3E5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| O1 | C13 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | C7 | sing | 1.53Å | 1.53Å | |
| C12 | O2 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | C14 | sing | 1.40Å | 1.36Å | |
| C20 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | doub | 1.39Å | 1.50Å | Aromatic |
| C7 | N1 | sing | 1.47Å | 1.44Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| C6 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | C1 | sing | 1.51Å | 1.49Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C | C22 | sing | 1.51Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C27 | sing | 1.35Å | 1.34Å | |
| O5 | C27 | doub | 1.22Å | 1.22Å | |
| C27 | O4 | sing | 1.35Å | 1.46Å | |
| O4 | C28 | sing | 1.45Å | 1.43Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C34 | H3 | sing | 1.08Å | 1.08Å | |
| C33 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.08Å | 1.08Å | |
| C31 | H6 | sing | 1.08Å | 1.08Å | |
| C30 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C22 | 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 | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| N | H19 | sing | 0.97Å | 1.00Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| N1 | H30 | sing | 0.97Å | 1.00Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| O2 | H42 | sing | 0.97Å | 0.95Å | |
| N2 | H43 | sing | 0.97Å | 1.00Å | |
| C21 | H44 | sing | 1.08Å | 1.08Å | |
| C20 | H45 | sing | 1.08Å | 1.08Å | |
| C19 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C17 | H49 | sing | 1.08Å | 1.08Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 110.3° | 109.5° |
| C10 | C9 | C11 | 110.9° | 109.5° |
| C10 | C9 | H34 | 107.6° | 109.5° |
| C9 | C10 | H38 | 109.5° | 109.5° |
| C9 | C10 | H39 | 109.5° | 109.5° |
| C9 | C10 | H40 | 109.5° | 109.5° |
| O1 | C13 | C12 | 121.5° | 120.0° |
| O1 | C13 | N2 | 126.5° | 120.0° |
| C9 | C8 | C7 | 112.8° | 109.5° |
| C8 | C9 | C11 | 112.8° | 109.4° |
| C9 | C8 | H32 | 108.6° | 109.5° |
| C9 | C8 | H33 | 108.6° | 109.4° |
| C8 | C9 | H34 | 107.5° | 109.5° |
| C8 | C7 | C12 | 117.4° | 109.5° |
| C8 | C7 | N1 | 110.3° | 109.5° |
| C8 | C7 | H31 | 106.8° | 109.5° |
| C7 | C8 | H32 | 108.6° | 109.5° |
| C7 | C8 | H33 | 108.6° | 109.5° |
| C12 | C13 | N2 | 111.9° | 120.0° |
| C13 | C12 | C7 | 115.9° | 109.5° |
| C13 | C12 | O2 | 109.2° | 109.5° |
| C13 | C12 | H41 | 107.4° | 109.5° |
| C13 | N2 | C14 | 127.9° | 120.0° |
| C13 | N2 | H43 | 116.1° | 120.0° |
| C7 | C12 | O2 | 108.4° | 109.5° |
| C12 | C7 | N1 | 107.1° | 109.4° |
| C12 | C7 | H31 | 106.9° | 109.4° |
| C7 | C12 | H41 | 107.2° | 109.4° |
| O2 | C12 | H41 | 108.4° | 109.5° |
| C12 | O2 | H42 | 109.5° | 114.0° |
| C20 | C21 | C14 | 120.4° | 119.9° |
| C21 | C20 | C18 | 121.3° | 120.0° |
