J1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.34Å | Aromatic |
| C17 | C12 | doub | 1.40Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | N1 | sing | 1.47Å | 1.48Å | |
| C14 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.53Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N3 | sing | 1.40Å | 1.46Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C11 | O1 | doub | 1.22Å | 1.25Å | |
| C8 | C10 | sing | 1.52Å | 1.50Å | |
| C30 | C29 | sing | 1.53Å | 1.48Å | |
| C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.49Å | |
| N3 | N4 | sing | 1.28Å | 1.33Å | Aromatic |
| N3 | C20 | sing | 1.36Å | 1.35Å | Aromatic |
| N4 | C18 | doub | 1.32Å | 1.30Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | doub | 1.35Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.42Å | 1.39Å | Aromatic |
| C18 | C22 | sing | 1.48Å | 1.48Å | |
| C27 | N5 | sing | 1.47Å | 1.52Å | |
| C22 | N5 | sing | 1.35Å | 1.34Å | |
| C22 | O2 | doub | 1.22Å | 1.23Å | |
| N5 | C23 | sing | 1.46Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C30 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H30 | sing | 1.08Å | 1.08Å | |
| C2 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | H32 | sing | 1.08Å | 1.08Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| N2 | H38 | sing | 1.01Å | 1.00Å | |
| N2 | H39 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 118.6° | 120.3° |
| C16 | C15 | C14 | 122.5° | 120.4° |
| C16 | C15 | H24 | 118.7° | 119.8° |
| C15 | C16 | H25 | 120.7° | 119.9° |
| C16 | C17 | C12 | 118.7° | 119.9° |
| C17 | C16 | H25 | 120.7° | 119.8° |
| C16 | C17 | H26 | 120.6° | 120.0° |
| C15 | C14 | C13 | 117.8° | 120.0° |
| C15 | C14 | H23 | 121.1° | 120.0° |
| C14 | C15 | H24 | 118.7° | 119.8° |
| C17 | C12 | C13 | 120.6° | 119.6° |
| C17 | C12 | C11 | 119.2° | 120.2° |
| C12 | C17 | H26 | 120.6° | 120.0° |
| C6 | C7 | N1 | 113.7° | 109.7° |
| C7 | C6 | C4 | 118.8° | 117.8° |
| C7 | C6 | C5 | 121.4° | 122.4° |
| C6 | C7 | H27 | 108.4° | 109.5° |
| C6 | C7 | H28 | 108.4° | 109.5° |
| C7 | N1 | C11 | 122.9° | 121.3° |
| C7 | N1 | C8 | 115.5° | 117.3° |
| N1 | C7 | H27 | 108.4° | 109.4° |
| N1 | C7 | H28 | 108.4° | 109.4° |
| C14 | C13 | C12 | 121.5° | 119.7° |
| C14 | C13 | N3 | 125.9° | 120.1° |
| C13 | C14 | H23 | 121.1° | 120.0° |
| C6 | C4 | C3 | 119.9° | 120.4° |
| C4 | C6 | C5 | 119.9° | 119.9° |
| C6 | C4 | H29 | 120.1° | 119.8° |
| C4 | C3 | C2 | 119.5° | 119.8° |
| C3 | C4 | H29 | 120.1° | 119.7° |
| C4 | C3 | H30 | 120.3° | 120.1° |
| C13 | C12 | C11 | 120.0° | 120.2° |
| C12 | C13 | N3 | 112.5° | 120.1° |
