P8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C9 | sing | 1.40Å | 1.41Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| CL | C24 | sing | 1.74Å | 1.74Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.42Å | |
| C24 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.36Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.48Å | |
| C5 | O | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| N5 | C20 | doub | 1.29Å | 1.28Å | |
| N5 | C3 | sing | 1.47Å | 1.47Å | |
| C20 | C27 | sing | 1.48Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | sing | 1.45Å | 1.45Å | Aromatic |
| C27 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C2 | N6 | sing | 1.36Å | 1.38Å | Aromatic |
| C28 | C30 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | N | sing | 1.29Å | 1.39Å | Aromatic |
| N6 | C32 | sing | 1.40Å | 1.40Å | |
| N6 | C1 | sing | 1.35Å | 1.38Å | Aromatic |
| C32 | S | sing | 1.71Å | 1.72Å | Aromatic |
| N | C1 | doub | 1.31Å | 1.31Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C30 | S | sing | 1.75Å | 1.73Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| N3 | C10 | sing | 1.35Å | 35.87Å | |
| C10 | O1 | doub | 1.21Å | 0.00Å | |
| C10 | C12 | sing | 1.51Å | 0.00Å | |
| C12 | C11 | sing | 1.53Å | 0.00Å | |
| C11 | C13 | sing | 1.53Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C15 | C16 | sing | 1.53Å | 0.00Å | |
| C16 | C17 | sing | 1.51Å | 0.00Å | |
| C17 | N4 | sing | 1.35Å | 0.00Å | |
| C17 | O2 | doub | 1.21Å | 0.00Å | |
| C12 | H7 | sing | 1.09Å | 0.00Å | |
| C12 | H24 | sing | 1.09Å | 0.00Å | |
| C11 | H25 | sing | 1.09Å | 0.00Å | |
| C11 | H26 | sing | 1.09Å | 0.00Å | |
| C13 | H27 | sing | 1.09Å | 0.00Å | |
| C13 | H28 | sing | 1.09Å | 0.00Å | |
| C14 | H29 | sing | 1.09Å | 0.00Å | |
| C14 | H30 | sing | 1.09Å | 0.00Å | |
| C15 | H31 | sing | 1.09Å | 0.00Å | |
| C15 | H32 | sing | 1.09Å | 0.00Å | |
| C16 | H33 | sing | 1.09Å | 0.00Å | |
| C16 | H34 | sing | 1.09Å | 0.00Å | |
| N4 | H35 | sing | 0.97Å | 0.00Å | |
| N4 | O3 | sing | 1.42Å | 0.00Å | |
| O3 | H36 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C9 | C8 | 120.6° | 120.0° |
| N3 | C9 | C18 | 120.2° | 120.0° |
| C9 | N3 | H6 | 135.4° | 120.0° |
| C9 | N3 | C10 | 89.1° | 120.0° |
| C8 | C9 | C18 | 119.2° | 120.0° |
| C9 | C8 | C7 | 120.4° | 120.0° |
| C9 | C8 | H4 | 119.8° | 120.0° |
| C9 | C18 | C19 | 120.4° | 120.0° |