| C20 | C21 | H44 | 119.8° | 120.0° |
| C21 | C20 | H45 | 119.3° | 120.0° |
| C21 | C14 | N2 | 124.8° | 120.1° |
| C21 | C14 | C15 | 117.7° | 119.9° |
| C14 | C21 | H44 | 119.8° | 120.0° |
| N2 | C14 | C15 | 117.4° | 120.0° |
| C14 | N2 | H43 | 116.0° | 120.0° |
| C20 | C18 | C19 | 120.1° | 119.9° |
| C20 | C18 | C17 | 120.5° | 120.1° |
| C18 | C20 | H45 | 119.3° | 119.9° |
| C11 | C9 | H34 | 107.5° | 109.4° |
| C9 | C11 | H35 | 109.5° | 109.5° |
| C9 | C11 | H36 | 109.5° | 109.5° |
| C9 | C11 | H37 | 109.5° | 109.5° |
| C14 | C15 | C17 | 119.4° | 119.9° |
| C14 | C15 | C16 | 122.9° | 120.1° |
| C7 | N1 | C6 | 120.8° | 119.9° |
| C7 | N1 | H30 | 119.6° | 120.1° |
| N1 | C7 | H31 | 108.0° | 109.5° |
| C19 | C18 | C17 | 119.4° | 119.9° |
| C18 | C19 | H46 | 109.5° | 109.5° |
| C18 | C19 | H47 | 109.5° | 109.5° |
| C18 | C19 | H48 | 109.5° | 109.4° |
| C18 | C17 | C15 | 120.6° | 120.1° |
| C18 | C17 | H49 | 119.7° | 120.0° |
| C17 | C15 | C16 | 117.7° | 120.0° |
| C15 | C17 | H49 | 119.7° | 120.0° |
| C15 | C16 | H50 | 109.5° | 109.5° |
| C15 | C16 | H51 | 109.5° | 109.5° |
| C15 | C16 | H52 | 109.5° | 109.5° |
| N1 | C6 | O3 | 124.3° | 120.0° |
| N1 | C6 | C1 | 115.5° | 120.0° |
| C6 | N1 | H30 | 119.6° | 120.0° |
| O3 | C6 | C1 | 120.2° | 120.0° |
| C6 | C1 | C2 | 108.3° | 109.4° |
| C6 | C1 | N | 110.1° | 109.5° |
| C6 | C1 | H20 | 108.8° | 109.5° |
| C5 | C3 | C2 | 110.7° | 109.4° |
| C5 | C3 | C4 | 112.3° | 109.5° |
| C5 | C3 | H23 | 107.5° | 109.4° |
| C3 | C5 | H24 | 109.5° | 109.5° |
| C3 | C5 | H25 | 109.5° | 109.5° |
| C3 | C5 | H26 | 109.5° | 109.5° |
| C2 | C1 | N | 111.7° | 109.5° |
| C1 | C2 | C3 | 111.7° | 109.4° |
| C2 | C1 | H20 | 108.4° | 109.5° |
| C1 | C2 | H21 | 108.9° | 109.4° |
| C1 | C2 | H22 | 108.9° | 109.4° |
| C1 | N | C | 121.9° | 120.0° |
| C1 | N | H19 | 119.1° | 120.1° |
| N | C1 | H20 | 109.4° | 109.5° |
| C2 | C3 | C4 | 111.3° | 109.5° |
| C3 | C2 | H21 | 108.9° | 109.5° |
| C3 | C2 | H22 | 108.9° | 109.5° |
| C2 | C3 | H23 | 107.4° | 109.5° |
| C4 | C3 | H23 | 107.4° | 109.5° |
| C3 | C4 | H27 | 109.5° | 109.5° |
| C3 | C4 | H28 | 109.4° | 109.5° |
| C3 | C4 | H29 | 109.5° | 109.5° |
| N | C | O | 123.5° | 120.0° |
| N | C | C22 | 116.8° | 120.0° |
| C | N | H19 | 119.0° | 120.0° |
| O | C | C22 | 119.6° | 120.0° |
| C | C22 | C23 | 107.6° | 109.5° |
| C | C22 | N3 | 111.1° | 109.5° |
| C | C22 | H9 | 109.1° | 109.5° |
| C25 | C24 | C23 | 109.8° | 109.5° |
| C25 | C24 | C26 | 112.3° | 109.5° |
| C25 | C24 | H12 | 107.6° | 109.5° |
| C24 | C25 | H16 | 109.5° | 109.5° |
| C24 | C25 | H17 | 109.4° | 109.5° |
| C24 | C25 | H18 | 109.5° | 109.4° |
| C23 | C24 | C26 | 111.8° | 109.4° |
| C24 | C23 | C22 | 113.8° | 109.4° |
| C24 | C23 | H10 | 108.4° | 109.5° |
| C24 | C23 | H11 | 108.4° | 109.5° |