| C12 | C11 | N1 | 119.6° | 120.0° |
| C12 | C11 | O1 | 119.6° | 120.0° |
| N2 | C9 | C8 | 108.4° | 109.5° |
| N2 | C9 | H36 | 109.7° | 109.4° |
| N2 | C9 | H37 | 109.7° | 109.5° |
| C9 | N2 | H38 | 109.5° | 111.0° |
| C9 | N2 | H39 | 109.4° | 111.0° |
| C6 | C5 | C1 | 121.1° | 119.5° |
| C6 | C5 | C10 | 119.6° | 122.9° |
| C3 | C2 | C1 | 122.5° | 119.8° |
| C2 | C3 | H30 | 120.2° | 120.1° |
| C3 | C2 | H31 | 118.7° | 120.1° |
| C13 | N3 | N4 | 121.4° | 125.0° |
| C13 | N3 | C20 | 128.3° | 124.9° |
| C11 | N1 | C8 | 120.6° | 121.4° |
| N1 | C11 | O1 | 120.7° | 120.0° |
| N1 | C8 | C9 | 115.4° | 109.7° |
| N1 | C8 | C10 | 107.2° | 108.2° |
| N1 | C8 | H35 | 108.7° | 109.8° |
| C9 | C8 | C10 | 109.2° | 109.6° |
| C9 | C8 | H35 | 108.0° | 109.8° |
| C8 | C9 | H36 | 109.7° | 109.5° |
| C8 | C9 | H37 | 109.8° | 109.5° |
| C8 | C10 | C5 | 113.9° | 110.9° |
| C8 | C10 | H33 | 108.4° | 109.3° |
| C8 | C10 | H34 | 108.3° | 109.0° |
| C10 | C8 | H35 | 108.2° | 109.7° |
| C30 | C29 | C28 | 109.1° | 109.5° |
| C29 | C30 | H1 | 109.5° | 109.5° |
| C29 | C30 | H2 | 109.5° | 109.4° |
| C29 | C30 | H3 | 109.5° | 109.5° |
| C30 | C29 | H4 | 109.5° | 109.5° |
| C30 | C29 | H5 | 109.6° | 109.5° |
| C2 | C1 | C5 | 117.0° | 120.6° |
| C1 | C2 | H31 | 118.7° | 120.1° |
| C2 | C1 | H32 | 121.5° | 119.7° |
| C1 | C5 | C10 | 119.3° | 117.6° |
| C5 | C1 | H32 | 121.5° | 119.7° |
| C5 | C10 | H33 | 108.4° | 109.2° |
| C5 | C10 | H34 | 108.4° | 109.2° |
| N4 | N3 | C20 | 110.0° | 110.1° |
| N3 | N4 | C18 | 108.3° | 110.1° |
| N3 | C20 | C21 | 125.6° | 126.5° |
| N3 | C20 | C19 | 106.9° | 107.1° |
| N4 | C18 | C19 | 110.7° | 107.1° |
| N4 | C18 | C22 | 121.2° | 126.4° |
| C21 | C20 | C19 | 127.4° | 126.4° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.4° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C29 | C28 | C27 | 107.2° | 109.4° |
| C28 | C29 | H4 | 109.6° | 109.5° |
| C28 | C29 | H5 | 109.6° | 109.5° |
| C29 | C28 | H6 | 110.0° | 109.4° |
| C29 | C28 | H7 | 110.0° | 109.4° |
| C20 | C19 | C18 | 104.2° | 105.6° |
| C20 | C19 | H19 | 127.9° | 127.2° |
| C28 | C27 | N5 | 111.7° | 109.4° |
| C27 | C28 | H6 | 110.0° | 109.5° |
| C27 | C28 | H7 | 110.0° | 109.5° |
| C28 | C27 | H8 | 108.9° | 109.5° |
| C28 | C27 | H9 | 108.9° | 109.5° |
| C19 | C18 | C22 | 128.1° | 126.4° |
| C18 | C19 | H19 | 127.9° | 127.2° |
| C18 | C22 | N5 | 123.1° | 120.0° |
| C18 | C22 | O2 | 113.0° | 120.0° |
| C27 | N5 | C22 | 120.1° | 120.0° |
| C27 | N5 | C23 | 119.6° | 120.0° |
| N5 | C27 | H8 | 108.9° | 109.4° |
| N5 | C27 | H9 | 108.9° | 109.4° |
| N5 | C22 | O2 | 123.6° | 120.0° |