| C9 | C18 | H23 | 119.8° | 120.0° |
| C8 | C7 | C6 | 120.4° | 120.0° |
| C8 | C7 | H3 | 119.8° | 120.1° |
| C7 | C8 | H4 | 119.8° | 120.0° |
| C18 | C19 | C6 | 120.4° | 120.0° |
| C18 | C19 | H22 | 119.8° | 119.9° |
| C19 | C18 | H23 | 119.8° | 120.0° |
| CL | C24 | C23 | 119.5° | 119.9° |
| CL | C24 | C25 | 119.2° | 119.9° |
| C7 | C6 | C19 | 119.1° | 120.0° |
| C7 | C6 | N2 | 119.1° | 120.0° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| C24 | C23 | C22 | 119.2° | 120.1° |
| C23 | C24 | C25 | 121.3° | 120.2° |
| C24 | C23 | H8 | 120.4° | 119.9° |
| C23 | C22 | C21 | 120.8° | 119.9° |
| C22 | C23 | H8 | 120.4° | 119.9° |
| C23 | C22 | H9 | 119.6° | 120.1° |
| C19 | C6 | N2 | 121.8° | 120.0° |
| C6 | C19 | H22 | 119.8° | 120.1° |
| C6 | N2 | C5 | 128.1° | 120.0° |
| C6 | N2 | H5 | 115.9° | 120.0° |
| C24 | C25 | C26 | 119.3° | 120.1° |
| C24 | C25 | H10 | 120.3° | 119.9° |
| C22 | C21 | C26 | 118.5° | 119.7° |
| C22 | C21 | C20 | 120.6° | 120.1° |
| C21 | C22 | H9 | 119.6° | 120.0° |
| N2 | C5 | O | 123.8° | 120.0° |
| N2 | C5 | C4 | 114.9° | 120.0° |
| C5 | N2 | H5 | 115.9° | 120.0° |
| C25 | C26 | C21 | 120.9° | 119.9° |
| C26 | C25 | H10 | 120.4° | 119.9° |
| C25 | C26 | H11 | 119.6° | 120.1° |
| C26 | C21 | C20 | 120.9° | 120.1° |
| C21 | C26 | H11 | 119.5° | 120.1° |
| C21 | C20 | N5 | 116.7° | 117.0° |
| C21 | C20 | C27 | 118.0° | 117.0° |
| O | C5 | C4 | 121.3° | 119.9° |
| C5 | C4 | C3 | 109.3° | 109.5° |
| C5 | C4 | H1 | 109.5° | 109.5° |
| C5 | C4 | H2 | 109.5° | 109.5° |
| C20 | N5 | C3 | 118.1° | 122.4° |
| N5 | C20 | C27 | 125.2° | 126.0° |
| N5 | C3 | C4 | 109.4° | 109.5° |
| N5 | C3 | C2 | 108.6° | 109.1° |
| N5 | C3 | H21 | 109.8° | 109.5° |
| C20 | C27 | C28 | 126.3° | 123.5° |
| C20 | C27 | C32 | 121.8° | 124.7° |
| C4 | C3 | C2 | 110.9° | 109.5° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C4 | C3 | H21 | 108.9° | 109.6° |
| C3 | C2 | N1 | 129.7° | 127.8° |
| C3 | C2 | N6 | 120.7° | 125.1° |
| C2 | C3 | H21 | 109.2° | 109.5° |
| C29 | C28 | C27 | 125.1° | 123.0° |
| C29 | C28 | C30 | 122.4° | 123.1° |
| C28 | C29 | H15 | 109.5° | 109.5° |
| C28 | C29 | H16 | 109.4° | 109.4° |
| C28 | C29 | H17 | 109.5° | 109.5° |
| C28 | C27 | C32 | 111.8° | 111.7° |
| C27 | C28 | C30 | 112.3° | 113.9° |
| C27 | C32 | N6 | 125.2° | 124.1° |
| C27 | C32 | S | 112.0° | 111.0° |
| N1 | C2 | N6 | 109.5° | 107.1° |