| C23 | C24 | H12 | 107.6° | 109.5° |
| C26 | C24 | H12 | 107.6° | 109.4° |
| C24 | C26 | H13 | 109.5° | 109.5° |
| C24 | C26 | H14 | 109.5° | 109.5° |
| C24 | C26 | H15 | 109.5° | 109.4° |
| C23 | C22 | N3 | 110.6° | 109.4° |
| C23 | C22 | H9 | 108.7° | 109.5° |
| C22 | C23 | H10 | 108.4° | 109.4° |
| C22 | C23 | H11 | 108.4° | 109.5° |
| C22 | N3 | C27 | 122.9° | 120.0° |
| C22 | N3 | H8 | 118.6° | 120.0° |
| N3 | C22 | H9 | 109.7° | 109.5° |
| N3 | C27 | O5 | 123.9° | 120.0° |
| N3 | C27 | O4 | 118.7° | 120.0° |
| C27 | N3 | H8 | 118.5° | 120.0° |
| O5 | C27 | O4 | 117.3° | 120.0° |
| C27 | O4 | C28 | 122.6° | 117.0° |
| O4 | C28 | C29 | 108.6° | 109.5° |
| O4 | C28 | H1 | 109.7° | 109.4° |
| O4 | C28 | H2 | 109.7° | 109.5° |
| C28 | C29 | C30 | 119.9° | 120.0° |
| C28 | C29 | C34 | 120.0° | 120.0° |
| C29 | C28 | H1 | 109.7° | 109.5° |
| C29 | C28 | H2 | 109.7° | 109.5° |
| C29 | C30 | C31 | 119.9° | 119.9° |
| C30 | C29 | C34 | 120.1° | 120.0° |
| C29 | C30 | H7 | 120.0° | 120.0° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C30 | C31 | H6 | 120.0° | 120.0° |
| C31 | C30 | H7 | 120.0° | 120.0° |
| C29 | C34 | C33 | 120.0° | 120.0° |
| C29 | C34 | H3 | 120.0° | 120.0° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C31 | C32 | H5 | 120.0° | 120.0° |
| C32 | C31 | H6 | 120.0° | 120.0° |
| C34 | C33 | C32 | 120.0° | 120.0° |
| C33 | C34 | H3 | 120.0° | 120.0° |
| C34 | C33 | H4 | 120.0° | 120.0° |
| C32 | C33 | H4 | 120.0° | 120.0° |
| C33 | C32 | H5 | 120.0° | 120.0° |
| H1 | C28 | H2 | 109.5° | 109.4° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H13 | C26 | H15 | 109.5° | 109.4° |
| H14 | C26 | H15 | 109.4° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H18 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H24 | C5 | H25 | 109.5° | 109.5° |
| H24 | C5 | H26 | 109.5° | 109.4° |
| H25 | C5 | H26 | 109.5° | 109.4° |
| H27 | C4 | H28 | 109.5° | 109.4° |
| H27 | C4 | H29 | 109.5° | 109.5° |
| H28 | C4 | H29 | 109.5° | 109.5° |
| H32 | C8 | H33 | 109.5° | 109.5° |
| H35 | C11 | H36 | 109.4° | 109.5° |
| H35 | C11 | H37 | 109.5° | 109.4° |
| H36 | C11 | H37 | 109.5° | 109.5° |
| H38 | C10 | H39 | 109.5° | 109.5° |
| H38 | C10 | H40 | 109.5° | 109.4° |
| H39 | C10 | H40 | 109.4° | 109.4° |
| H46 | C19 | H47 | 109.5° | 109.5° |
| H46 | C19 | H48 | 109.4° | 109.5° |
| H47 | C19 | H48 | 109.4° | 109.4° |
| H50 | C16 | H51 | 109.4° | 109.5° |
| H50 | C16 | H52 | 109.5° | 109.5° |
| H51 | C16 | H52 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | C11 | 124.6° | 120.0° |
| C10 | C9 | C8 | H34 | 117.0° | 120.1° |
| C10 | C9 | C8 | C7 | 171.7° | 176.8° |
| C10 | C9 | C11 | H34 | 117.3° | 120.0° |
| C10 | C9 | C8 | H32 | 51.2° | 63.2° |
| C10 | C9 | C8 | H33 | 67.8° | 56.8° |
| C10 | C9 | C11 | H35 | 180.0° | 55.7° |
