K0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C21 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C12 | N1 | sing | 1.47Å | 1.49Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| O2 | C17 | doub | 1.21Å | 1.23Å | |
| C18 | N2 | sing | 1.47Å | 1.45Å | |
| C18 | C27 | sing | 1.51Å | 1.53Å | |
| N6 | C32 | doub | 1.30Å | 1.34Å | |
| C17 | N2 | sing | 1.35Å | 1.34Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| N1 | C16 | sing | 1.47Å | 1.49Å | |
| N1 | S | sing | 1.66Å | 1.65Å | |
| C10 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C27 | sing | 1.35Å | 1.34Å | |
| N3 | C28 | sing | 1.46Å | 1.45Å | |
| O4 | C33 | doub | 1.21Å | 1.31Å | |
| C9 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | N4 | sing | 1.46Å | 1.47Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| C27 | O3 | doub | 1.21Å | 1.23Å | |
| C32 | N4 | sing | 1.38Å | 1.27Å | |
| C32 | N5 | sing | 1.37Å | 1.34Å | |
| C11 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C7 | sing | 1.76Å | 1.78Å | |
| C28 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | O5 | sing | 1.34Å | 1.22Å | |
| C8 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| C8 | C3 | sing | 1.42Å | 1.44Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | N | sing | 1.39Å | 1.44Å | |
| C7 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| C | N | sing | 1.47Å | 1.45Å | |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| N | C1 | sing | 1.47Å | 1.45Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| O5 | H6 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| N5 | H43 | sing | 0.97Å | 1.00Å | |
| N5 | H44 | sing | 0.97Å | 1.00Å | |
| N6 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C23 | C22 | C21 | 120.8° | 120.0° |
| C23 | C22 | H31 | 119.6° | 120.0° |
| C22 | C23 | H32 | 119.9° | 120.0° |
| C23 | C24 | C25 | 119.5° | 120.0° |
| C24 | C23 | H32 | 119.9° | 120.0° |
| C23 | C24 | H33 | 120.2° | 120.0° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C22 | C21 | C26 | 118.4° | 120.0° |
| C21 | C22 | H31 | 119.6° | 120.0° |
| C14 | C13 | C12 | 111.2° | 109.3° |
| C13 | C14 | C15 | 111.7° | 109.5° |
| C14 | C13 | H12 | 109.0° | 109.5° |
| C14 | C13 | H13 | 109.1° | 109.5° |
| C13 | C14 | H14 | 108.9° | 109.4° |
| C13 | C14 | H15 | 108.9° | 109.5° |
| C13 | C12 | N1 | 110.8° | 108.8° |
| C13 | C12 | H9 | 109.1° | 109.6° |
| C13 | C12 | H10 | 109.1° | 109.7° |
| C12 | C13 | H12 | 109.0° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.5° |
| C24 | C25 | C26 | 120.3° | 120.0° |
| C25 | C24 | H33 | 120.2° | 120.0° |
| C24 | C25 | H34 | 119.8° | 120.0° |
| C20 | C21 | C26 | 121.4° | 120.0° |
| C21 | C20 | C19 | 116.6° | 109.5° |
| C21 | C20 | H29 | 107.7° | 109.4° |
