FND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C13 | sing | 1.36Å | 1.37Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.48Å | Aromatic |
| N4 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.35Å | Aromatic |
| N5 | C14 | sing | 1.39Å | 1.36Å | |
| N5 | C17 | sing | 1.39Å | 1.36Å | |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C30 | C33 | sing | 1.53Å | 1.53Å | |
| C30 | N7 | sing | 1.47Å | 1.47Å | |
| C | N7 | sing | 1.47Å | 1.47Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C11 | C6 | sing | 1.48Å | 1.50Å | |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | N1 | sing | 1.47Å | 1.46Å | |
| C19 | N1 | sing | 1.39Å | 1.40Å | |
| C19 | C20 | doub | 1.40Å | 1.48Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | N6 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | N6 | sing | 1.35Å | 1.33Å | |
| C6 | O3 | doub | 1.22Å | 1.22Å | |
| N6 | C3 | sing | 1.47Å | 1.46Å | |
| N3 | C20 | sing | 1.33Å | 1.35Å | Aromatic |
| C33 | N8 | sing | 1.47Å | 1.47Å | |
| N7 | C36 | sing | 1.47Å | 1.47Å | |
| N1 | C27 | sing | 1.33Å | 1.33Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| N8 | C35 | sing | 1.47Å | 1.47Å | |
| N8 | C37 | sing | 1.47Å | 1.47Å | |
| C20 | N2 | sing | 1.38Å | 1.39Å | |
| C27 | O1 | doub | 1.22Å | 1.23Å | |
| C27 | C26 | sing | 1.47Å | 1.50Å | |
| N2 | C21 | sing | 1.39Å | 1.40Å | |
| N2 | C29 | sing | 1.46Å | 1.47Å | |
| C26 | C21 | doub | 1.40Å | 1.49Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C29 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C32 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C7 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O2 | C13 | 121.9° | 117.0° |
| O2 | C5 | H28 | 109.5° | 109.4° |
| O2 | C5 | H29 | 109.5° | 109.5° |
| O2 | C5 | H30 | 109.5° | 109.5° |
| O2 | C13 | C12 | 121.5° | 120.1° |
| O2 | C13 | C14 | 118.8° | 120.0° |
| C12 | C13 | C14 | 119.6° | 119.9° |
| C13 | C12 | C11 | 120.2° | 119.9° |
| C13 | C12 | H1 | 119.9° | 120.0° |
| C13 | C14 | N5 | 118.6° | 119.9° |
| C13 | C14 | C15 | 118.0° | 120.1° |
| C18 | N4 | C17 | 122.5° | 120.9° |
| N4 | C18 | C19 | 119.9° | 119.2° |
| N4 | C18 | H7 | 120.0° | 120.4° |
| N4 | C17 | N5 | 118.3° | 119.1° |
| N4 | C17 | N3 | 120.8° | 121.7° |
| C14 | N5 | C17 | 128.2° | 120.0° |
| N5 | C14 | C15 | 123.3° | 119.9° |
| C14 | N5 | H13 | 115.9° | 120.0° |
| N5 | C17 | N3 | 120.9° | 119.1° |
| C17 | N5 | H13 | 115.8° | 120.0° |
| C12 | C11 | C6 | 120.1° | 120.0° |
| C12 | C11 | C16 | 120.4° | 119.9° |
| C11 | C12 | H1 | 119.9° | 120.1° |
| C18 | C19 | N1 | 117.4° | 119.9° |
| C18 | C19 | C20 | 116.8° | 118.3° |
| C19 | C18 | H7 | 120.0° | 120.4° |
| C14 | C15 | C16 | 120.7° | 120.1° |
| C14 | C15 | H2 | 119.6° | 119.9° |