| C10 | C9 | C11 | H36 | 60.0° | 64.3° |
| C10 | C9 | C11 | H37 | 60.0° | 175.7° |
| C9 | C10 | H38 | H39 | 120.0° | 120.0° |
| C9 | C10 | H38 | H40 | 120.0° | 120.0° |
| C9 | C10 | H39 | H40 | 120.0° | 120.0° |
| O1 | C13 | C12 | N2 | 179.9° | 180.0° |
| O1 | C13 | C12 | C7 | 42.8° | 120.1° |
| O1 | C13 | C12 | O2 | 165.6° | 0.1° |
| O1 | C13 | N2 | C14 | 11.6° | 4.8° |
| O1 | C13 | C12 | H41 | 77.0° | 119.9° |
| O1 | C13 | N2 | H43 | 168.4° | 175.1° |
| C9 | C8 | C7 | H32 | 120.5° | 120.0° |
| C9 | C8 | C7 | H33 | 120.5° | 119.9° |
| C9 | C8 | C7 | C12 | 177.0° | 68.2° |
| C8 | C9 | C11 | H34 | 118.4° | 120.0° |
| C9 | C8 | C7 | N1 | 59.9° | 171.9° |
| C9 | C8 | C7 | H31 | 57.2° | 51.8° |
| C9 | C8 | H32 | H33 | 118.5° | 119.9° |
| C8 | C9 | C11 | H35 | 55.7° | 64.3° |
| C8 | C9 | C11 | H36 | 175.7° | 175.7° |
| C8 | C9 | C11 | H37 | 64.3° | 55.7° |
| C8 | C9 | C10 | H38 | 180.0° | 60.0° |
| C8 | C9 | C10 | H39 | 60.0° | 179.9° |
| C8 | C9 | C10 | H40 | 60.0° | 60.0° |
| C8 | C7 | C12 | C13 | 69.9° | 70.1° |
| C8 | C7 | C12 | N1 | 124.6° | 120.0° |
| C8 | C7 | C12 | H31 | 119.8° | 120.0° |
| C8 | C7 | C12 | O2 | 166.9° | 49.9° |
| C7 | C8 | C9 | C11 | 47.1° | 63.2° |
| C8 | C7 | N1 | H31 | 116.4° | 120.1° |
| C8 | C7 | N1 | C6 | 147.0° | 81.5° |
| C8 | C7 | N1 | H30 | 33.0° | 98.5° |
| C7 | C8 | H32 | H33 | 118.5° | 120.0° |
| C7 | C8 | C9 | H34 | 71.3° | 56.7° |
| C8 | C7 | C12 | H41 | 50.0° | 169.9° |
| C13 | C12 | C7 | O2 | 123.2° | 120.0° |
| C13 | C12 | C7 | H41 | 120.0° | 120.0° |
| C13 | C12 | O2 | H41 | 116.8° | 120.0° |
| C12 | C13 | N2 | C14 | 168.2° | 175.2° |
| C13 | C12 | C7 | N1 | 54.7° | 170.0° |
| C13 | C12 | C7 | H31 | 170.2° | 50.0° |
| C13 | C12 | O2 | H42 | 113.0° | 60.0° |
| C12 | C13 | N2 | H43 | 11.7° | 4.9° |
| N2 | C13 | C12 | C7 | 137.1° | 59.9° |
| N2 | C13 | C12 | O2 | 14.3° | 179.9° |
| C13 | N2 | C14 | C21 | 14.1° | 33.0° |
| C13 | N2 | C14 | H43 | 180.0° | 179.9° |
| C13 | N2 | C14 | C15 | 162.9° | 146.7° |
| N2 | C13 | C12 | H41 | 103.1° | 60.1° |
| C7 | C12 | O2 | H41 | 116.1° | 120.0° |
| C12 | C7 | N1 | H31 | 114.8° | 120.0° |
| C12 | C7 | N1 | C6 | 84.2° | 158.6° |
| C12 | C7 | N1 | H30 | 95.8° | 21.4° |
| C12 | C7 | C8 | H32 | 56.6° | 171.8° |
| C12 | C7 | C8 | H33 | 62.5° | 51.8° |
| C7 | C12 | O2 | H42 | 14.2° | 60.0° |
| O2 | C12 | C7 | N1 | 68.5° | 70.0° |
| O2 | C12 | C7 | H31 | 47.1° | 170.0° |
| C20 | C21 | C14 | H44 | 180.0° | 179.9° |
| C20 | C21 | C14 | N2 | 177.6° | 180.0° |
| C21 | C20 | C18 | H45 | 180.0° | 180.0° |
| C20 | C21 | C14 | C15 | 0.7° | 0.3° |
| C21 | C20 | C18 | C19 | 179.9° | 180.0° |
| C21 | C20 | C18 | C17 | 0.1° | 0.0° |
| C21 | C14 | N2 | C15 | 176.9° | 179.7° |
| C14 | C21 | C20 | C18 | 0.3° | 0.0° |
| C21 | C14 | C15 | C17 | 0.7° | 0.6° |