| C21 | C20 | H30 | 107.7° | 109.5° |
| C21 | C26 | C25 | 120.8° | 120.0° |
| C21 | C26 | H35 | 119.6° | 120.0° |
| C14 | C15 | C16 | 111.1° | 109.3° |
| C15 | C14 | H14 | 108.9° | 109.4° |
| C15 | C14 | H15 | 108.9° | 109.5° |
| C14 | C15 | H16 | 109.1° | 109.5° |
| C14 | C15 | H17 | 109.1° | 109.4° |
| C20 | C19 | C18 | 112.4° | 109.5° |
| C20 | C19 | H27 | 108.7° | 109.5° |
| C20 | C19 | H28 | 108.7° | 109.5° |
| C19 | C20 | H29 | 107.7° | 109.5° |
| C19 | C20 | H30 | 107.7° | 109.5° |
| C12 | N1 | C16 | 116.7° | 118.7° |
| C12 | N1 | S | 121.1° | 120.6° |
| N1 | C12 | H9 | 109.2° | 109.6° |
| N1 | C12 | H10 | 109.1° | 109.6° |
| C26 | C25 | H34 | 119.8° | 120.0° |
| C25 | C26 | H35 | 119.6° | 120.0° |
| C15 | C16 | C17 | 109.5° | 109.8° |
| C15 | C16 | N1 | 110.8° | 108.8° |
| C16 | C15 | H16 | 109.0° | 109.5° |
| C16 | C15 | H17 | 109.1° | 109.6° |
| C15 | C16 | H25 | 104.9° | 109.4° |
| C19 | C18 | N2 | 109.7° | 109.4° |
| C19 | C18 | C27 | 111.4° | 109.5° |
| C19 | C18 | H26 | 107.5° | 109.5° |
| C18 | C19 | H27 | 108.7° | 109.4° |
| C18 | C19 | H28 | 108.8° | 109.4° |
| O2 | C17 | N2 | 123.7° | 120.0° |
| O2 | C17 | C16 | 120.4° | 120.0° |
| N2 | C18 | C27 | 112.2° | 109.4° |
| C18 | N2 | C17 | 124.2° | 120.0° |
| C18 | N2 | H4 | 117.9° | 120.1° |
| N2 | C18 | H26 | 108.4° | 109.5° |
| C18 | C27 | N3 | 116.3° | 120.0° |
| C18 | C27 | O3 | 120.3° | 120.0° |
| C27 | C18 | H26 | 107.5° | 109.5° |
| N6 | C32 | N4 | 117.6° | 120.0° |
| N6 | C32 | N5 | 117.7° | 120.0° |
| C32 | N6 | H45 | 112.0° | 120.0° |
| N2 | C17 | C16 | 115.9° | 120.0° |
| C17 | N2 | H4 | 117.9° | 119.9° |
| C17 | C16 | N1 | 120.1° | 109.6° |
| C17 | C16 | H25 | 104.9° | 109.7° |
| C16 | N1 | S | 119.7° | 120.7° |
| N1 | C16 | H25 | 105.3° | 109.6° |
| N1 | S | O | 107.5° | 106.4° |
| N1 | S | O1 | 107.0° | 106.4° |
| N1 | S | C7 | 106.6° | 107.2° |
| C9 | C10 | C11 | 121.0° | 121.1° |
| C10 | C9 | C8 | 121.2° | 120.0° |
| C10 | C9 | H5 | 119.4° | 120.0° |
| C9 | C10 | H7 | 119.5° | 119.4° |
| C10 | C11 | C2 | 120.8° | 120.8° |
| C11 | C10 | H7 | 119.5° | 119.5° |
| C10 | C11 | H8 | 119.6° | 119.5° |
| C27 | N3 | C28 | 124.3° | 120.0° |
| N3 | C27 | O3 | 123.4° | 120.0° |
| C27 | N3 | H11 | 117.9° | 120.0° |
| N3 | C28 | C29 | 110.4° | 109.5° |
| N3 | C28 | C33 | 109.7° | 109.5° |
| C28 | N3 | H11 | 117.9° | 120.0° |
| N3 | C28 | H36 | 109.0° | 109.5° |
| O4 | C33 | C28 | 112.9° | 120.0° |
| O4 | C33 | O5 | 124.4° | 120.0° |
| C9 | C8 | C7 | 123.8° | 121.2° |
| C9 | C8 | C3 | 118.3° | 119.5° |
| C8 | C9 | H5 | 119.4° | 120.0° |
| C28 | C29 | C30 | 118.5° | 109.5° |
| C29 | C28 | C33 | 111.4° | 109.5° |
| C29 | C28 | H36 | 108.0° | 109.4° |
| C28 | C29 | H37 | 107.2° | 109.5° |