| C17 | N3 | C20 | 121.0° | 120.6° |
| C | C4 | C3 | 110.1° | 109.3° |
| C4 | C | N7 | 110.0° | 109.5° |
| C4 | C | C1 | 109.6° | 109.6° |
| C | C4 | H20 | 109.3° | 109.5° |
| C | C4 | H21 | 109.3° | 109.5° |
| C4 | C | H22 | 109.2° | 109.5° |
| C4 | C3 | N6 | 105.8° | 108.8° |
| C4 | C3 | H18 | 110.4° | 109.6° |
| C4 | C3 | H19 | 110.3° | 109.6° |
| C3 | C4 | H20 | 109.3° | 109.5° |
| C3 | C4 | H21 | 109.3° | 109.4° |
| C33 | C30 | N7 | 110.1° | 109.4° |
| C30 | C33 | N8 | 110.5° | 109.4° |
| C33 | C30 | H32 | 109.3° | 109.5° |
| C33 | C30 | H33 | 109.3° | 109.5° |
| C30 | C33 | H34 | 109.2° | 109.5° |
| C30 | C33 | H35 | 109.2° | 109.5° |
| C30 | N7 | C | 110.8° | 111.0° |
| C30 | N7 | C36 | 108.9° | 110.8° |
| N7 | C30 | H32 | 109.3° | 109.5° |
| N7 | C30 | H33 | 109.3° | 109.5° |
| N7 | C | C1 | 109.0° | 109.4° |
| C | N7 | C36 | 109.4° | 111.0° |
| N7 | C | H22 | 109.9° | 109.4° |
| C | C1 | C2 | 112.8° | 109.3° |
| C | C1 | H16 | 108.6° | 109.5° |
| C | C1 | H17 | 108.6° | 109.5° |
| C1 | C | H22 | 109.2° | 109.5° |
| C6 | C11 | C16 | 119.6° | 120.1° |
| C11 | C6 | N6 | 121.5° | 120.0° |
| C11 | C6 | O3 | 118.0° | 120.0° |
| C11 | C16 | C15 | 121.0° | 120.1° |
| C11 | C16 | H3 | 119.5° | 120.0° |
| C28 | N1 | C19 | 113.6° | 116.6° |
| C28 | N1 | C27 | 121.4° | 116.7° |
| N1 | C28 | H4 | 109.5° | 109.5° |
| N1 | C28 | H5 | 109.5° | 109.5° |
| N1 | C28 | H6 | 109.5° | 109.4° |
| N1 | C19 | C20 | 125.7° | 121.7° |
| C19 | N1 | C27 | 124.9° | 126.7° |
| C19 | C20 | N3 | 118.9° | 119.1° |
| C19 | C20 | N2 | 123.8° | 121.1° |
| C16 | C15 | H2 | 119.6° | 120.0° |
| C15 | C16 | H3 | 119.5° | 120.0° |
| N6 | C2 | C1 | 108.0° | 108.8° |
| C2 | N6 | C6 | 120.0° | 120.6° |
| C2 | N6 | C3 | 117.5° | 118.8° |
| N6 | C2 | H14 | 109.9° | 109.5° |
| N6 | C2 | H15 | 109.9° | 109.6° |
| C1 | C2 | H14 | 109.8° | 109.6° |
| C1 | C2 | H15 | 109.8° | 109.6° |
| C2 | C1 | H16 | 108.6° | 109.5° |
| C2 | C1 | H17 | 108.6° | 109.5° |
| N6 | C6 | O3 | 120.5° | 120.0° |
| C6 | N6 | C3 | 122.4° | 120.6° |
| N6 | C3 | H18 | 110.4° | 109.6° |
| N6 | C3 | H19 | 110.4° | 109.7° |
| N3 | C20 | N2 | 117.1° | 119.8° |
| C33 | N8 | C35 | 110.5° | 110.8° |
| C33 | N8 | C37 | 109.4° | 111.0° |
| N8 | C33 | H34 | 109.2° | 109.5° |
| N8 | C33 | H35 | 109.2° | 109.6° |
| N7 | C36 | C35 | 109.5° | 109.4° |
| N7 | C36 | H39 | 109.5° | 109.5° |
| N7 | C36 | H40 | 109.5° | 109.5° |
| N1 | C27 | O1 | 118.9° | 117.0° |
| N1 | C27 | C26 | 123.9° | 125.8° |
| C36 | C35 | N8 | 110.1° | 109.4° |
| C36 | C35 | H37 | 109.3° | 109.5° |
| C36 | C35 | H38 | 109.3° | 109.5° |
| C35 | C36 | H39 | 109.5° | 109.5° |
| C35 | C36 | H40 | 109.5° | 109.4° |
| C35 | N8 | C37 | 108.4° | 111.0° |
| N8 | C35 | H37 | 109.3° | 109.5° |