| C2 | N1 | N | 107.6° | 109.7° |
| C2 | N6 | C32 | 122.8° | 124.5° |
| C2 | N6 | C1 | 105.3° | 106.5° |
| C28 | C30 | C31 | 128.9° | 124.7° |
| C28 | C30 | S | 112.2° | 110.7° |
| N1 | N | C1 | 108.1° | 109.9° |
| C32 | N6 | C1 | 132.0° | 129.0° |
| N6 | C32 | S | 122.7° | 124.9° |
| N6 | C1 | N | 109.5° | 106.8° |
| N6 | C1 | C | 125.0° | 126.6° |
| C32 | S | C30 | 91.6° | 92.6° |
| N | C1 | C | 125.6° | 126.6° |
| C31 | C30 | S | 118.9° | 124.6° |
| C30 | C31 | H12 | 109.5° | 109.5° |
| C30 | C31 | H13 | 109.4° | 109.5° |
| C30 | C31 | H14 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.4° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H6 | N3 | C10 | 135.4° | 120.0° |
| H12 | C31 | H13 | 109.5° | 109.4° |
| H12 | C31 | H14 | 109.4° | 109.5° |
| H13 | C31 | H14 | 109.5° | 109.4° |
| H15 | C29 | H16 | 109.5° | 109.4° |
| H15 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.5° | 109.4° |
| H19 | C | H20 | 109.5° | 109.5° |
| N3 | C10 | O1 | 90.0° | 120.0° |
| N3 | C10 | C12 | 90.0° | 120.0° |
| O1 | C10 | C12 | 90.0° | 120.0° |
| C10 | C12 | C11 | 90.0° | 109.5° |
| C10 | C12 | H7 | 90.0° | 109.4° |
| C10 | C12 | H24 | 90.0° | 109.5° |
| C12 | C11 | C13 | 90.0° | 109.5° |
| C11 | C12 | H7 | 90.0° | 109.5° |
| C11 | C12 | H24 | 90.0° | 109.5° |
| C12 | C11 | H25 | 90.0° | 109.5° |
| C12 | C11 | H26 | 90.0° | 109.5° |
| C11 | C13 | C14 | 90.0° | 109.4° |
| C13 | C11 | H25 | 90.0° | 109.4° |
| C13 | C11 | H26 | 90.0° | 109.5° |
| C11 | C13 | H27 | 90.0° | 109.4° |
| C11 | C13 | H28 | 90.0° | 109.4° |
| C13 | C14 | C15 | 90.0° | 109.4° |
| C14 | C13 | H27 | 90.0° | 109.5° |
| C14 | C13 | H28 | 90.0° | 109.5° |
| C13 | C14 | H29 | 90.0° | 109.5° |
| C13 | C14 | H30 | 90.0° | 109.5° |
| C14 | C15 | C16 | 90.0° | 109.4° |
| C15 | C14 | H29 | 90.0° | 109.4° |
| C15 | C14 | H30 | 90.0° | 109.5° |
| C14 | C15 | H31 | 90.0° | 109.4° |
| C14 | C15 | H32 | 90.0° | 109.5° |
| C15 | C16 | C17 | 90.0° | 109.4° |
| C16 | C15 | H31 | 90.0° | 109.5° |
| C16 | C15 | H32 | 90.0° | 109.5° |
| C15 | C16 | H33 | 90.0° | 109.5° |
| C15 | C16 | H34 | 90.0° | 109.5° |
| C16 | C17 | N4 | 90.0° | 120.0° |
| C16 | C17 | O2 | 90.0° | 120.0° |
| C17 | C16 | H33 | 90.0° | 109.5° |
| C17 | C16 | H34 | 90.0° | 109.4° |
| N4 | C17 | O2 | 90.0° | 120.0° |
| C17 | N4 | H35 | 90.0° | 120.0° |
| C17 | N4 | O3 | 90.0° | 120.0° |