| C28 | C29 | H38 | 107.2° | 109.5° |
| C29 | C30 | C31 | 104.3° | 109.5° |
| C30 | C29 | H37 | 107.2° | 109.4° |
| C30 | C29 | H38 | 107.2° | 109.4° |
| C29 | C30 | H39 | 110.7° | 109.4° |
| C29 | C30 | H40 | 110.8° | 109.4° |
| N4 | C31 | C30 | 110.3° | 109.5° |
| C31 | N4 | C32 | 127.3° | 120.0° |
| C31 | N4 | H18 | 116.3° | 120.1° |
| N4 | C31 | H41 | 109.3° | 109.5° |
| N4 | C31 | H42 | 109.3° | 109.5° |
| C31 | C30 | H39 | 110.8° | 109.5° |
| C31 | C30 | H40 | 110.8° | 109.5° |
| C30 | C31 | H41 | 109.3° | 109.5° |
| C30 | C31 | H42 | 109.3° | 109.4° |
| O | S | O1 | 119.7° | 123.1° |
| O | S | C7 | 108.5° | 106.4° |
| N4 | C32 | N5 | 124.7° | 120.0° |
| C32 | N4 | H18 | 116.4° | 119.9° |
| C32 | N5 | H43 | 120.0° | 120.0° |
| C32 | N5 | H44 | 120.0° | 120.0° |
| C11 | C2 | C3 | 119.6° | 119.4° |
| C11 | C2 | N | 122.0° | 120.3° |
| C2 | C11 | H8 | 119.6° | 119.7° |
| O1 | S | C7 | 106.9° | 106.4° |
| S | C7 | C8 | 122.6° | 120.2° |
| S | C7 | C6 | 116.0° | 120.2° |
| C28 | C33 | O5 | 122.7° | 120.0° |
| C33 | C28 | H36 | 108.2° | 109.5° |
| C33 | O5 | H6 | 109.5° | 117.0° |
| C7 | C8 | C3 | 117.9° | 119.3° |
| C8 | C7 | C6 | 121.0° | 119.7° |
| C8 | C3 | C2 | 119.0° | 119.3° |
| C8 | C3 | C4 | 118.3° | 119.5° |
| C3 | C2 | N | 118.2° | 120.3° |
| C2 | C3 | C4 | 122.5° | 121.2° |
| C2 | N | C | 116.1° | 111.0° |
| C2 | N | C1 | 116.7° | 111.0° |
| C7 | C6 | C5 | 120.4° | 120.9° |
| C7 | C6 | H3 | 119.8° | 119.5° |
| C | N | C1 | 118.0° | 111.0° |
| N | C | H19 | 109.5° | 109.5° |
| N | C | H20 | 109.4° | 109.5° |
| N | C | H21 | 109.5° | 109.5° |
| C3 | C4 | C5 | 121.1° | 119.6° |
| C3 | C4 | H1 | 119.5° | 120.2° |
| N | C1 | H22 | 109.5° | 109.5° |
| N | C1 | H23 | 109.5° | 109.5° |
| N | C1 | H24 | 109.5° | 109.4° |
| C6 | C5 | C4 | 121.0° | 121.0° |
| C6 | C5 | H2 | 119.5° | 119.5° |
| C5 | C6 | H3 | 119.8° | 119.6° |
| C5 | C4 | H1 | 119.5° | 120.2° |
| C4 | C5 | H2 | 119.5° | 119.4° |
| H9 | C12 | H10 | 109.5° | 109.6° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.4° |
| H19 | C | H21 | 109.4° | 109.4° |
| H20 | C | H21 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.4° | 109.5° |
| H22 | C1 | H24 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.4° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.4° | 109.4° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H41 | C31 | H42 | 109.5° | 109.5° |
| H43 | N5 | H44 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H32 | 180.0° | 179.9° |
| C23 | C22 | C21 | H31 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.1° | 0.0° |
| C23 | C22 | C21 | C20 | 179.8° | 180.0° |
| C23 | C22 | C21 | C26 | 0.5° | 0.3° |
| C22 | C23 | C24 | H33 | 178.9° | 179.9° |
| C24 | C23 | C22 | C21 | 0.8° | 0.0° |