| N8 | C35 | H38 | 109.3° | 109.4° |
| N8 | C37 | H41 | 109.5° | 109.5° |
| N8 | C37 | H42 | 109.5° | 109.5° |
| N8 | C37 | H43 | 109.5° | 109.5° |
| C20 | N2 | C21 | 115.1° | 119.0° |
| C20 | N2 | C29 | 121.0° | 120.5° |
| O1 | C27 | C26 | 117.2° | 117.1° |
| C27 | C26 | C21 | 125.2° | 121.0° |
| C27 | C26 | C25 | 116.4° | 119.8° |
| C21 | N2 | C29 | 123.4° | 120.6° |
| N2 | C21 | C26 | 123.1° | 120.1° |
| N2 | C21 | C22 | 118.3° | 119.9° |
| N2 | C29 | C7 | 111.3° | 109.5° |
| N2 | C29 | C32 | 109.9° | 109.5° |
| N2 | C29 | H12 | 110.0° | 109.5° |
| C21 | C26 | C25 | 118.4° | 119.2° |
| C26 | C21 | C22 | 118.5° | 119.9° |
| C26 | C25 | C24 | 120.7° | 120.1° |
| C26 | C25 | H8 | 119.7° | 119.9° |
| C7 | C29 | C32 | 107.1° | 109.5° |
| C7 | C29 | H12 | 109.3° | 109.4° |
| C29 | C7 | H44 | 109.5° | 109.5° |
| C29 | C7 | H45 | 109.5° | 109.4° |
| C29 | C7 | H46 | 109.5° | 109.5° |
| C21 | C22 | C23 | 120.6° | 120.1° |
| C21 | C22 | H11 | 119.7° | 119.9° |
| C25 | C24 | C23 | 120.9° | 120.4° |
| C24 | C25 | H8 | 119.6° | 120.0° |
| C25 | C24 | H9 | 119.5° | 119.8° |
| C29 | C32 | C31 | 109.5° | 109.5° |
| C32 | C29 | H12 | 109.3° | 109.5° |
| C29 | C32 | H26 | 109.5° | 109.5° |
| C29 | C32 | H27 | 109.4° | 109.5° |
| C22 | C23 | C24 | 120.8° | 120.2° |
| C22 | C23 | H10 | 119.6° | 119.9° |
| C23 | C22 | H11 | 119.7° | 120.0° |
| C23 | C24 | H9 | 119.5° | 119.7° |
| C24 | C23 | H10 | 119.6° | 119.9° |
| C32 | C31 | H23 | 109.5° | 109.5° |
| C32 | C31 | H24 | 109.5° | 109.5° |
| C32 | C31 | H25 | 109.5° | 109.5° |
| C31 | C32 | H26 | 109.5° | 109.5° |
| C31 | C32 | H27 | 109.5° | 109.4° |
| H4 | C28 | H5 | 109.5° | 109.5° |
| H4 | C28 | H6 | 109.5° | 109.4° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.4° | 109.7° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.6° |
| H20 | C4 | H21 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.4° | 109.5° |
| H23 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.4° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H28 | C5 | H29 | 109.4° | 109.4° |
| H28 | C5 | H30 | 109.5° | 109.5° |
| H29 | C5 | H30 | 109.4° | 109.5° |
| H32 | C30 | H33 | 109.4° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.5° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
| H41 | C37 | H42 | 109.5° | 109.5° |
| H41 | C37 | H43 | 109.5° | 109.5° |
| H42 | C37 | H43 | 109.5° | 109.4° |
| H44 | C7 | H45 | 109.5° | 109.5° |
| H44 | C7 | H46 | 109.5° | 109.5° |
| H45 | C7 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | O2 | C13 | C12 | 13.9° | 0.0° |
| C5 | O2 | C13 | C14 | 166.1° | 180.0° |
| O2 | C5 | H28 | H29 | 120.0° | 120.0° |
| O2 | C5 | H28 | H30 | 120.0° | 120.0° |
| O2 | C5 | H29 | H30 | 120.0° | 120.0° |