| H7 | C12 | H24 | 90.0° | 109.5° |
| H25 | C11 | H26 | 90.0° | 109.5° |
| H27 | C13 | H28 | 90.0° | 109.5° |
| H29 | C14 | H30 | 90.0° | 109.5° |
| H31 | C15 | H32 | 90.0° | 109.5° |
| H33 | C16 | H34 | 90.0° | 109.5° |
| H35 | N4 | O3 | 90.0° | 120.0° |
| N4 | O3 | H36 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C9 | C8 | C18 | 179.9° | 180.0° |
| N3 | C9 | C8 | C7 | 179.9° | 180.0° |
| N3 | C9 | C18 | C19 | 180.0° | 179.7° |
| N3 | C9 | C8 | H4 | 0.1° | 0.0° |
| C9 | N3 | H6 | C10 | 180.0° | 180.0° |
| N3 | C9 | C18 | H23 | 0.0° | 0.0° |
| C9 | N3 | C10 | O1 | 90.0° | 5.1° |
| C9 | N3 | C10 | C12 | 90.0° | 174.9° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C8 | C9 | C18 | C19 | 0.1° | 0.3° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C9 | C8 | C7 | H3 | 179.8° | 180.0° |
| C8 | C9 | N3 | H6 | 16.1° | 33.3° |
| C8 | C9 | C18 | H23 | 179.9° | 180.0° |
| C8 | C9 | N3 | C10 | 163.9° | 146.8° |
| C18 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C18 | C19 | H23 | 180.0° | 179.7° |
| C9 | C18 | C19 | C6 | 0.0° | 0.5° |
| C18 | C9 | C8 | H4 | 180.0° | 180.0° |
| C18 | C9 | N3 | H6 | 163.8° | 146.8° |
| C9 | C18 | C19 | H22 | 180.0° | 179.7° |
| C18 | C9 | N3 | C10 | 16.2° | 33.2° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | C19 | 0.3° | 0.3° |
| C8 | C7 | C6 | N2 | 178.1° | 180.0° |
| C18 | C19 | C6 | C7 | 0.2° | 0.5° |
| C18 | C19 | C6 | H22 | 180.0° | 179.8° |
| C18 | C19 | C6 | N2 | 178.2° | 179.8° |
| CL | C24 | C23 | C25 | 179.9° | 179.8° |
| CL | C24 | C23 | C22 | 179.8° | 180.0° |
| CL | C24 | C25 | C26 | 179.9° | 180.0° |
| CL | C24 | C23 | H8 | 0.2° | 0.0° |
| CL | C24 | C25 | H10 | 0.1° | 0.0° |
| C7 | C6 | C19 | N2 | 178.4° | 179.7° |
| C7 | C6 | N2 | C5 | 176.6° | 33.2° |
| C6 | C7 | C8 | H4 | 179.8° | 180.0° |
| C7 | C6 | N2 | H5 | 3.4° | 146.8° |
| C7 | C6 | C19 | H22 | 179.8° | 179.7° |
| C24 | C23 | C22 | H8 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.2° |
| C24 | C23 | C22 | H9 | 179.9° | 180.0° |
| C23 | C24 | C25 | H10 | 179.8° | 179.7° |
| C22 | C23 | C24 | C25 | 0.3° | 0.2° |
| C23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 0.1° | 0.2° |
| C23 | C22 | C21 | C20 | 178.2° | 180.0° |
| C19 | C6 | N2 | C5 | 1.8° | 147.0° |
| C19 | C6 | C7 | H3 | 179.7° | 179.7° |
| C19 | C6 | N2 | H5 | 178.2° | 33.0° |
| C6 | C19 | C18 | H23 | 180.0° | 179.8° |