| C23 | C24 | C25 | H33 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.3° |
| C24 | C23 | C22 | H31 | 179.3° | 180.0° |
| C23 | C24 | C25 | H34 | 179.8° | 180.0° |
| C22 | C21 | C20 | C26 | 179.7° | 179.7° |
| C22 | C21 | C20 | C19 | 158.0° | 89.7° |
| C22 | C21 | C26 | C25 | 1.4° | 0.6° |
| C22 | C21 | C20 | H29 | 37.0° | 150.2° |
| C22 | C21 | C20 | H30 | 80.9° | 30.4° |
| C21 | C22 | C23 | H32 | 179.2° | 179.9° |
| C22 | C21 | C26 | H35 | 178.6° | 179.8° |
| C14 | C13 | C12 | H12 | 120.2° | 120.0° |
| C14 | C13 | C12 | H13 | 120.3° | 119.9° |
| C13 | C14 | C15 | H14 | 120.3° | 120.0° |
| C13 | C14 | C15 | H15 | 120.3° | 120.0° |
| C14 | C13 | C12 | N1 | 15.8° | 54.6° |
| C13 | C14 | C15 | C16 | 48.9° | 61.3° |
| C14 | C13 | C12 | H9 | 136.0° | 65.2° |
| C14 | C13 | C12 | H10 | 104.4° | 174.4° |
| C14 | C13 | H12 | H13 | 119.2° | 120.1° |
| C13 | C14 | H14 | H15 | 118.9° | 120.0° |
| C13 | C14 | C15 | H16 | 169.1° | 178.7° |
| C13 | C14 | C15 | H17 | 71.4° | 58.6° |
| C12 | C13 | C14 | C15 | 62.3° | 61.3° |
| C13 | C12 | N1 | H9 | 120.2° | 119.8° |
| C13 | C12 | N1 | H10 | 120.2° | 119.9° |
| C13 | C12 | N1 | C16 | 42.8° | 53.6° |
| C13 | C12 | N1 | S | 119.2° | 126.7° |
| C13 | C12 | H9 | H10 | 119.4° | 120.5° |
| C12 | C13 | H12 | H13 | 119.2° | 120.1° |
| C12 | C13 | C14 | H14 | 58.0° | 58.7° |
| C12 | C13 | C14 | H15 | 177.3° | 178.6° |
| C24 | C25 | C26 | C21 | 1.1° | 0.6° |
| C24 | C25 | C26 | H34 | 180.0° | 179.7° |
| C25 | C24 | C23 | H32 | 178.9° | 179.9° |
| C24 | C25 | C26 | H35 | 178.9° | 179.8° |
| C21 | C20 | C19 | H29 | 121.1° | 120.0° |
| C21 | C20 | C19 | H30 | 121.0° | 120.0° |
| C20 | C21 | C26 | C25 | 178.8° | 179.7° |
| C21 | C20 | C19 | C18 | 178.0° | 180.0° |
| C21 | C20 | C19 | H27 | 61.6° | 60.1° |
| C21 | C20 | C19 | H28 | 57.6° | 60.0° |
| C21 | C20 | H29 | H30 | 116.8° | 119.9° |
| C20 | C21 | C22 | H31 | 0.2° | 0.0° |
| C20 | C21 | C26 | H35 | 1.1° | 0.1° |
| C26 | C21 | C20 | C19 | 22.2° | 89.9° |
| C21 | C26 | C25 | H35 | 180.0° | 179.6° |
| C26 | C21 | C20 | H29 | 143.3° | 30.1° |
| C26 | C21 | C20 | H30 | 98.8° | 150.0° |
| C26 | C21 | C22 | H31 | 179.5° | 179.7° |
| C21 | C26 | C25 | H34 | 178.9° | 179.7° |
| C14 | C15 | C16 | H16 | 120.3° | 119.9° |
| C14 | C15 | C16 | H17 | 120.3° | 119.9° |
| C14 | C15 | C16 | C17 | 127.5° | 174.5° |
| C14 | C15 | C16 | N1 | 7.3° | 54.7° |
| C15 | C14 | C13 | H12 | 57.9° | 178.7° |
| C15 | C14 | C13 | H13 | 177.4° | 58.6° |
| C15 | C14 | H14 | H15 | 119.0° | 120.0° |
| C14 | C15 | H16 | H17 | 119.2° | 120.0° |
| C14 | C15 | C16 | H25 | 120.4° | 65.0° |
| C20 | C19 | C18 | H27 | 120.4° | 120.0° |
| C20 | C19 | C18 | H28 | 120.4° | 120.0° |
| C20 | C19 | C18 | N2 | 65.2° | 65.0° |