| C21 | C14 | C15 | C16 | 179.5° | 179.7° |
| C21 | C14 | N2 | H43 | 165.9° | 147.0° |
| C14 | C21 | C20 | H45 | 179.6° | 180.0° |
| N2 | C14 | C15 | C17 | 177.8° | 179.7° |
| N2 | C14 | C15 | C16 | 2.3° | 0.0° |
| N2 | C14 | C21 | H44 | 2.4° | 0.1° |
| C20 | C18 | C19 | C17 | 179.9° | 180.0° |
| C20 | C18 | C17 | C15 | 0.1° | 0.3° |
| C18 | C20 | C21 | H44 | 179.6° | 179.9° |
| C20 | C18 | C19 | H46 | 89.9° | 90.0° |
| C20 | C18 | C19 | H47 | 150.1° | 150.0° |
| C20 | C18 | C19 | H48 | 30.1° | 30.0° |
| C20 | C18 | C17 | H49 | 179.9° | 180.0° |
| C11 | C9 | C8 | H32 | 73.4° | 56.8° |
| C11 | C9 | C8 | H33 | 167.6° | 176.8° |
| C9 | C11 | H35 | H36 | 120.0° | 120.0° |
| C9 | C11 | H35 | H37 | 120.0° | 120.0° |
| C9 | C11 | H36 | H37 | 120.0° | 120.0° |
| C11 | C9 | C10 | H38 | 54.3° | 180.0° |
| C11 | C9 | C10 | H39 | 174.3° | 60.0° |
| C11 | C9 | C10 | H40 | 65.8° | 60.0° |
| C14 | C15 | C17 | C18 | 0.3° | 0.5° |
| C14 | C15 | C17 | C16 | 179.9° | 179.7° |
| C15 | C14 | N2 | H43 | 17.1° | 33.3° |
| C15 | C14 | C21 | H44 | 179.3° | 179.8° |
| C14 | C15 | C17 | H49 | 179.7° | 179.7° |
| C14 | C15 | C16 | H50 | 89.9° | 90.0° |
| C14 | C15 | C16 | H51 | 150.1° | 150.0° |
| C14 | C15 | C16 | H52 | 30.1° | 30.0° |
| C7 | N1 | C6 | H30 | 180.0° | 180.0° |
| C7 | N1 | C6 | O3 | 2.7° | 3.7° |
| C7 | N1 | C6 | C1 | 175.7° | 176.3° |
| N1 | C7 | C8 | H32 | 179.6° | 51.9° |
| N1 | C7 | C8 | H33 | 60.5° | 68.2° |
| N1 | C7 | C12 | H41 | 174.7° | 50.0° |
| C19 | C18 | C17 | C15 | 180.0° | 179.8° |
| C19 | C18 | C20 | H45 | 0.1° | 0.0° |
| C18 | C19 | H46 | H47 | 120.0° | 120.1° |
| C18 | C19 | H46 | H48 | 120.0° | 120.0° |
| C18 | C19 | H47 | H48 | 120.0° | 120.0° |
| C19 | C18 | C17 | H49 | 0.0° | 0.0° |
| C18 | C17 | C15 | H49 | 180.0° | 179.8° |
| C18 | C17 | C15 | C16 | 179.9° | 179.7° |
| C17 | C18 | C20 | H45 | 180.0° | 180.0° |
| C17 | C18 | C19 | H46 | 90.0° | 90.0° |
| C17 | C18 | C19 | H47 | 30.1° | 30.0° |
| C17 | C18 | C19 | H48 | 150.0° | 150.0° |
| C17 | C15 | C16 | H50 | 89.9° | 89.8° |
| C17 | C15 | C16 | H51 | 30.1° | 30.3° |
| C17 | C15 | C16 | H52 | 150.1° | 150.2° |
| C16 | C15 | C17 | H49 | 0.1° | 0.1° |
| C15 | C16 | H50 | H51 | 120.0° | 120.0° |
| C15 | C16 | H50 | H52 | 120.0° | 120.0° |
| C15 | C16 | H51 | H52 | 120.0° | 120.0° |
| N1 | C6 | O3 | C1 | 178.4° | 180.0° |
| N1 | C6 | C1 | C2 | 95.8° | 80.7° |
| N1 | C6 | C1 | N | 141.8° | 159.3° |
| N1 | C6 | C1 | H20 | 21.9° | 39.3° |
| C6 | N1 | C7 | H31 | 30.6° | 38.6° |
| O3 | C6 | C1 | C2 | 82.7° | 99.4° |
| O3 | C6 | C1 | N | 39.7° | 20.6° |
| O3 | C6 | C1 | H20 | 159.6° | 140.7° |
| O3 | C6 | N1 | H30 | 177.3° | 176.3° |
| C6 | C1 | C2 | N | 121.4° | 120.0° |
| C6 | C1 | C2 | H20 | 117.9° | 120.0° |
| C6 | C1 | N | H20 | 119.6° | 120.0° |
| C6 | C1 | C2 | C3 | 126.8° | 62.4° |