| C6 | N2 | C5 | H5 | 180.0° | 180.0° |
| C6 | N2 | C5 | O | 0.4° | 5.1° |
| C6 | N2 | C5 | C4 | 178.9° | 174.9° |
| N2 | C6 | C7 | H3 | 1.8° | 0.0° |
| N2 | C6 | C19 | H22 | 1.8° | 0.0° |
| C24 | C25 | C26 | H10 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.0° | 0.0° |
| C25 | C24 | C23 | H8 | 179.7° | 179.8° |
| C24 | C25 | C26 | H11 | 180.0° | 180.0° |
| C22 | C21 | C26 | C25 | 0.1° | 0.2° |
| C22 | C21 | C26 | C20 | 178.3° | 179.8° |
| C22 | C21 | C20 | N5 | 27.6° | 147.6° |
| C22 | C21 | C20 | C27 | 155.4° | 32.3° |
| C21 | C22 | C23 | H8 | 179.9° | 180.0° |
| C22 | C21 | C26 | H11 | 179.9° | 179.7° |
| N2 | C5 | O | C4 | 179.3° | 180.0° |
| N2 | C5 | C4 | C3 | 148.1° | 180.0° |
| N2 | C5 | C4 | H1 | 91.9° | 60.0° |
| N2 | C5 | C4 | H2 | 28.2° | 60.0° |
| C25 | C26 | C21 | H11 | 180.0° | 180.0° |
| C25 | C26 | C21 | C20 | 178.1° | 180.0° |
| C26 | C21 | C20 | N5 | 150.6° | 32.2° |
| C26 | C21 | C20 | C27 | 26.4° | 147.9° |
| C26 | C21 | C22 | H9 | 179.9° | 179.8° |
| C21 | C26 | C25 | H10 | 180.0° | 180.0° |
| C21 | C20 | N5 | C27 | 176.7° | 179.9° |
| C21 | C20 | N5 | C3 | 179.6° | 175.4° |
| C21 | C20 | C27 | C28 | 44.6° | 37.4° |
| C21 | C20 | C27 | C32 | 132.2° | 142.2° |
| C20 | C21 | C22 | H9 | 1.9° | 0.0° |
| C20 | C21 | C26 | H11 | 1.9° | 0.1° |
| O | C5 | C4 | C3 | 31.2° | 0.0° |
| O | C5 | C4 | H1 | 88.8° | 120.0° |
| O | C5 | C4 | H2 | 151.2° | 120.0° |
| O | C5 | N2 | H5 | 179.6° | 174.9° |
| C5 | C4 | C3 | N5 | 57.4° | 65.0° |
| C5 | C4 | C3 | H1 | 120.0° | 120.0° |
| C5 | C4 | C3 | H2 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 177.2° | 175.4° |
| C5 | C4 | H1 | H2 | 120.1° | 120.0° |
| C4 | C5 | N2 | H5 | 1.1° | 5.1° |
| C5 | C4 | C3 | H21 | 62.6° | 55.2° |
| C20 | N5 | C3 | C4 | 168.1° | 57.5° |
| C20 | N5 | C3 | C2 | 70.7° | 62.4° |
| N5 | C20 | C27 | C28 | 138.7° | 142.7° |
| N5 | C20 | C27 | C32 | 44.5° | 37.7° |
| C20 | N5 | C3 | H21 | 48.6° | 177.7° |
| C3 | N5 | C20 | C27 | 3.7° | 4.7° |
| N5 | C3 | C4 | C2 | 119.8° | 119.7° |
| N5 | C3 | C4 | H21 | 120.0° | 120.2° |
| N5 | C3 | C2 | H21 | 119.7° | 119.9° |
| N5 | C3 | C2 | N1 | 111.4° | 119.9° |
| N5 | C3 | C2 | N6 | 65.3° | 59.6° |
| N5 | C3 | C4 | H1 | 177.4° | 175.0° |
| N5 | C3 | C4 | H2 | 62.6° | 55.0° |
| C20 | C27 | C28 | C29 | 9.7° | 1.7° |
| C20 | C27 | C28 | C32 | 177.1° | 179.7° |
| C20 | C27 | C28 | C30 | 174.7° | 178.2° |