| C20 | C19 | C18 | C27 | 170.0° | 175.0° |
| C20 | C19 | C18 | H26 | 52.5° | 55.0° |
| C20 | C19 | H27 | H28 | 118.7° | 120.0° |
| C19 | C20 | H29 | H30 | 116.8° | 120.1° |
| C12 | N1 | C16 | C15 | 55.5° | 53.7° |
| C12 | N1 | C16 | C17 | 73.7° | 173.6° |
| C12 | N1 | C16 | S | 162.2° | 179.7° |
| C12 | N1 | S | O | 7.6° | 138.6° |
| C12 | N1 | S | O1 | 137.3° | 5.7° |
| C12 | N1 | S | C7 | 108.5° | 107.8° |
| N1 | C12 | H9 | H10 | 119.4° | 120.2° |
| N1 | C12 | C13 | H12 | 104.5° | 174.6° |
| N1 | C12 | C13 | H13 | 136.0° | 65.3° |
| C12 | N1 | C16 | H25 | 168.4° | 65.9° |
| C26 | C25 | C24 | H33 | 179.8° | 179.8° |
| C15 | C16 | C17 | O2 | 38.3° | 139.1° |
| C15 | C16 | C17 | N2 | 143.7° | 40.9° |
| C15 | C16 | C17 | N1 | 129.8° | 119.4° |
| C15 | C16 | C17 | H25 | 112.1° | 120.3° |
| C15 | C16 | N1 | H25 | 112.9° | 119.6° |
| C15 | C16 | N1 | S | 106.7° | 126.7° |
| C16 | C15 | C14 | H14 | 71.5° | 58.6° |
| C16 | C15 | C14 | H15 | 169.2° | 178.6° |
| C16 | C15 | H16 | H17 | 119.2° | 120.2° |
| C19 | C18 | N2 | C27 | 124.4° | 120.0° |
| C19 | C18 | N2 | H26 | 117.1° | 120.0° |
| C19 | C18 | C27 | H26 | 117.5° | 120.0° |
| C19 | C18 | N2 | C17 | 172.7° | 85.0° |
| C19 | C18 | C27 | N3 | 103.0° | 60.0° |
| C19 | C18 | C27 | O3 | 79.1° | 120.0° |
| C19 | C18 | N2 | H4 | 7.3° | 95.0° |
| C18 | C19 | H27 | H28 | 118.7° | 120.0° |
| C18 | C19 | C20 | H29 | 56.9° | 60.0° |
| C18 | C19 | C20 | H30 | 61.0° | 60.0° |
| O2 | C17 | N2 | C18 | 1.9° | 4.9° |
| O2 | C17 | N2 | C16 | 178.0° | 180.0° |
| O2 | C17 | C16 | N1 | 168.1° | 101.5° |
| O2 | C17 | N2 | H4 | 178.1° | 175.1° |
| O2 | C17 | C16 | H25 | 73.9° | 18.8° |
| N2 | C18 | C27 | H26 | 119.1° | 120.0° |
| C18 | N2 | C17 | H4 | 180.0° | 180.0° |
| C18 | N2 | C17 | C16 | 179.9° | 175.1° |
| N2 | C18 | C27 | N3 | 133.6° | 180.0° |
| N2 | C18 | C27 | O3 | 44.3° | 0.0° |
| N2 | C18 | C19 | H27 | 174.4° | 55.0° |
| N2 | C18 | C19 | H28 | 55.2° | 175.0° |
| C27 | C18 | N2 | C17 | 62.9° | 155.0° |
| C18 | C27 | N3 | O3 | 177.8° | 180.0° |
| C18 | C27 | N3 | C28 | 178.5° | 180.0° |
| C27 | C18 | N2 | H4 | 117.0° | 25.0° |
| C18 | C27 | N3 | H11 | 1.4° | 0.0° |
| C27 | C18 | C19 | H27 | 49.6° | 65.0° |
| C27 | C18 | C19 | H28 | 69.6° | 55.1° |
| N6 | C32 | N4 | C31 | 0.2° | 180.0° |
| N6 | C32 | N4 | N5 | 179.6° | 180.0° |
| N6 | C32 | N4 | H18 | 179.8° | 0.0° |
| N6 | C32 | N5 | H43 | 179.6° | 180.0° |
| N6 | C32 | N5 | H44 | 0.4° | 0.0° |
| N2 | C17 | C16 | N1 | 13.8° | 78.5° |
| N2 | C17 | C16 | H25 | 104.2° | 161.2° |
| C17 | N2 | C18 | H26 | 55.6° | 35.0° |
| C17 | C16 | N1 | H25 | 117.9° | 120.4° |
| C17 | C16 | N1 | S | 124.0° | 6.7° |
| C16 | C17 | N2 | H4 | 0.1° | 5.0° |
| C17 | C16 | C15 | H16 | 112.3° | 65.6° |