| O2 | C13 | C12 | C14 | 180.0° | 180.0° |
| O2 | C13 | C14 | N5 | 2.2° | 0.0° |
| O2 | C13 | C12 | C11 | 179.6° | 180.0° |
| O2 | C13 | C14 | C15 | 179.1° | 179.9° |
| O2 | C13 | C12 | H1 | 0.5° | 0.0° |
| C13 | O2 | C5 | H28 | 180.0° | 60.0° |
| C13 | O2 | C5 | H29 | 60.0° | 59.9° |
| C13 | O2 | C5 | H30 | 60.0° | 180.0° |
| C12 | C13 | C14 | N5 | 177.8° | 180.0° |
| C13 | C12 | C11 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.9° | 0.0° |
| C13 | C12 | C11 | C6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 1.1° | 0.3° |
| C13 | C14 | N5 | C15 | 176.7° | 179.9° |
| C13 | C14 | N5 | C17 | 136.3° | 150.8° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C14 | C15 | C16 | 1.6° | 0.3° |
| C14 | C13 | C12 | H1 | 179.5° | 180.0° |
| C13 | C14 | C15 | H2 | 178.4° | 180.0° |
| C13 | C14 | N5 | H13 | 43.6° | 29.3° |
| C18 | N4 | C17 | N5 | 179.9° | 179.0° |
| N4 | C18 | C19 | H7 | 180.0° | 180.0° |
| C18 | N4 | C17 | N3 | 2.0° | 1.0° |
| N4 | C18 | C19 | N1 | 178.4° | 178.0° |
| N4 | C18 | C19 | C20 | 1.5° | 1.6° |
| N4 | C17 | N5 | C14 | 154.4° | 6.1° |
| N4 | C17 | N5 | N3 | 177.8° | 179.9° |
| C17 | N4 | C18 | C19 | 1.5° | 0.2° |
| N4 | C17 | N3 | C20 | 2.6° | 0.1° |
| C17 | N4 | C18 | H7 | 178.5° | 179.8° |
| N4 | C17 | N5 | H13 | 25.5° | 173.9° |
| C14 | N5 | C17 | H13 | 180.0° | 180.0° |
| C14 | N5 | C17 | N3 | 27.7° | 173.9° |
| N5 | C14 | C15 | C16 | 178.3° | 179.8° |
| N5 | C14 | C15 | H2 | 1.7° | 0.0° |
| C17 | N5 | C14 | C15 | 46.9° | 29.3° |
| N5 | C17 | N3 | C20 | 179.6° | 180.0° |
| C12 | C11 | C6 | C16 | 178.9° | 179.7° |
| C12 | C11 | C16 | C15 | 0.4° | 0.5° |
| C12 | C11 | C6 | N6 | 55.8° | 137.2° |
| C12 | C11 | C6 | O3 | 123.5° | 42.8° |
| C12 | C11 | C16 | H3 | 179.6° | 179.8° |
| C18 | C19 | N1 | C28 | 38.1° | 39.6° |
| C18 | C19 | N1 | C20 | 176.5° | 179.6° |
| C18 | C19 | C20 | N3 | 2.1° | 2.6° |
| C18 | C19 | N1 | C27 | 141.7° | 140.4° |
| C18 | C19 | C20 | N2 | 178.0° | 176.2° |
| C14 | C15 | C16 | C11 | 1.0° | 0.5° |
| C14 | C15 | C16 | H2 | 180.0° | 179.7° |
| C14 | C15 | C16 | H3 | 179.0° | 179.7° |
| C15 | C14 | N5 | H13 | 133.1° | 150.7° |
| C17 | N3 | C20 | C19 | 2.7° | 1.9° |
| C17 | N3 | C20 | N2 | 178.9° | 176.9° |
| N3 | C17 | N5 | H13 | 152.3° | 6.0° |
| C | C4 | C3 | H20 | 120.1° | 120.0° |
| C | C4 | C3 | H21 | 120.1° | 120.0° |
| C4 | C | N7 | C30 | 57.4° | 56.2° |
| C4 | C | N7 | C1 | 120.1° | 120.1° |
| C4 | C | N7 | H22 | 120.3° | 119.9° |
| C4 | C | C1 | H22 | 119.6° | 120.0° |
| C4 | C | C1 | C2 | 39.1° | 61.4° |
| C | C4 | C3 | N6 | 68.1° | 54.6° |
| C4 | C | N7 | C36 | 177.5° | 180.0° |
| C4 | C | C1 | H16 | 159.5° | 58.6° |
| C4 | C | C1 | H17 | 81.4° | 178.7° |
| C | C4 | C3 | H18 | 51.3° | 174.4° |