| C20 | C27 | C32 | N6 | 6.8° | 3.9° |
| C20 | C27 | C32 | S | 175.4° | 177.8° |
| C4 | C3 | C2 | H21 | 120.0° | 120.2° |
| C4 | C3 | C2 | N1 | 8.9° | 120.1° |
| C4 | C3 | C2 | N6 | 174.4° | 60.3° |
| C3 | C4 | H1 | H2 | 120.1° | 120.0° |
| C3 | C2 | N1 | N6 | 177.0° | 179.6° |
| C3 | C2 | N1 | N | 176.3° | 179.2° |
| C3 | C2 | N6 | C32 | 4.4° | 1.2° |
| C3 | C2 | N6 | C1 | 176.5° | 179.1° |
| C2 | C3 | C4 | H1 | 62.8° | 55.4° |
| C2 | C3 | C4 | H2 | 57.2° | 64.7° |
| C29 | C28 | C27 | C30 | 175.7° | 180.0° |
| C29 | C28 | C27 | C32 | 173.3° | 178.6° |
| C29 | C28 | C30 | C31 | 7.2° | 0.2° |
| C29 | C28 | C30 | S | 173.9° | 179.8° |
| C28 | C29 | H15 | H16 | 120.0° | 120.0° |
| C28 | C29 | H15 | H17 | 120.0° | 120.1° |
| C28 | C29 | H16 | H17 | 120.0° | 120.0° |
| C28 | C27 | C32 | N6 | 176.0° | 176.5° |
| C28 | C27 | C32 | S | 1.8° | 1.9° |
| C27 | C28 | C30 | C31 | 177.0° | 179.7° |
| C27 | C28 | C30 | S | 1.9° | 0.3° |
| C27 | C28 | C29 | H15 | 87.5° | 94.7° |
| C27 | C28 | C29 | H16 | 152.5° | 145.3° |
| C27 | C28 | C29 | H17 | 32.5° | 25.4° |
| C27 | C32 | N6 | C2 | 37.2° | 33.7° |
| C32 | C27 | C28 | C30 | 2.4° | 1.4° |
| C27 | C32 | N6 | S | 177.6° | 178.2° |
| C27 | C32 | N6 | C1 | 144.0° | 146.6° |
| C27 | C32 | S | C30 | 0.6° | 1.5° |
| N1 | C2 | N6 | C32 | 178.3° | 179.2° |
| N1 | C2 | N6 | C1 | 0.8° | 0.6° |
| C2 | N1 | N | C1 | 0.4° | 0.2° |
| N1 | C2 | C3 | H21 | 128.8° | 0.1° |
| N6 | C2 | N1 | N | 0.7° | 0.5° |
| C2 | N6 | C32 | C1 | 178.8° | 179.7° |
| C2 | N6 | C32 | S | 140.3° | 144.5° |
| C2 | N6 | C1 | N | 0.6° | 0.5° |
| C2 | N6 | C1 | C | 178.6° | 179.5° |
| N6 | C2 | C3 | H21 | 54.4° | 179.5° |
| C28 | C30 | S | C32 | 0.8° | 0.7° |
| C28 | C30 | C31 | S | 178.9° | 180.0° |
| C28 | C30 | C31 | H12 | 178.9° | 180.0° |
| C28 | C30 | C31 | H13 | 58.9° | 60.0° |
| C28 | C30 | C31 | H14 | 61.1° | 60.0° |
| C30 | C28 | C29 | H15 | 87.7° | 85.3° |
| C30 | C28 | C29 | H16 | 32.3° | 34.7° |
| C30 | C28 | C29 | H17 | 152.3° | 154.7° |
| N1 | N | C1 | N6 | 0.2° | 0.2° |
| N1 | N | C1 | C | 179.0° | 179.8° |
| C32 | N6 | C1 | N | 178.4° | 179.3° |
| N6 | C32 | S | C30 | 177.2° | 176.9° |
| C32 | N6 | C1 | C | 2.5° | 0.7° |
| C1 | N6 | C32 | S | 38.5° | 35.3° |
| N6 | C1 | N | C | 179.2° | 180.0° |
| N6 | C1 | C | H18 | 179.0° | 90.0° |
| N6 | C1 | C | H19 | 59.0° | 150.0° |
| N6 | C1 | C | H20 | 61.0° | 30.0° |