| C17 | C16 | C15 | H17 | 7.2° | 54.6° |
| C16 | N1 | S | O | 153.9° | 41.7° |
| C16 | N1 | S | O1 | 24.1° | 174.6° |
| C16 | N1 | S | C7 | 90.0° | 71.8° |
| C16 | N1 | C12 | H9 | 77.4° | 66.2° |
| C16 | N1 | C12 | H10 | 162.9° | 173.5° |
| N1 | C16 | C15 | H16 | 113.0° | 174.6° |
| N1 | C16 | C15 | H17 | 127.5° | 65.2° |
| N1 | S | O | O1 | 122.1° | 122.9° |
| N1 | S | O | C7 | 114.9° | 114.1° |
| N1 | S | O1 | C7 | 113.9° | 114.1° |
| N1 | S | C7 | C8 | 53.8° | 64.1° |
| N1 | S | C7 | C6 | 119.9° | 115.9° |
| S | N1 | C12 | H9 | 120.6° | 113.5° |
| S | N1 | C12 | H10 | 1.0° | 6.8° |
| S | N1 | C16 | H25 | 6.1° | 113.8° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C9 | C10 | C11 | C2 | 0.6° | 0.0° |
| C10 | C9 | C8 | C7 | 177.9° | 180.0° |
| C10 | C9 | C8 | C3 | 1.0° | 0.3° |
| C9 | C10 | C11 | H8 | 179.4° | 180.0° |
| C11 | C10 | C9 | C8 | 0.8° | 0.0° |
| C10 | C11 | C2 | H8 | 180.0° | 180.0° |
| C10 | C11 | C2 | C3 | 1.4° | 0.3° |
| C10 | C11 | C2 | N | 174.0° | 180.0° |
| C11 | C10 | C9 | H5 | 179.2° | 179.9° |
| C27 | N3 | C28 | H11 | 180.0° | 180.0° |
| C27 | N3 | C28 | C29 | 136.1° | 155.0° |
| C27 | N3 | C28 | C33 | 100.8° | 85.0° |
| N3 | C27 | C18 | H26 | 14.5° | 60.0° |
| C27 | N3 | C28 | H36 | 17.5° | 35.0° |
| N3 | C28 | C33 | O4 | 68.0° | 0.0° |
| N3 | C28 | C29 | C33 | 122.1° | 120.0° |
| N3 | C28 | C29 | H36 | 119.2° | 120.0° |
| N3 | C28 | C29 | C30 | 175.7° | 65.0° |
| C28 | N3 | C27 | O3 | 0.7° | 0.0° |
| N3 | C28 | C33 | H36 | 118.9° | 120.0° |
| N3 | C28 | C33 | O5 | 111.1° | 180.0° |
| N3 | C28 | C29 | H37 | 63.0° | 55.0° |
| N3 | C28 | C29 | H38 | 54.4° | 175.0° |
| O4 | C33 | C28 | C29 | 54.5° | 120.0° |
| O4 | C33 | C28 | O5 | 179.2° | 180.0° |
| O4 | C33 | O5 | H6 | 0.0° | 0.0° |
| O4 | C33 | C28 | H36 | 173.1° | 120.0° |
| C9 | C8 | C7 | S | 15.0° | 0.0° |
| C9 | C8 | C7 | C3 | 176.9° | 179.7° |
| C9 | C8 | C3 | C2 | 2.9° | 0.6° |
| C9 | C8 | C7 | C6 | 171.6° | 180.0° |
| C9 | C8 | C3 | C4 | 174.0° | 179.7° |
| C8 | C9 | C10 | H7 | 179.2° | 180.0° |
| C28 | C29 | C30 | H37 | 121.3° | 120.0° |
| C28 | C29 | C30 | H38 | 121.3° | 120.1° |
| C28 | C29 | C30 | C31 | 170.9° | 180.0° |
| C29 | C28 | C33 | H36 | 118.6° | 120.0° |
| C29 | C28 | C33 | O5 | 126.3° | 60.0° |
| C29 | C28 | N3 | H11 | 43.9° | 25.0° |
| C28 | C29 | H37 | H38 | 115.9° | 120.1° |
| C28 | C29 | C30 | H39 | 70.0° | 60.0° |
| C28 | C29 | C30 | H40 | 51.7° | 59.9° |
| C29 | C30 | C31 | N4 | 176.9° | 180.0° |
| C29 | C30 | C31 | H39 | 119.1° | 120.0° |
| C29 | C30 | C31 | H40 | 119.2° | 120.0° |
| C30 | C29 | C28 | C33 | 53.5° | 175.0° |
| C30 | C29 | C28 | H36 | 65.2° | 55.0° |
| C30 | C29 | H37 | H38 | 115.9° | 119.9° |
| C29 | C30 | H39 | H40 | 122.4° | 119.9° |