| C6 | C1 | N | C | 114.1° | 151.5° |
| C6 | C1 | N | H19 | 65.9° | 28.6° |
| C6 | C1 | C2 | H21 | 112.9° | 177.6° |
| C6 | C1 | C2 | H22 | 6.5° | 57.6° |
| C1 | C6 | N1 | H30 | 4.3° | 3.7° |
| C5 | C3 | C2 | C1 | 144.4° | 174.2° |
| C5 | C3 | C2 | C4 | 125.6° | 120.0° |
| C5 | C3 | C2 | H23 | 117.1° | 120.0° |
| C5 | C3 | C4 | H23 | 117.9° | 119.9° |
| C5 | C3 | C2 | H21 | 95.3° | 65.8° |
| C5 | C3 | C2 | H22 | 24.1° | 54.3° |
| C3 | C5 | H24 | H25 | 120.0° | 120.1° |
| C3 | C5 | H24 | H26 | 120.0° | 120.0° |
| C3 | C5 | H25 | H26 | 120.0° | 120.0° |
| C5 | C3 | C4 | H27 | 180.0° | 63.1° |
| C5 | C3 | C4 | H28 | 60.0° | 176.9° |
| C5 | C3 | C4 | H29 | 60.0° | 56.9° |
| C2 | C1 | N | H20 | 120.1° | 120.0° |
| C1 | C2 | C3 | H21 | 120.3° | 120.0° |
| C1 | C2 | C3 | H22 | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 89.9° | 65.8° |
| C2 | C1 | N | C | 125.5° | 88.6° |
| C2 | C1 | N | H19 | 54.5° | 91.3° |
| C1 | C2 | H21 | H22 | 119.0° | 120.0° |
| C1 | C2 | C3 | H23 | 27.4° | 54.3° |
| N | C1 | C2 | C3 | 111.8° | 177.6° |
| C1 | N | C | H19 | 180.0° | 179.9° |
| C1 | N | C | O | 2.4° | 4.9° |
| C1 | N | C | C22 | 177.2° | 175.1° |
| N | C1 | C2 | H21 | 8.5° | 57.6° |
| N | C1 | C2 | H22 | 127.9° | 62.4° |
| C2 | C3 | C4 | H23 | 117.3° | 120.1° |
| C3 | C2 | C1 | H20 | 8.8° | 57.6° |
| C3 | C2 | H21 | H22 | 119.0° | 120.1° |
| C2 | C3 | C5 | H24 | 180.0° | 60.0° |
| C2 | C3 | C5 | H25 | 60.0° | 179.9° |
| C2 | C3 | C5 | H26 | 60.0° | 60.0° |
| C2 | C3 | C4 | H27 | 55.3° | 176.9° |
| C2 | C3 | C4 | H28 | 64.7° | 57.0° |
| C2 | C3 | C4 | H29 | 175.3° | 63.1° |
| C4 | C3 | C2 | H21 | 30.4° | 54.2° |
| C4 | C3 | C2 | H22 | 149.7° | 174.2° |
| C4 | C3 | C5 | H24 | 54.9° | 179.9° |
| C4 | C3 | C5 | H25 | 65.1° | 60.0° |
| C4 | C3 | C5 | H26 | 175.0° | 60.0° |
| C3 | C4 | H27 | H28 | 120.0° | 120.0° |
| C3 | C4 | H27 | H29 | 120.0° | 120.0° |
| C3 | C4 | H28 | H29 | 120.0° | 120.1° |
| N | C | O | C22 | 179.5° | 180.0° |
| N | C | C22 | C23 | 107.6° | 85.7° |
| N | C | C22 | N3 | 131.3° | 154.3° |
| N | C | C22 | H9 | 10.2° | 34.3° |
| C | N | C1 | H20 | 5.5° | 31.4° |
| O | C | C22 | C23 | 72.0° | 94.2° |
| O | C | C22 | N3 | 49.2° | 25.7° |
| O | C | C22 | H9 | 170.3° | 145.7° |
| O | C | N | H19 | 177.6° | 175.2° |
| C | C22 | C23 | C24 | 118.5° | 64.8° |
| C | C22 | C23 | N3 | 121.5° | 120.0° |
| C | C22 | C23 | H9 | 118.0° | 120.0° |
| C | C22 | N3 | H9 | 120.7° | 120.0° |
| C | C22 | N3 | C27 | 51.1° | 151.4° |
| C | C22 | N3 | H8 | 128.9° | 28.7° |
| C | C22 | C23 | H10 | 2.1° | 175.2° |
| C | C22 | C23 | H11 | 120.8° | 55.2° |
| C22 | C | N | H19 | 2.8° | 4.8° |
| C25 | C24 | C23 | C26 | 125.3° | 120.0° |
| C25 | C24 | C23 | H12 | 116.8° | 120.1° |
| C25 | C24 | C26 | H12 | 118.2° | 120.0° |
| C25 | C24 | C23 | C22 | 176.0° | 66.4° |