| C32 | S | C30 | C31 | 178.3° | 179.3° |
| N | C1 | C | H18 | 0.0° | 90.0° |
| N | C1 | C | H19 | 120.0° | 30.0° |
| N | C1 | C | H20 | 120.0° | 150.0° |
| C30 | C31 | H12 | H13 | 120.0° | 120.0° |
| C30 | C31 | H12 | H14 | 120.0° | 120.1° |
| C30 | C31 | H13 | H14 | 120.0° | 120.0° |
| S | C30 | C31 | H12 | 0.0° | 0.0° |
| S | C30 | C31 | H13 | 120.0° | 120.0° |
| S | C30 | C31 | H14 | 120.0° | 120.1° |
| C1 | C | H18 | H19 | 120.0° | 120.0° |
| C1 | C | H18 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| H1 | C4 | C3 | H21 | 57.3° | 64.8° |
| H2 | C4 | C3 | H21 | 177.4° | 175.1° |
| H3 | C7 | C8 | H4 | 0.1° | 0.1° |
| H6 | N3 | C10 | O1 | 90.0° | 174.9° |
| H6 | N3 | C10 | C12 | 90.0° | 5.1° |
| H8 | C23 | C22 | H9 | 0.1° | 0.0° |
| H10 | C25 | C26 | H11 | 0.0° | 0.0° |
| H12 | C31 | H13 | H14 | 120.0° | 120.0° |
| H15 | C29 | H16 | H17 | 120.0° | 120.0° |
| H18 | C | H19 | H20 | 120.0° | 119.9° |
| H22 | C19 | C18 | H23 | 0.0° | 0.0° |
| N3 | C10 | O1 | C12 | 90.0° | 180.0° |
| N3 | C10 | C12 | C11 | 90.0° | 180.0° |
| N3 | C10 | C12 | H7 | 90.0° | 60.0° |
| N3 | C10 | C12 | H24 | 90.0° | 60.0° |
| O1 | C10 | C12 | C11 | 90.0° | 0.0° |
| O1 | C10 | C12 | H7 | 90.0° | 120.0° |
| O1 | C10 | C12 | H24 | 90.0° | 120.0° |
| C10 | C12 | C11 | H7 | 90.0° | 119.9° |
| C10 | C12 | C11 | H24 | 90.0° | 120.0° |
| C10 | C12 | C11 | C13 | 90.0° | 180.0° |
| C10 | C12 | H7 | H24 | 90.0° | 120.0° |
| C10 | C12 | C11 | H25 | 90.0° | 60.1° |
| C10 | C12 | C11 | H26 | 90.0° | 60.0° |
| C12 | C11 | C13 | H25 | 90.0° | 120.0° |
| C12 | C11 | C13 | H26 | 90.0° | 120.0° |
| C12 | C11 | C13 | C14 | 90.0° | 180.0° |
| C11 | C12 | H7 | H24 | 90.0° | 120.1° |
| C12 | C11 | H25 | H26 | 90.0° | 120.1° |
| C12 | C11 | C13 | H27 | 90.0° | 60.0° |
| C12 | C11 | C13 | H28 | 90.0° | 60.0° |
| C11 | C13 | C14 | H27 | 90.0° | 120.0° |
| C11 | C13 | C14 | H28 | 90.0° | 119.9° |
| C11 | C13 | C14 | C15 | 90.0° | 180.0° |
| C13 | C11 | C12 | H7 | 90.0° | 60.0° |
| C13 | C11 | C12 | H24 | 90.0° | 60.0° |
| C13 | C11 | H25 | H26 | 90.0° | 120.0° |
| C11 | C13 | H27 | H28 | 90.0° | 120.0° |
| C11 | C13 | C14 | H29 | 90.0° | 60.0° |
| C11 | C13 | C14 | H30 | 90.0° | 60.0° |
| C13 | C14 | C15 | H29 | 90.0° | 120.0° |
| C13 | C14 | C15 | H30 | 90.0° | 120.0° |
| C13 | C14 | C15 | C16 | 90.0° | 180.0° |
| C14 | C13 | C11 | H25 | 90.0° | 60.0° |
| C14 | C13 | C11 | H26 | 90.0° | 60.0° |