| C | C4 | C3 | H19 | 172.5° | 65.3° |
| C | C4 | H20 | H21 | 119.7° | 120.2° |
| C3 | C4 | C | N7 | 95.9° | 178.6° |
| C3 | C4 | C | C1 | 23.8° | 61.3° |
| C4 | C3 | N6 | C2 | 48.2° | 53.5° |
| C4 | C3 | N6 | C6 | 133.4° | 126.4° |
| C4 | C3 | N6 | H18 | 119.4° | 119.8° |
| C4 | C3 | N6 | H19 | 119.4° | 119.8° |
| C4 | C3 | H18 | H19 | 121.7° | 120.2° |
| C3 | C4 | H20 | H21 | 119.7° | 120.0° |
| C3 | C4 | C | H22 | 143.4° | 58.7° |
| C33 | C30 | N7 | H32 | 120.1° | 120.0° |
| C33 | C30 | N7 | H33 | 120.1° | 120.0° |
| C33 | C30 | N7 | C | 179.6° | 176.8° |
| C30 | C33 | N8 | H34 | 120.2° | 120.0° |
| C30 | C33 | N8 | H35 | 120.2° | 120.0° |
| C33 | C30 | N7 | C36 | 60.0° | 59.3° |
| C30 | C33 | N8 | C35 | 56.2° | 59.3° |
| C30 | C33 | N8 | C37 | 175.4° | 176.8° |
| C33 | C30 | H32 | H33 | 119.7° | 120.1° |
| C30 | C33 | H34 | H35 | 119.5° | 120.0° |
| C30 | N7 | C | C36 | 120.1° | 123.8° |
| C30 | N7 | C | C1 | 177.5° | 176.3° |
| N7 | C30 | C33 | N8 | 57.7° | 58.4° |
| C30 | N7 | C36 | C35 | 61.2° | 59.3° |
| C30 | N7 | C | H22 | 62.9° | 63.8° |
| N7 | C30 | H32 | H33 | 119.7° | 120.0° |
| N7 | C30 | C33 | H34 | 177.8° | 178.4° |
| N7 | C30 | C33 | H35 | 62.5° | 61.6° |
| C30 | N7 | C36 | H39 | 178.9° | 179.3° |
| C30 | N7 | C36 | H40 | 58.9° | 60.7° |
| N7 | C | C1 | H22 | 120.1° | 119.9° |
| N7 | C | C1 | C2 | 159.4° | 178.6° |
| C | N7 | C36 | C35 | 177.6° | 176.8° |
| N7 | C | C1 | H16 | 80.1° | 61.4° |
| N7 | C | C1 | H17 | 38.9° | 58.6° |
| N7 | C | C4 | H20 | 24.2° | 58.7° |
| N7 | C | C4 | H21 | 144.0° | 61.5° |
| C | N7 | C30 | H32 | 59.5° | 63.2° |
| C | N7 | C30 | H33 | 60.3° | 56.8° |
| C | N7 | C36 | H39 | 57.6° | 56.8° |
| C | N7 | C36 | H40 | 62.4° | 63.2° |
| C | C1 | C2 | N6 | 59.5° | 54.6° |
| C | C1 | C2 | H16 | 120.5° | 119.9° |
| C | C1 | C2 | H17 | 120.5° | 120.0° |
| C1 | C | N7 | C36 | 62.4° | 59.9° |
| C | C1 | C2 | H14 | 179.3° | 65.1° |
| C | C1 | C2 | H15 | 60.3° | 174.4° |
| C | C1 | H16 | H17 | 118.5° | 120.1° |
| C1 | C | C4 | H20 | 143.9° | 178.7° |
| C1 | C | C4 | H21 | 96.3° | 58.6° |
| C6 | C11 | C16 | C15 | 179.3° | 179.8° |
| C11 | C6 | N6 | C2 | 151.9° | 5.1° |
| C11 | C6 | N6 | O3 | 179.3° | 180.0° |
| C11 | C6 | N6 | C3 | 29.8° | 175.0° |
| C6 | C11 | C12 | H1 | 0.0° | 0.1° |
| C6 | C11 | C16 | H3 | 0.8° | 0.0° |
| C11 | C16 | C15 | H3 | 180.0° | 179.7° |
| C16 | C11 | C6 | N6 | 125.3° | 43.0° |
| C16 | C11 | C6 | O3 | 55.4° | 137.0° |
| C16 | C11 | C12 | H1 | 178.9° | 179.8° |
| C11 | C16 | C15 | H2 | 179.0° | 179.7° |
| C28 | N1 | C19 | C27 | 179.8° | 180.0° |
| C28 | N1 | C19 | C20 | 138.4° | 140.0° |
| C28 | N1 | C27 | O1 | 8.0° | 1.1° |
| C28 | N1 | C27 | C26 | 174.1° | 178.6° |
| N1 | C28 | H4 | H5 | 120.0° | 120.0° |