| C25 | C24 | C23 | H10 | 55.4° | 53.5° |
| C25 | C24 | C23 | H11 | 63.3° | 173.6° |
| C25 | C24 | C26 | H13 | 180.0° | 179.9° |
| C25 | C24 | C26 | H14 | 60.0° | 60.0° |
| C25 | C24 | C26 | H15 | 60.0° | 60.0° |
| C24 | C25 | H16 | H17 | 120.0° | 120.0° |
| C24 | C25 | H16 | H18 | 120.0° | 119.9° |
| C24 | C25 | H17 | H18 | 120.0° | 119.9° |
| C23 | C24 | C26 | H12 | 118.0° | 120.0° |
| C24 | C23 | C22 | H10 | 120.7° | 119.9° |
| C24 | C23 | C22 | H11 | 120.6° | 120.0° |
| C24 | C23 | C22 | N3 | 120.0° | 175.2° |
| C24 | C23 | C22 | H9 | 0.5° | 55.2° |
| C24 | C23 | H10 | H11 | 118.0° | 120.0° |
| C23 | C24 | C26 | H13 | 56.1° | 59.9° |
| C23 | C24 | C26 | H14 | 63.9° | 180.0° |
| C23 | C24 | C26 | H15 | 176.1° | 60.0° |
| C23 | C24 | C25 | H16 | 180.0° | 64.1° |
| C23 | C24 | C25 | H17 | 60.0° | 175.8° |
| C23 | C24 | C25 | H18 | 60.0° | 55.9° |
| C26 | C24 | C23 | C22 | 58.7° | 173.6° |
| C26 | C24 | C23 | H10 | 179.3° | 66.5° |
| C26 | C24 | C23 | H11 | 62.0° | 53.6° |
| C24 | C26 | H13 | H14 | 120.0° | 120.1° |
| C24 | C26 | H13 | H15 | 120.0° | 120.0° |
| C24 | C26 | H14 | H15 | 120.0° | 119.9° |
| C26 | C24 | C25 | H16 | 55.0° | 55.9° |
| C26 | C24 | C25 | H17 | 65.0° | 64.2° |
| C26 | C24 | C25 | H18 | 175.0° | 175.8° |
| C23 | C22 | N3 | H9 | 119.9° | 120.0° |
| C23 | C22 | N3 | C27 | 170.4° | 88.7° |
| C23 | C22 | N3 | H8 | 9.6° | 91.3° |
| C22 | C23 | H10 | H11 | 118.0° | 120.0° |
| C22 | C23 | C24 | H12 | 59.2° | 53.7° |
| C22 | N3 | C27 | H8 | 180.0° | 180.0° |
| C22 | N3 | C27 | O5 | 5.9° | 5.0° |
| C22 | N3 | C27 | O4 | 171.7° | 174.7° |
| N3 | C22 | C23 | H10 | 119.4° | 55.3° |
| N3 | C22 | C23 | H11 | 0.7° | 64.8° |
| N3 | C27 | O5 | O4 | 177.7° | 179.7° |
| N3 | C27 | O4 | C28 | 35.0° | 179.7° |
| C27 | N3 | C22 | H9 | 69.7° | 31.3° |
| O5 | C27 | O4 | C28 | 147.2° | 0.0° |
| O5 | C27 | N3 | H8 | 174.1° | 175.0° |
| C27 | O4 | C28 | C29 | 157.8° | 180.0° |
| C27 | O4 | C28 | H1 | 82.3° | 59.9° |
| C27 | O4 | C28 | H2 | 37.9° | 60.0° |
| O4 | C27 | N3 | H8 | 8.3° | 5.3° |
| O4 | C28 | C29 | H1 | 119.9° | 120.0° |
| O4 | C28 | C29 | H2 | 119.9° | 120.0° |
| O4 | C28 | C29 | C30 | 68.9° | 90.3° |
| O4 | C28 | C29 | C34 | 110.7° | 90.0° |
| O4 | C28 | H1 | H2 | 120.4° | 119.9° |
| C28 | C29 | C30 | C34 | 179.6° | 179.8° |
| C28 | C29 | C30 | C31 | 179.8° | 179.7° |
| C28 | C29 | C34 | C33 | 179.9° | 180.0° |
| C29 | C28 | H1 | H2 | 120.4° | 120.0° |
| C28 | C29 | C34 | H3 | 0.1° | 0.1° |
| C28 | C29 | C30 | H7 | 0.1° | 0.1° |
| C29 | C30 | C31 | H7 | 180.0° | 179.8° |
| C29 | C30 | C31 | C32 | 0.0° | 0.5° |
| C30 | C29 | C34 | C33 | 0.2° | 0.3° |
| C30 | C29 | C28 | H1 | 50.9° | 149.7° |
| C30 | C29 | C28 | H2 | 171.2° | 29.8° |
| C30 | C29 | C34 | H3 | 179.7° | 179.8° |
| C29 | C30 | C31 | H6 | 180.0° | 179.7° |