| C22 | N5 | C23 | 120.3° | 120.0° |
| N5 | C23 | C24 | 112.9° | 109.5° |
| N5 | C23 | H10 | 108.6° | 109.5° |
| N5 | C23 | H11 | 108.6° | 109.5° |
| C23 | C24 | C25 | 109.9° | 109.5° |
| C24 | C23 | H10 | 108.6° | 109.4° |
| C24 | C23 | H11 | 108.6° | 109.5° |
| C23 | C24 | H12 | 109.3° | 109.4° |
| C23 | C24 | H13 | 109.3° | 109.5° |
| C24 | C25 | C26 | 107.7° | 109.4° |
| C25 | C24 | H12 | 109.4° | 109.5° |
| C25 | C24 | H13 | 109.4° | 109.5° |
| C24 | C25 | H14 | 109.9° | 109.5° |
| C24 | C25 | H15 | 109.9° | 109.5° |
| C26 | C25 | H14 | 109.9° | 109.5° |
| C26 | C25 | H15 | 109.9° | 109.5° |
| C25 | C26 | H16 | 109.5° | 109.5° |
| C25 | C26 | H17 | 109.5° | 109.4° |
| C25 | C26 | H18 | 109.5° | 109.5° |
| H1 | C30 | H2 | 109.5° | 109.5° |
| H1 | C30 | H3 | 109.5° | 109.5° |
| H2 | C30 | H3 | 109.5° | 109.4° |
| H4 | C29 | H5 | 109.5° | 109.4° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H8 | C27 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.4° | 109.4° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.4° | 109.4° |
| H16 | C26 | H17 | 109.5° | 109.4° |
| H16 | C26 | H18 | 109.4° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.4° | 109.5° |
| H20 | C21 | H22 | 109.4° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H27 | C7 | H28 | 109.5° | 109.4° |
| H33 | C10 | H34 | 109.4° | 109.2° |
| H36 | C9 | H37 | 109.5° | 109.5° |
| H38 | N2 | H39 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H25 | 180.0° | 180.0° |
| C16 | C15 | C14 | H24 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 1.1° | 0.2° |
| C16 | C15 | C14 | C13 | 4.3° | 0.1° |
| C16 | C15 | C14 | H23 | 175.7° | 179.9° |
| C15 | C16 | C17 | H26 | 178.9° | 180.0° |
| C17 | C16 | C15 | C14 | 3.2° | 0.0° |
| C16 | C17 | C12 | H26 | 180.0° | 179.9° |
| C16 | C17 | C12 | C13 | 4.0° | 0.4° |
| C16 | C17 | C12 | C11 | 179.8° | 180.0° |
| C17 | C16 | C15 | H24 | 176.8° | 179.9° |
| C15 | C14 | C13 | H23 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 1.2° | 0.3° |
| C15 | C14 | C13 | N3 | 176.9° | 180.0° |
| C14 | C15 | C16 | H25 | 176.8° | 180.0° |
| C17 | C12 | C13 | C14 | 2.9° | 0.5° |
| C17 | C12 | C13 | C11 | 176.2° | 179.5° |
| C17 | C12 | C13 | N3 | 178.7° | 179.8° |
| C17 | C12 | C11 | N1 | 57.8° | 108.1° |
| C17 | C12 | C11 | O1 | 119.1° | 71.9° |
| C12 | C17 | C16 | H25 | 178.9° | 179.8° |
| C6 | C7 | N1 | H27 | 120.6° | 120.1° |
| C6 | C7 | N1 | H28 | 120.6° | 120.1° |
| C7 | C6 | C4 | C5 | 179.1° | 179.9° |
| C7 | C6 | C4 | C3 | 179.5° | 179.5° |
| C6 | C7 | N1 | C11 | 131.0° | 135.6° |
| C6 | C7 | N1 | C8 | 37.2° | 44.1° |
