 179.9° |
| H11 | C12 | C13 | H14 | 60.5° | 60.0° |
| H12 | C12 | C13 | H13 | 177.6° | 59.9° |
| H12 | C12 | C13 | H14 | 58.7° | 180.0° |
| H13 | C13 | C14 | H15 | 176.9° | 180.0° |
| H13 | C13 | C14 | H16 | 63.9° | 60.0° |
| H14 | C13 | C14 | H15 | 58.0° | 60.0° |
| H14 | C13 | C14 | H16 | 177.2° | 179.9° |
| H15 | C14 | C15 | H17 | 173.8° | 180.0° |
| H15 | C14 | C15 | H18 | 68.7° | 60.0° |
| H16 | C14 | C15 | H17 | 54.6° | 59.9° |
| H16 | C14 | C15 | H18 | 172.1° | 180.0° |
| H17 | C15 | C16 | H | 76.2° | 68.2° |
| H18 | C15 | C16 | H | 166.2° | 171.7° |
| H | C16 | C19 | H2 | 41.8° | 30.0° |
| H2 | C19 | C18 | H1 | 1.3° | 0.1° |
| H1 | C18 | C17 | H19 | 89.0° | 30.0° |
| H1 | C18 | C17 | H20 | 32.7° | 93.2° |