| C29 | C30 | C31 | H41 | 56.8° | 60.0° |
| C29 | C30 | C31 | H42 | 62.9° | 60.0° |
| N4 | C31 | C30 | H41 | 120.1° | 120.0° |
| N4 | C31 | C30 | H42 | 120.1° | 120.0° |
| C31 | N4 | C32 | H18 | 180.0° | 180.0° |
| C31 | N4 | C32 | N5 | 179.4° | 0.0° |
| N4 | C31 | C30 | H39 | 57.8° | 60.0° |
| N4 | C31 | C30 | H40 | 63.9° | 60.0° |
| N4 | C31 | H41 | H42 | 119.6° | 120.1° |
| C30 | C31 | N4 | C32 | 172.9° | 180.0° |
| C30 | C31 | N4 | H18 | 7.2° | 0.0° |
| C31 | C30 | C29 | H37 | 49.6° | 60.0° |
| C31 | C30 | C29 | H38 | 67.9° | 59.9° |
| C31 | C30 | H39 | H40 | 122.4° | 120.1° |
| C30 | C31 | H41 | H42 | 119.6° | 119.9° |
| O | S | O1 | C7 | 123.7° | 123.0° |
| O | S | C7 | C8 | 61.7° | 177.6° |
| O | S | C7 | C6 | 124.6° | 2.4° |
| O3 | C27 | N3 | H11 | 179.3° | 180.0° |
| O3 | C27 | C18 | H26 | 163.4° | 120.0° |
| C32 | N4 | C31 | H41 | 52.7° | 60.0° |
| C32 | N4 | C31 | H42 | 67.0° | 60.0° |
| N4 | C32 | N5 | H43 | 0.0° | 0.0° |
| N4 | C32 | N5 | H44 | 180.0° | 180.0° |
| N4 | C32 | N6 | H45 | 179.6° | 180.0° |
| N5 | C32 | N4 | H18 | 0.6° | 180.0° |
| C32 | N5 | H43 | H44 | 180.0° | 180.0° |
| N5 | C32 | N6 | H45 | 0.0° | 0.1° |
| C11 | C2 | C3 | C8 | 3.2° | 0.6° |
| C11 | C2 | C3 | N | 175.5° | 179.7° |
| C11 | C2 | N | C | 69.8° | 63.9° |
| C11 | C2 | C3 | C4 | 173.6° | 179.7° |
| C11 | C2 | N | C1 | 76.5° | 60.0° |
| C2 | C11 | C10 | H7 | 179.4° | 180.0° |
| O1 | S | C7 | C8 | 168.0° | 49.4° |
| O1 | S | C7 | C6 | 5.7° | 130.5° |
| S | C7 | C8 | C6 | 173.4° | 180.0° |
| S | C7 | C8 | C3 | 168.1° | 179.8° |
| S | C7 | C6 | C5 | 170.2° | 180.0° |
| S | C7 | C6 | H3 | 9.7° | 0.0° |
| C28 | C33 | O5 | H6 | 179.1° | 180.0° |
| C33 | C28 | N3 | H11 | 79.2° | 95.0° |
| C33 | C28 | C29 | H37 | 174.8° | 65.0° |
| C33 | C28 | C29 | H38 | 67.7° | 55.0° |
| O5 | C33 | C28 | H36 | 7.7° | 60.0° |
| C7 | C8 | C3 | C2 | 179.9° | 179.7° |
| C7 | C8 | C3 | C4 | 3.1° | 0.5° |
| C8 | C7 | C6 | C5 | 3.6° | 0.0° |
| C8 | C7 | C6 | H3 | 176.5° | 180.0° |
| C7 | C8 | C9 | H5 | 2.1° | 0.0° |
| C8 | C3 | C2 | C4 | 176.8° | 179.1° |
| C8 | C3 | C2 | N | 172.4° | 179.7° |
| C3 | C8 | C7 | C6 | 5.3° | 0.3° |
| C8 | C3 | C4 | C5 | 0.7° | 0.5° |
| C8 | C3 | C4 | H1 | 179.3° | 179.7° |
| C3 | C8 | C9 | H5 | 179.0° | 179.8° |
| C3 | C2 | N | C | 105.6° | 116.4° |
| C3 | C2 | N | C1 | 108.1° | 119.7° |
| C2 | C3 | C4 | C5 | 176.1° | 179.7° |
| C2 | C3 | C4 | H1 | 3.9° | 0.5° |
| C3 | C2 | C11 | H8 | 178.6° | 179.7° |
| C2 | N | C | C1 | 145.8° | 123.9° |
| N | C2 | C3 | C4 | 10.8° | 0.6° |
| N | C2 | C11 | H8 | 6.1° | 0.0° |
| C2 | N | C | H19 | 180.0° | 180.0° |
| C2 | N | C | H20 | 60.0° | 60.1° |
| C2 | N | C | H21 | 60.0° | 60.0° |
| C2 | N | C1 | H22 | 180.0° | 64.0° |