| C7 | C6 | C5 | C1 | 179.8° | 179.3° |
| C7 | C6 | C5 | C10 | 2.0° | 1.5° |
| C6 | C7 | H27 | H28 | 118.1° | 119.9° |
| C7 | C6 | C4 | H29 | 0.5° | 0.4° |
| N1 | C7 | C6 | C4 | 174.6° | 168.5° |
| C7 | N1 | C11 | C12 | 10.5° | 6.5° |
| N1 | C7 | C6 | C5 | 6.4° | 11.5° |
| C7 | N1 | C11 | C8 | 167.6° | 179.7° |
| C7 | N1 | C8 | C9 | 61.4° | 176.5° |
| C7 | N1 | C11 | O1 | 172.6° | 173.6° |
| C7 | N1 | C8 | C10 | 60.4° | 64.0° |
| N1 | C7 | H27 | H28 | 118.1° | 119.9° |
| C7 | N1 | C8 | H35 | 177.2° | 55.7° |
| C14 | C13 | C12 | N3 | 178.3° | 179.7° |
| C14 | C13 | C12 | C11 | 179.1° | 179.9° |
| C14 | C13 | N3 | N4 | 124.6° | 133.1° |
| C14 | C13 | N3 | C20 | 63.0° | 47.2° |
| C13 | C14 | C15 | H24 | 175.7° | 180.0° |
| C6 | C4 | C3 | H29 | 180.0° | 179.9° |
| C6 | C4 | C3 | C2 | 1.7° | 0.1° |
| C4 | C6 | C5 | C1 | 1.2° | 0.7° |
| C4 | C6 | C5 | C10 | 179.0° | 178.6° |
| C4 | C6 | C7 | H27 | 64.8° | 71.5° |
| C4 | C6 | C7 | H28 | 54.0° | 48.5° |
| C6 | C4 | C3 | H30 | 178.3° | 180.0° |
| C3 | C4 | C6 | C5 | 0.5° | 0.4° |
| C4 | C3 | C2 | H30 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 3.9° | 0.3° |
| C4 | C3 | C2 | H31 | 176.1° | 179.7° |
| C13 | C12 | C11 | N1 | 118.4° | 72.4° |
| C13 | C12 | C11 | O1 | 64.7° | 107.7° |
| C12 | C13 | N3 | N4 | 57.2° | 47.3° |
| C12 | C13 | N3 | C20 | 115.3° | 132.4° |
| C12 | C13 | C14 | H23 | 178.8° | 179.8° |
| C13 | C12 | C17 | H26 | 176.0° | 179.7° |
| C11 | C12 | C13 | N3 | 2.6° | 0.3° |
| C12 | C11 | N1 | O1 | 176.9° | 179.9° |
| C12 | C11 | N1 | C8 | 178.1° | 173.8° |
| C11 | C12 | C17 | H26 | 0.2° | 0.2° |
| N2 | C9 | C8 | N1 | 74.1° | 61.4° |
| N2 | C9 | C8 | H36 | 119.8° | 120.0° |
| N2 | C9 | C8 | H37 | 119.8° | 120.0° |
| N2 | C9 | C8 | C10 | 165.1° | 179.9° |
| N2 | C9 | C8 | H35 | 47.7° | 59.4° |
| N2 | C9 | H36 | H37 | 120.5° | 119.9° |
| C9 | N2 | H38 | H39 | 120.0° | 124.0° |
| C6 | C5 | C10 | C8 | 26.7° | 20.1° |
| C6 | C5 | C1 | C2 | 3.1° | 0.5° |
| C6 | C5 | C1 | C10 | 177.8° | 179.3° |
| C5 | C6 | C7 | H27 | 114.2° | 108.5° |
| C5 | C6 | C7 | H28 | 127.0° | 131.6° |
| C5 | C6 | C4 | H29 | 179.5° | 179.6° |
| C6 | C5 | C1 | H32 | 176.9° | 179.5° |
| C6 | C5 | C10 | H33 | 147.4° | 140.6° |
| C6 | C5 | C10 | H34 | 93.9° | 100.1° |
| C3 | C2 | C1 | H31 | 180.0° | 180.0° |
| C3 | C2 | C1 | C5 | 4.5° | 0.0° |
| C2 | C3 | C4 | H29 | 178.3° | 179.9° |
| C3 | C2 | C1 | H32 | 175.5° | 179.9° |
| C13 | N3 | N4 | C20 | 173.7° | 179.8° |
| C13 | N3 | N4 | C18 | 173.4° | 180.0° |
| C13 | N3 | C20 | C21 | 9.2° | 0.2° |
| C13 | N3 | C20 | C19 | 174.0° | 179.9° |