| C14 | C13 | H27 | H28 | 90.0° | 120.0° |
| C13 | C14 | H29 | H30 | 90.0° | 120.1° |
| C13 | C14 | C15 | H31 | 90.0° | 60.0° |
| C13 | C14 | C15 | H32 | 90.0° | 60.0° |
| C14 | C15 | C16 | H31 | 90.0° | 120.0° |
| C14 | C15 | C16 | H32 | 90.0° | 120.0° |
| C14 | C15 | C16 | C17 | 90.0° | 180.0° |
| C15 | C14 | C13 | H27 | 90.0° | 60.0° |
| C15 | C14 | C13 | H28 | 90.0° | 60.1° |
| C15 | C14 | H29 | H30 | 90.0° | 120.0° |
| C14 | C15 | H31 | H32 | 90.0° | 120.0° |
| C14 | C15 | C16 | H33 | 90.0° | 60.0° |
| C14 | C15 | C16 | H34 | 90.0° | 60.1° |
| C15 | C16 | C17 | H33 | 90.0° | 120.0° |
| C15 | C16 | C17 | H34 | 90.0° | 119.9° |
| C15 | C16 | C17 | N4 | 90.0° | 180.0° |
| C15 | C16 | C17 | O2 | 90.0° | 0.0° |
| C16 | C15 | C14 | H29 | 90.0° | 60.0° |
| C16 | C15 | C14 | H30 | 90.0° | 60.0° |
| C16 | C15 | H31 | H32 | 90.0° | 120.1° |
| C15 | C16 | H33 | H34 | 90.0° | 120.0° |
| C16 | C17 | N4 | O2 | 90.0° | 180.0° |
| C17 | C16 | C15 | H31 | 90.0° | 60.0° |
| C17 | C16 | C15 | H32 | 90.0° | 60.0° |
| C17 | C16 | H33 | H34 | 90.0° | 120.0° |
| C16 | C17 | N4 | H35 | 90.0° | 0.0° |
| C16 | C17 | N4 | O3 | 90.0° | 180.0° |
| N4 | C17 | C16 | H33 | 90.0° | 60.0° |
| N4 | C17 | C16 | H34 | 90.0° | 60.1° |
| C17 | N4 | H35 | O3 | 90.0° | 180.0° |
| C17 | N4 | O3 | H36 | 90.0° | 180.0° |
| O2 | C17 | C16 | H33 | 90.0° | 120.0° |
| O2 | C17 | C16 | H34 | 90.0° | 120.0° |
| O2 | C17 | N4 | H35 | 90.0° | 180.0° |
| O2 | C17 | N4 | O3 | 90.0° | 0.0° |
| H7 | C12 | C11 | H25 | 90.0° | 180.0° |
| H7 | C12 | C11 | H26 | 90.0° | 60.0° |
| H24 | C12 | C11 | H25 | 90.0° | 60.0° |
| H24 | C12 | C11 | H26 | 90.0° | 180.0° |
| H25 | C11 | C13 | H27 | 90.0° | 180.0° |
| H25 | C11 | C13 | H28 | 90.0° | 59.9° |
| H26 | C11 | C13 | H27 | 90.0° | 60.0° |
| H26 | C11 | C13 | H28 | 90.0° | 179.9° |
| H27 | C13 | C14 | H29 | 90.0° | 180.0° |
| H27 | C13 | C14 | H30 | 90.0° | 59.9° |
| H28 | C13 | C14 | H29 | 90.0° | 59.9° |
| H28 | C13 | C14 | H30 | 90.0° | 180.0° |
| H29 | C14 | C15 | H31 | 90.0° | 180.0° |
| H29 | C14 | C15 | H32 | 90.0° | 60.0° |
| H30 | C14 | C15 | H31 | 90.0° | 60.0° |
| H30 | C14 | C15 | H32 | 90.0° | 180.0° |
| H31 | C15 | C16 | H33 | 90.0° | 180.0° |
| H31 | C15 | C16 | H34 | 90.0° | 59.9° |
| H32 | C15 | C16 | H33 | 90.0° | 59.9° |
| H32 | C15 | C16 | H34 | 90.0° | 180.0° |
| H35 | N4 | O3 | H36 | 90.0° | 0.0° |