| C2 | N | C1 | H23 | 60.0° | 56.1° |
| C2 | N | C1 | H24 | 60.0° | 176.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C7 | C6 | C5 | H2 | 179.5° | 180.0° |
| N | C | H19 | H20 | 120.0° | 120.0° |
| N | C | H19 | H21 | 120.0° | 120.0° |
| N | C | H20 | H21 | 120.0° | 120.1° |
| C | N | C1 | H22 | 34.3° | 60.0° |
| C | N | C1 | H23 | 85.6° | 180.0° |
| C | N | C1 | H24 | 154.4° | 60.1° |
| C3 | C4 | C5 | C6 | 2.7° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | H2 | 177.4° | 179.8° |
| C1 | N | C | H19 | 34.2° | 56.1° |
| C1 | N | C | H20 | 154.2° | 176.0° |
| C1 | N | C | H21 | 85.8° | 63.9° |
| N | C1 | H22 | H23 | 120.0° | 120.1° |
| N | C1 | H22 | H24 | 120.0° | 120.0° |
| N | C1 | H23 | H24 | 120.0° | 119.9° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 177.4° | 179.9° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| H1 | C4 | C5 | H2 | 2.6° | 0.0° |
| H2 | C5 | C6 | H3 | 0.5° | 0.0° |
| H4 | N2 | C18 | H26 | 124.4° | 145.0° |
| H5 | C9 | C10 | H7 | 0.8° | 0.1° |
| H7 | C10 | C11 | H8 | 0.6° | 0.0° |
| H9 | C12 | C13 | H12 | 15.7° | 54.8° |
| H9 | C12 | C13 | H13 | 103.7° | 174.9° |
| H10 | C12 | C13 | H12 | 135.3° | 65.6° |
| H10 | C12 | C13 | H13 | 15.9° | 54.5° |
| H11 | N3 | C28 | H36 | 162.5° | 145.0° |
| H12 | C13 | C14 | H14 | 178.3° | 61.3° |
| H12 | C13 | C14 | H15 | 62.5° | 58.7° |
| H13 | C13 | C14 | H14 | 62.3° | 178.6° |
| H13 | C13 | C14 | H15 | 57.0° | 61.4° |
| H14 | C14 | C15 | H16 | 48.8° | 61.3° |
| H14 | C14 | C15 | H17 | 168.3° | 178.6° |
| H15 | C14 | C15 | H16 | 70.5° | 58.7° |
| H15 | C14 | C15 | H17 | 49.0° | 61.4° |
| H16 | C15 | C16 | H25 | 0.1° | 54.9° |
| H17 | C15 | C16 | H25 | 119.4° | 175.1° |
| H18 | N4 | C31 | H41 | 127.3° | 120.0° |
| H18 | N4 | C31 | H42 | 112.9° | 120.0° |
| H19 | C | H20 | H21 | 120.0° | 119.9° |
| H22 | C1 | H23 | H24 | 120.0° | 120.0° |
| H26 | C18 | C19 | H27 | 67.9° | 175.0° |
| H26 | C18 | C19 | H28 | 172.9° | 65.0° |
| H27 | C19 | C20 | H29 | 177.4° | 179.9° |
| H27 | C19 | C20 | H30 | 59.5° | 60.0° |
| H28 | C19 | C20 | H29 | 63.5° | 60.0° |
| H28 | C19 | C20 | H30 | 178.6° | 180.0° |
| H31 | C22 | C23 | H32 | 0.7° | 0.1° |
| H32 | C23 | C24 | H33 | 1.1° | 0.1° |
| H33 | C24 | C25 | H34 | 0.2° | 0.1° |
| H34 | C25 | C26 | H35 | 1.1° | 0.1° |
| H36 | C28 | C29 | H37 | 56.1° | 175.0° |
| H36 | C28 | C29 | H38 | 173.6° | 65.0° |
| H37 | C29 | C30 | H39 | 168.7° | 180.0° |
| H37 | C29 | C30 | H40 | 69.6° | 60.1° |
| H38 | C29 | C30 | H39 | 51.3° | 60.1° |
| H38 | C29 | C30 | H40 | 173.0° | 180.0° |
| H39 | C30 | C31 | H41 | 62.3° | 60.0° |
| H39 | C30 | C31 | H42 | 177.9° | 180.0° |
| H40 | C30 | C31 | H41 | 176.0° | 180.0° |
| H40 | C30 | C31 | H42 | 56.2° | 60.0° |