| N3 | C13 | C14 | H23 | 3.1° | 0.1° |
| C11 | N1 | C8 | C9 | 130.2° | 3.8° |
| C11 | N1 | C8 | C10 | 108.0° | 115.7° |
| C11 | N1 | C7 | H27 | 108.4° | 104.3° |
| C11 | N1 | C7 | H28 | 10.3° | 15.5° |
| C11 | N1 | C8 | H35 | 8.7° | 124.6° |
| N1 | C8 | C9 | C10 | 120.7° | 118.7° |
| N1 | C8 | C9 | H35 | 121.8° | 120.8° |
| C8 | N1 | C11 | O1 | 5.0° | 6.1° |
| N1 | C8 | C10 | H35 | 117.1° | 119.7° |
| N1 | C8 | C10 | C5 | 53.9° | 47.3° |
| C8 | N1 | C7 | H27 | 83.4° | 76.0° |
| C8 | N1 | C7 | H28 | 157.8° | 164.2° |
| N1 | C8 | C10 | H33 | 174.6° | 167.7° |
| N1 | C8 | C10 | H34 | 66.8° | 72.9° |
| N1 | C8 | C9 | H36 | 45.7° | 178.6° |
| N1 | C8 | C9 | H37 | 166.0° | 58.6° |
| C9 | C8 | C10 | H35 | 117.3° | 120.7° |
| C9 | C8 | C10 | C5 | 71.7° | 167.0° |
| C9 | C8 | C10 | H33 | 49.0° | 72.6° |
| C9 | C8 | C10 | H34 | 167.6° | 46.7° |
| C8 | C9 | H36 | H37 | 120.5° | 120.1° |
| C8 | C9 | N2 | H38 | 180.0° | 53.4° |
| C8 | C9 | N2 | H39 | 60.0° | 177.4° |
| C8 | C10 | C5 | C1 | 155.5° | 160.6° |
| C8 | C10 | C5 | H33 | 120.7° | 120.5° |
| C8 | C10 | C5 | H34 | 120.6° | 120.2° |
| C8 | C10 | H33 | H34 | 118.0° | 119.2° |
| C10 | C8 | C9 | H36 | 75.1° | 60.0° |
| C10 | C8 | C9 | H37 | 45.3° | 60.1° |
| C30 | C29 | C28 | H4 | 119.9° | 120.0° |
| C30 | C29 | C28 | H5 | 120.0° | 120.0° |
| C30 | C29 | C28 | C27 | 168.3° | 175.4° |
| C29 | C30 | H1 | H2 | 120.0° | 119.9° |
| C29 | C30 | H1 | H3 | 120.0° | 120.1° |
| C29 | C30 | H2 | H3 | 120.0° | 120.0° |
| C30 | C29 | H4 | H5 | 120.2° | 119.9° |
| C30 | C29 | C28 | H6 | 72.0° | 55.4° |
| C30 | C29 | C28 | H7 | 48.7° | 64.6° |
| C2 | C1 | C5 | H32 | 180.0° | 179.9° |
| C2 | C1 | C5 | C10 | 179.1° | 178.8° |
| C1 | C2 | C3 | H30 | 176.1° | 179.8° |
| C5 | C1 | C2 | H31 | 175.5° | 180.0° |
| C1 | C5 | C10 | H33 | 34.8° | 40.2° |
| C1 | C5 | C10 | H34 | 83.9° | 79.2° |
| C10 | C5 | C1 | H32 | 0.9° | 1.3° |
| C5 | C10 | H33 | H34 | 118.0° | 119.4° |
| C5 | C10 | C8 | H35 | 171.0° | 72.4° |
| N4 | N3 | C20 | C21 | 177.6° | 179.9° |
| N4 | N3 | C20 | C19 | 0.8° | 0.4° |
| N3 | N4 | C18 | C19 | 1.4° | 0.0° |
| N3 | N4 | C18 | C22 | 177.3° | 179.7° |
| C20 | N3 | N4 | C18 | 0.3° | 0.2° |
| N3 | C20 | C21 | C19 | 176.1° | 179.7° |
| N3 | C20 | C19 | C18 | 1.6° | 0.3° |
| N3 | C20 | C19 | H19 | 178.4° | 179.6° |
| N3 | C20 | C21 | H20 | 88.1° | 84.9° |
| N3 | C20 | C21 | H21 | 151.9° | 35.1° |
| N3 | C20 | C21 | H22 | 31.9° | 155.1° |
| N4 | C18 | C19 | C20 | 1.9° | 0.2° |
| N4 | C18 | C19 | C22 | 178.5° | 179.7° |
| N4 | C18 | C22 | N5 | 56.5° | 1.8° |
| N4 | C18 | C22 | O2 | 118.2° | 178.3° |