| C31 | C30 | C29 | C34 | 0.2° | 0.5° |
| C30 | C31 | C32 | H6 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 0.1° | 0.3° |
| C30 | C31 | C32 | H5 | 179.9° | 179.8° |
| C29 | C34 | C33 | H3 | 180.0° | 179.9° |
| C29 | C34 | C33 | C32 | 0.1° | 0.0° |
| C34 | C29 | C28 | H1 | 129.4° | 30.0° |
| C34 | C29 | C28 | H2 | 9.2° | 150.0° |
| C29 | C34 | C33 | H4 | 179.9° | 180.0° |
| C34 | C29 | C30 | H7 | 179.8° | 179.7° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H5 | 180.0° | 180.0° |
| C31 | C32 | C33 | H4 | 180.0° | 180.0° |
| C32 | C31 | C30 | H7 | 179.9° | 179.7° |
| C34 | C33 | C32 | H4 | 180.0° | 180.0° |
| C34 | C33 | C32 | H5 | 180.0° | 180.0° |
| C32 | C33 | C34 | H3 | 179.9° | 179.9° |
| C33 | C32 | C31 | H6 | 179.9° | 180.0° |
| H3 | C34 | C33 | H4 | 0.2° | 0.1° |
| H4 | C33 | C32 | H5 | 0.0° | 0.0° |
| H5 | C32 | C31 | H6 | 0.1° | 0.0° |
| H6 | C31 | C30 | H7 | 0.1° | 0.0° |
| H8 | N3 | C22 | H9 | 110.3° | 148.7° |
| H9 | C22 | C23 | H10 | 120.1° | 64.7° |
| H9 | C22 | C23 | H11 | 121.2° | 175.2° |
| H10 | C23 | C24 | H12 | 61.4° | 173.6° |
| H11 | C23 | C24 | H12 | 179.9° | 66.4° |
| H12 | C24 | C26 | H13 | 61.8° | 60.0° |
| H12 | C24 | C26 | H14 | 178.2° | 60.1° |
| H12 | C24 | C26 | H15 | 58.2° | 180.0° |
| H12 | C24 | C25 | H16 | 63.2° | 175.8° |
| H12 | C24 | C25 | H17 | 176.8° | 55.8° |
| H12 | C24 | C25 | H18 | 56.8° | 64.2° |
| H13 | C26 | H14 | H15 | 120.0° | 120.0° |
| H16 | C25 | H17 | H18 | 120.0° | 120.1° |
| H19 | N | C1 | H20 | 174.5° | 148.6° |
| H20 | C1 | C2 | H21 | 129.2° | 62.4° |
| H20 | C1 | C2 | H22 | 111.5° | 177.6° |
| H21 | C2 | C3 | H23 | 147.7° | 174.2° |
| H22 | C2 | C3 | H23 | 92.9° | 65.7° |
| H23 | C3 | C5 | H24 | 63.0° | 60.1° |
| H23 | C3 | C5 | H25 | 177.0° | 60.0° |
| H23 | C3 | C5 | H26 | 57.0° | 180.0° |
| H23 | C3 | C4 | H27 | 62.1° | 56.8° |
| H23 | C3 | C4 | H28 | 177.9° | 63.1° |
| H23 | C3 | C4 | H29 | 57.9° | 176.8° |
| H24 | C5 | H25 | H26 | 120.0° | 120.0° |
| H27 | C4 | H28 | H29 | 120.0° | 120.0° |
| H30 | N1 | C7 | H31 | 149.4° | 141.4° |
| H31 | C7 | C8 | H32 | 63.3° | 68.2° |
| H31 | C7 | C8 | H33 | 177.6° | 171.8° |
| H31 | C7 | C12 | H41 | 69.8° | 70.0° |
| H32 | C8 | C9 | H34 | 168.2° | 176.8° |
| H33 | C8 | C9 | H34 | 49.2° | 63.2° |
| H34 | C9 | C11 | H35 | 62.6° | 175.7° |
| H34 | C9 | C11 | H36 | 57.3° | 55.7° |
| H34 | C9 | C11 | H37 | 177.3° | 64.3° |
| H34 | C9 | C10 | H38 | 63.0° | 60.1° |
| H34 | C9 | C10 | H39 | 57.0° | 60.0° |
| H34 | C9 | C10 | H40 | 177.0° | 179.9° |
| H35 | C11 | H36 | H37 | 120.0° | 120.0° |
| H38 | C10 | H39 | H40 | 120.0° | 120.0° |
| H41 | C12 | O2 | H42 | 130.3° | 180.0° |
| H44 | C21 | C20 | H45 | 0.4° | 0.1° |
| H46 | C19 | H47 | H48 | 120.0° | 120.0° |
| H50 | C16 | H51 | H52 | 120.0° | 120.0° |