| N1 | C28 | H4 | H6 | 120.0° | 120.0° |
| N1 | C28 | H5 | H6 | 120.0° | 120.0° |
| N1 | C19 | C20 | N3 | 178.7° | 177.0° |
| N1 | C19 | C20 | N2 | 5.4° | 4.2° |
| C19 | N1 | C27 | O1 | 171.8° | 178.9° |
| C19 | N1 | C27 | C26 | 6.1° | 1.4° |
| C19 | N1 | C28 | H4 | 180.0° | 180.0° |
| C19 | N1 | C28 | H5 | 60.0° | 60.0° |
| C19 | N1 | C28 | H6 | 60.0° | 60.0° |
| N1 | C19 | C18 | H7 | 1.6° | 2.0° |
| C19 | C20 | N3 | N2 | 176.2° | 178.8° |
| C20 | C19 | N1 | C27 | 41.8° | 40.0° |
| C19 | C20 | N2 | C21 | 55.1° | 61.6° |
| C19 | C20 | N2 | C29 | 132.1° | 118.5° |
| C20 | C19 | C18 | H7 | 178.4° | 178.4° |
| N6 | C2 | C1 | H14 | 119.8° | 119.8° |
| N6 | C2 | C1 | H15 | 119.8° | 119.8° |
| C2 | N6 | C6 | C3 | 178.3° | 179.9° |
| C2 | N6 | C6 | O3 | 27.4° | 174.9° |
| N6 | C2 | H14 | H15 | 120.7° | 120.3° |
| N6 | C2 | C1 | H16 | 180.0° | 65.3° |
| N6 | C2 | C1 | H17 | 61.0° | 174.6° |
| C2 | N6 | C3 | H18 | 71.2° | 173.3° |
| C2 | N6 | C3 | H19 | 167.6° | 66.3° |
| C1 | C2 | N6 | C6 | 165.8° | 126.3° |
| C1 | C2 | N6 | C3 | 12.6° | 53.6° |
| C1 | C2 | H14 | H15 | 120.7° | 120.4° |
| C2 | C1 | H16 | H17 | 118.5° | 120.1° |
| C2 | C1 | C | H22 | 80.5° | 58.7° |
| C6 | N6 | C2 | H14 | 46.0° | 113.9° |
| C6 | N6 | C2 | H15 | 74.4° | 6.5° |
| C6 | N6 | C3 | H18 | 107.2° | 6.6° |
| C6 | N6 | C3 | H19 | 14.0° | 113.8° |
| O3 | C6 | N6 | C3 | 150.9° | 5.0° |
| C3 | N6 | C2 | H14 | 132.4° | 66.2° |
| C3 | N6 | C2 | H15 | 107.2° | 173.4° |
| N6 | C3 | H18 | H19 | 121.7° | 120.4° |
| N6 | C3 | C4 | H20 | 171.8° | 174.5° |
| N6 | C3 | C4 | H21 | 52.0° | 65.4° |
| N3 | C20 | N2 | C21 | 120.9° | 117.2° |
| N3 | C20 | N2 | C29 | 51.9° | 62.7° |
| C33 | N8 | C35 | C36 | 57.5° | 59.3° |
| C33 | N8 | C35 | C37 | 119.8° | 123.8° |
| N8 | C33 | C30 | H32 | 177.8° | 61.5° |
| N8 | C33 | C30 | H33 | 62.5° | 178.4° |
| N8 | C33 | H34 | H35 | 119.5° | 120.1° |
| C33 | N8 | C35 | H37 | 62.6° | 179.3° |
| C33 | N8 | C35 | H38 | 177.6° | 60.7° |
| C33 | N8 | C37 | H41 | 180.0° | 60.0° |
| C33 | N8 | C37 | H42 | 60.0° | 180.0° |
| C33 | N8 | C37 | H43 | 60.0° | 60.1° |
| N7 | C36 | C35 | H39 | 120.0° | 120.0° |
| N7 | C36 | C35 | H40 | 120.0° | 120.0° |
| N7 | C36 | C35 | N8 | 60.2° | 58.4° |
| C36 | N7 | C | H22 | 57.2° | 60.0° |
| C36 | N7 | C30 | H32 | 179.9° | 60.7° |
| C36 | N7 | C30 | H33 | 60.1° | 179.3° |
| N7 | C36 | C35 | H37 | 59.9° | 178.4° |
| N7 | C36 | C35 | H38 | 179.7° | 61.5° |
| N7 | C36 | H39 | H40 | 120.0° | 120.0° |
| N1 | C27 | O1 | C26 | 178.0° | 179.7° |
| N1 | C27 | C26 | C21 | 32.4° | 38.8° |
| N1 | C27 | C26 | C25 | 149.0° | 141.6° |
| C27 | N1 | C28 | H4 | 0.2° | 0.0° |
| C27 | N1 | C28 | H5 | 120.2° | 120.0° |
| C27 | N1 | C28 | H6 | 119.8° | 120.0° |