| N4 | C18 | C19 | H19 | 178.1° | 179.7° |
| C21 | C20 | C19 | C18 | 178.3° | 179.9° |
| C21 | C20 | C19 | H19 | 1.7° | 0.1° |
| C20 | C21 | H20 | H21 | 120.0° | 120.0° |
| C20 | C21 | H20 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C29 | C28 | C27 | H6 | 119.6° | 119.9° |
| C29 | C28 | C27 | H7 | 119.6° | 120.0° |
| C29 | C28 | C27 | N5 | 177.1° | 174.8° |
| C28 | C29 | C30 | H1 | 180.0° | 64.9° |
| C28 | C29 | C30 | H2 | 60.0° | 55.1° |
| C28 | C29 | C30 | H3 | 60.0° | 175.0° |
| C28 | C29 | H4 | H5 | 120.2° | 120.0° |
| C29 | C28 | H6 | H7 | 121.0° | 120.0° |
| C29 | C28 | C27 | H8 | 62.6° | 54.9° |
| C29 | C28 | C27 | H9 | 56.8° | 65.2° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C22 | 176.7° | 179.9° |
| C19 | C20 | C21 | H20 | 88.0° | 95.5° |
| C19 | C20 | C21 | H21 | 32.0° | 144.5° |
| C19 | C20 | C21 | H22 | 152.0° | 24.6° |
| C28 | C27 | N5 | H8 | 120.3° | 120.0° |
| C28 | C27 | N5 | H9 | 120.3° | 120.0° |
| C28 | C27 | N5 | C22 | 111.6° | 89.6° |
| C28 | C27 | N5 | C23 | 69.5° | 90.3° |
| C27 | C28 | C29 | H4 | 48.4° | 64.6° |
| C27 | C28 | C29 | H5 | 71.7° | 55.3° |
| C27 | C28 | H6 | H7 | 121.1° | 120.1° |
| C28 | C27 | H8 | H9 | 119.0° | 120.1° |
| C19 | C18 | C22 | N5 | 125.1° | 178.5° |
| C19 | C18 | C22 | O2 | 60.2° | 1.4° |
| C18 | C22 | N5 | C27 | 10.0° | 4.8° |
| C18 | C22 | N5 | O2 | 174.1° | 179.9° |
| C18 | C22 | N5 | C23 | 171.1° | 175.1° |
| C22 | C18 | C19 | H19 | 3.3° | 0.0° |
| C27 | N5 | C22 | C23 | 178.9° | 180.0° |
| C27 | N5 | C22 | O2 | 175.9° | 175.1° |
| C27 | N5 | C23 | C24 | 88.9° | 90.0° |
| N5 | C27 | C28 | H6 | 57.5° | 65.2° |
| N5 | C27 | C28 | H7 | 63.3° | 54.9° |
| N5 | C27 | H8 | H9 | 119.0° | 119.9° |
| C27 | N5 | C23 | H10 | 31.6° | 150.0° |
| C27 | N5 | C23 | H11 | 150.6° | 30.0° |
| C22 | N5 | C23 | C24 | 90.0° | 90.0° |
| C22 | N5 | C27 | H8 | 8.8° | 150.4° |
| C22 | N5 | C27 | H9 | 128.1° | 30.4° |
| C22 | N5 | C23 | H10 | 149.5° | 30.0° |
| C22 | N5 | C23 | H11 | 30.5° | 149.9° |
| O2 | C22 | N5 | C23 | 3.0° | 5.0° |
| N5 | C23 | C24 | H10 | 120.5° | 120.1° |
| N5 | C23 | C24 | H11 | 120.5° | 120.0° |
| N5 | C23 | C24 | C25 | 172.0° | 180.0° |
| C23 | N5 | C27 | H8 | 170.1° | 29.7° |
| C23 | N5 | C27 | H9 | 50.8° | 149.6° |
| N5 | C23 | H10 | H11 | 118.4° | 120.0° |
| N5 | C23 | C24 | H12 | 51.9° | 60.0° |
| N5 | C23 | C24 | H13 | 68.0° | 60.0° |
| C23 | C24 | C25 | H12 | 120.1° | 119.9° |
| C23 | C24 | C25 | H13 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 178.1° | 180.0° |
| C24 | C23 | H10 | H11 | 118.4° | 120.0° |
| C23 | C24 | H12 | H13 | 119.8° | 120.0° |