| C36 | C35 | N8 | H37 | 120.1° | 120.0° |
| C36 | C35 | N8 | H38 | 120.1° | 120.0° |
| C36 | C35 | N8 | C37 | 177.3° | 176.9° |
| C36 | C35 | H37 | H38 | 119.7° | 120.1° |
| C35 | C36 | H39 | H40 | 120.0° | 120.0° |
| C35 | N8 | C33 | H34 | 176.4° | 179.3° |
| C35 | N8 | C33 | H35 | 64.0° | 60.6° |
| N8 | C35 | H37 | H38 | 119.8° | 120.0° |
| N8 | C35 | C36 | H39 | 179.8° | 178.4° |
| N8 | C35 | C36 | H40 | 59.8° | 61.6° |
| C35 | N8 | C37 | H41 | 59.5° | 63.8° |
| C35 | N8 | C37 | H42 | 179.5° | 56.2° |
| C35 | N8 | C37 | H43 | 60.5° | 176.2° |
| C37 | N8 | C33 | H34 | 64.4° | 56.9° |
| C37 | N8 | C33 | H35 | 55.3° | 63.2° |
| C37 | N8 | C35 | H37 | 57.3° | 56.9° |
| C37 | N8 | C35 | H38 | 62.6° | 63.2° |
| N8 | C37 | H41 | H42 | 120.0° | 120.0° |
| N8 | C37 | H41 | H43 | 120.0° | 120.1° |
| N8 | C37 | H42 | H43 | 120.0° | 120.0° |
| C20 | N2 | C21 | C29 | 172.6° | 179.9° |
| C20 | N2 | C21 | C26 | 54.3° | 59.7° |
| C20 | N2 | C29 | C7 | 33.0° | 59.9° |
| C20 | N2 | C21 | C22 | 122.4° | 117.7° |
| C20 | N2 | C29 | C32 | 151.5° | 60.1° |
| C20 | N2 | C29 | H12 | 88.2° | 179.9° |
| O1 | C27 | C26 | C21 | 149.7° | 140.9° |
| O1 | C27 | C26 | C25 | 28.9° | 38.7° |
| C27 | C26 | C21 | N2 | 2.4° | 5.1° |
| C27 | C26 | C21 | C25 | 178.6° | 179.6° |
| C27 | C26 | C21 | C22 | 179.1° | 177.5° |
| C27 | C26 | C25 | C24 | 180.0° | 178.4° |
| C27 | C26 | C25 | H8 | 0.0° | 1.6° |
| N2 | C21 | C26 | C22 | 176.7° | 177.4° |
| N2 | C21 | C26 | C25 | 179.0° | 175.3° |
| C21 | N2 | C29 | C7 | 154.8° | 120.0° |
| C21 | N2 | C29 | C32 | 36.4° | 120.0° |
| N2 | C21 | C22 | C23 | 179.2° | 175.9° |
| N2 | C21 | C22 | H11 | 0.8° | 4.1° |
| C21 | N2 | C29 | H12 | 83.9° | 0.0° |
| C29 | N2 | C21 | C26 | 133.2° | 120.4° |
| N2 | C29 | C7 | C32 | 120.1° | 120.0° |
| N2 | C29 | C7 | H12 | 121.7° | 120.0° |
| C29 | N2 | C21 | C22 | 50.1° | 62.2° |
| N2 | C29 | C32 | H12 | 120.8° | 120.0° |
| N2 | C29 | C32 | C31 | 175.1° | 65.0° |
| N2 | C29 | C32 | H26 | 64.9° | 175.0° |
| N2 | C29 | C32 | H27 | 55.0° | 55.0° |
| N2 | C29 | C7 | H44 | 180.0° | 60.0° |
| N2 | C29 | C7 | H45 | 60.0° | 180.0° |
| N2 | C29 | C7 | H46 | 60.0° | 60.0° |
| C21 | C26 | C25 | C24 | 1.2° | 1.2° |
| C26 | C21 | C22 | C23 | 2.4° | 1.5° |
| C21 | C26 | C25 | H8 | 178.8° | 178.7° |
| C26 | C21 | C22 | H11 | 177.7° | 178.5° |
| C25 | C26 | C21 | C22 | 2.3° | 2.1° |
| C26 | C25 | C24 | H8 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.3° | 0.3° |
| C26 | C25 | C24 | H9 | 179.7° | 179.9° |
| C7 | C29 | C32 | H12 | 118.2° | 120.0° |
| C7 | C29 | C32 | C31 | 64.0° | 175.0° |
| C7 | C29 | C32 | H26 | 56.1° | 55.0° |
| C7 | C29 | C32 | H27 | 176.0° | 65.0° |
| C29 | C7 | H44 | H45 | 120.0° | 120.0° |
| C29 | C7 | H44 | H46 | 120.0° | 120.0° |
| C29 | C7 | H45 | H46 | 120.0° | 120.0° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.4° | 0.0° |
| C21 | C22 | C23 | H10 | 178.6° | 180.0° |
| C25 | C24 | C23 | C22 | 0.3° | 0.9° |
| C25 | C24 | C23 | H9 | 180.0° | 179.9° |
| C25 | C24 | C23 | H10 | 179.6° | 179.2° |
| C29 | C32 | C31 | H26 | 120.0° | 120.0° |
| C29 | C32 | C31 | H27 | 120.0° | 120.0° |
| C29 | C32 | C31 | H23 | 180.0° | 60.0° |
| C29 | C32 | C31 | H24 | 60.0° | 180.0° |
| C29 | C32 | C31 | H25 | 60.0° | 60.0° |
| C29 | C32 | H26 | H27 | 119.9° | 120.0° |
| C32 | C29 | C7 | H44 | 59.9° | 60.0° |
| C32 | C29 | C7 | H45 | 179.9° | 60.0° |
| C32 | C29 | C7 | H46 | 60.1° | 180.0° |
| C22 | C23 | C24 | H10 | 180.0° | 179.9° |
| C22 | C23 | C24 | H9 | 179.7° | 179.2° |
| C23 | C24 | C25 | H8 | 179.7° | 179.8° |
| C24 | C23 | C22 | H11 | 178.6° | 180.0° |
| C31 | C32 | C29 | H12 | 54.3° | 55.1° |
| C32 | C31 | H23 | H24 | 120.0° | 120.0° |
| C32 | C31 | H23 | H25 | 120.0° | 120.0° |
| C32 | C31 | H24 | H25 | 120.0° | 120.0° |
| C31 | C32 | H26 | H27 | 120.0° | 120.0° |
| H2 | C15 | C16 | H3 | 1.0° | 0.0° |
| H4 | C28 | H5 | H6 | 120.0° | 120.0° |
| H8 | C25 | C24 | H9 | 0.3° | 0.1° |
| H9 | C24 | C23 | H10 | 0.4° | 0.7° |
| H10 | C23 | C22 | H11 | 1.4° | 0.1° |
| H12 | C29 | C32 | H26 | 174.3° | 65.0° |
| H12 | C29 | C32 | H27 | 65.8° | 175.0° |
| H12 | C29 | C7 | H44 | 58.3° | 180.0° |
| H12 | C29 | C7 | H45 | 61.7° | 60.0° |
| H12 | C29 | C7 | H46 | 178.3° | 60.0° |
| H14 | C2 | C1 | H16 | 60.2° | 174.9° |
| H14 | C2 | C1 | H17 | 58.8° | 54.8° |
| H15 | C2 | C1 | H16 | 60.2° | 54.4° |
| H15 | C2 | C1 | H17 | 179.2° | 65.6° |
| H16 | C1 | C | H22 | 40.0° | 178.6° |
| H17 | C1 | C | H22 | 159.0° | 61.3° |
| H18 | C3 | C4 | H20 | 68.7° | 65.6° |
| H18 | C3 | C4 | H21 | 171.4° | 54.5° |
| H19 | C3 | C4 | H20 | 52.4° | 54.6° |
| H19 | C3 | C4 | H21 | 67.4° | 174.7° |
| H20 | C4 | C | H22 | 96.5° | 61.2° |
| H21 | C4 | C | H22 | 23.3° | 178.6° |
| H23 | C31 | H24 | H25 | 120.0° | 120.0° |
| H23 | C31 | C32 | H26 | 60.0° | 60.0° |
| H23 | C31 | C32 | H27 | 60.0° | 180.0° |
| H24 | C31 | C32 | H26 | 180.0° | 60.0° |
| H24 | C31 | C32 | H27 | 60.0° | 60.0° |
| H25 | C31 | C32 | H26 | 60.0° | 180.0° |
| H25 | C31 | C32 | H27 | 180.0° | 60.0° |
| H28 | C5 | H29 | H30 | 120.0° | 120.0° |
| H32 | C30 | C33 | H34 | 62.0° | 58.4° |
| H32 | C30 | C33 | H35 | 57.6° | 178.4° |
| H33 | C30 | C33 | H34 | 57.7° | 61.6° |
| H33 | C30 | C33 | H35 | 177.4° | 58.4° |
| H37 | C35 | C36 | H39 | 60.1° | 61.6° |
| H37 | C35 | C36 | H40 | 179.9° | 58.4° |
| H38 | C35 | C36 | H39 | 59.7° | 58.5° |
| H38 | C35 | C36 | H40 | 60.3° | 178.5° |
| H41 | C37 | H42 | H43 | 120.0° | 120.0° |
| H44 | C7 | H45 | H46 | 120.0° | 120.0° |