| C23 | C24 | C25 | H14 | 62.2° | 60.0° |
| C23 | C24 | C25 | H15 | 58.4° | 60.0° |
| C24 | C25 | C26 | H14 | 119.7° | 120.0° |
| C24 | C25 | C26 | H15 | 119.7° | 120.0° |
| C25 | C24 | C23 | H10 | 67.5° | 60.0° |
| C25 | C24 | C23 | H11 | 51.4° | 60.0° |
| C25 | C24 | H12 | H13 | 119.8° | 120.0° |
| C24 | C25 | H14 | H15 | 120.8° | 120.0° |
| C24 | C25 | C26 | H16 | 180.0° | 60.0° |
| C24 | C25 | C26 | H17 | 60.0° | 180.0° |
| C24 | C25 | C26 | H18 | 60.0° | 60.1° |
| C26 | C25 | C24 | H12 | 58.0° | 60.1° |
| C26 | C25 | C24 | H13 | 61.9° | 60.0° |
| C26 | C25 | H14 | H15 | 120.8° | 120.0° |
| C25 | C26 | H16 | H17 | 120.0° | 120.0° |
| C25 | C26 | H16 | H18 | 120.0° | 120.1° |
| C25 | C26 | H17 | H18 | 120.0° | 120.0° |
| H1 | C30 | H2 | H3 | 120.0° | 120.1° |
| H1 | C30 | C29 | H4 | 60.0° | 55.1° |
| H1 | C30 | C29 | H5 | 60.1° | 175.0° |
| H2 | C30 | C29 | H4 | 59.9° | 175.1° |
| H2 | C30 | C29 | H5 | 180.0° | 65.0° |
| H3 | C30 | C29 | H4 | 179.9° | 65.0° |
| H3 | C30 | C29 | H5 | 60.0° | 54.9° |
| H4 | C29 | C28 | H6 | 168.0° | 175.4° |
| H4 | C29 | C28 | H7 | 71.2° | 55.4° |
| H5 | C29 | C28 | H6 | 47.9° | 64.6° |
| H5 | C29 | C28 | H7 | 168.6° | 175.3° |
| H6 | C28 | C27 | H8 | 177.8° | 174.8° |
| H6 | C28 | C27 | H9 | 62.9° | 54.8° |
| H7 | C28 | C27 | H8 | 57.0° | 65.1° |
| H7 | C28 | C27 | H9 | 176.4° | 174.9° |
| H10 | C23 | C24 | H12 | 172.4° | 180.0° |
| H10 | C23 | C24 | H13 | 52.5° | 60.1° |
| H11 | C23 | C24 | H12 | 68.6° | 60.0° |
| H11 | C23 | C24 | H13 | 171.5° | 180.0° |
| H12 | C24 | C25 | H14 | 177.8° | 179.9° |
| H12 | C24 | C25 | H15 | 61.7° | 60.0° |
| H13 | C24 | C25 | H14 | 57.9° | 60.0° |
| H13 | C24 | C25 | H15 | 178.4° | 180.0° |
| H14 | C25 | C26 | H16 | 60.2° | 60.0° |
| H14 | C25 | C26 | H17 | 179.8° | 60.0° |
| H14 | C25 | C26 | H18 | 59.7° | 179.9° |
| H15 | C25 | C26 | H16 | 60.3° | 180.0° |
| H15 | C25 | C26 | H17 | 59.7° | 60.0° |
| H15 | C25 | C26 | H18 | 179.8° | 60.0° |
| H16 | C26 | H17 | H18 | 120.0° | 120.0° |
| H20 | C21 | H21 | H22 | 119.9° | 120.1° |
| H23 | C14 | C15 | H24 | 4.3° | 0.1° |
| H24 | C15 | C16 | H25 | 3.2° | 0.0° |
| H25 | C16 | C17 | H26 | 1.1° | 0.1° |
| H29 | C4 | C3 | H30 | 1.7° | 0.1° |
| H30 | C3 | C2 | H31 | 3.9° | 0.3° |
| H31 | C2 | C1 | H32 | 4.5° | 0.0° |
| H33 | C10 | C8 | H35 | 68.3° | 48.0° |
| H34 | C10 | C8 | H35 | 50.3° | 167.4° |
| H35 | C8 | C9 | H36 | 167.5° | 60.6° |
| H35 | C8 | C9 | H37 | 72.1° | 179.4° |
| H36 | C9 | N2 | H38 | 60.2° | 66.5° |
| H36 | C9 | N2 | H39 | 59.8° | 57.4° |
| H37 | C9 | N2 | H38 | 60.1° | 173.5° |
| H37 | C9 | N2 | H39 | 179.8° | 62.6° |
