FTW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| C9 | C4 | sing | 1.42Å | 1.43Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.44Å | Aromatic |
| C12 | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| C19 | O2 | sing | 1.43Å | 1.41Å | |
| C19 | C16 | sing | 1.53Å | 1.57Å | |
| C1 | O1 | doub | 1.22Å | 1.21Å | |
| C1 | C13 | sing | 1.48Å | 1.48Å | |
| N2 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.41Å | Aromatic |
| C28 | O3 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C15 | N4 | sing | 1.47Å | 1.44Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | N3 | sing | 1.47Å | 1.53Å | |
| C16 | N4 | sing | 1.47Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| N3 | C20 | sing | 1.34Å | 1.39Å | Aromatic |
| O3 | C27 | sing | 1.36Å | 1.36Å | |
| C21 | C20 | doub | 1.36Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.50Å | 1.51Å | |
| C20 | C36 | sing | 1.51Å | 1.49Å | |
| C26 | C27 | doub | 1.37Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C29 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | N5 | sing | 1.47Å | 1.46Å | |
| C25 | C24 | doub | 1.36Å | 1.36Å | Aromatic |
| C36 | C35 | sing | 1.54Å | 1.52Å | |
| C29 | C34 | doub | 1.40Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.42Å | 1.43Å | Aromatic |
| C34 | C33 | sing | 1.36Å | 1.35Å | Aromatic |
| C35 | N5 | sing | 1.47Å | 1.50Å | |
| N5 | C23 | sing | 1.47Å | 1.48Å | |
| C24 | C30 | sing | 1.41Å | 1.45Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | doub | 1.40Å | 1.42Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | H15 | sing | 1.01Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.08Å | 1.08Å | |
| C32 | H37 | sing | 1.08Å | 1.08Å | |
| C33 | H38 | sing | 1.08Å | 1.08Å | |
| C34 | H39 | sing | 1.08Å | 1.08Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 121.0° | 119.7° |
| C8 | C7 | C6 | 120.4° | 121.0° |
| C7 | C8 | H1 | 119.5° | 120.2° |
| C8 | C7 | H7 | 119.8° | 119.6° |
| C8 | C9 | C10 | 122.6° | 121.3° |
| C8 | C9 | C4 | 118.8° | 119.4° |
| C9 | C8 | H1 | 119.5° | 120.2° |
| C7 | C6 | C5 | 120.8° | 121.0° |
| C7 | C6 | H3 | 119.6° | 119.5° |
| C6 | C7 | H7 | 119.8° | 119.5° |
| C9 | C10 | C11 | 120.7° | 119.7° |
| C10 | C9 | C4 | 118.7° | 119.4° |
| C9 | C10 | H8 | 119.6° | 120.2° |
| C10 | C11 | C12 | 120.9° | 120.9° |
| C11 | C10 | H8 | 119.6° | 120.1° |
| C10 | C11 | H9 | 119.5° | 119.5° |
| C9 | C4 | C5 | 118.0° | 119.4° |
| C9 | C4 | C3 | 119.0° | 119.4° |
| C6 | C5 | C4 | 121.0° | 119.7° |
| C6 | C5 | H2 | 119.5° | 120.2° |
| C5 | C6 | H3 | 119.6° | 119.5° |
| C11 | C12 | C3 | 122.0° | 121.0° |
| C12 | C11 | H9 | 119.5° | 119.5° |
| C11 | C12 | H10 | 119.0° | 119.5° |
| C5 | C4 | C3 | 123.0° | 121.3° |
| C4 | C5 | H2 | 119.5° | 120.2° |
| C4 | C3 | C12 | 118.7° | 119.6° |
| C4 | C3 | C2 | 119.2° | 120.2° |
| C12 | C3 | C2 | 122.1° | 120.2° |
| C3 | C12 | H10 | 119.0° | 119.5° |
| C3 | C2 | N1 | 112.1° | 109.5° |
| C3 | C2 | H5 | 108.8° | 109.4° |
| C3 | C2 | H6 | 108.8° | 109.5° |
| C2 | N1 | C1 | 123.1° | 120.0° |
| C2 | N1 | H4 | 118.5° | 120.0° |
| N1 | C2 | H5 | 108.8° | 109.5° |
| N1 | C2 | H6 | 108.8° | 109.5° |
| N1 | C1 | O1 | 124.5° | 120.0° |
| N1 | C1 | C13 | 114.9° | 120.0° |
| C1 | N1 | H4 | 118.5° | 120.0° |
| O2 | C19 | C16 | 113.0° | 109.5° |
| O2 | C19 | H23 | 108.6° | 109.5° |
| O2 | C19 | H24 | 108.6° | 109.5° |
| C19 | O2 | H25 | 109.5° | 114.0° |
| C19 | C16 | C18 | 108.2° | 109.5° |
| C19 | C16 | N4 | 114.8° | 109.5° |
| C19 | C16 | C17 | 110.1° | 109.4° |
| C16 | C19 | H23 | 108.6° | 109.4° |
| C16 | C19 | H24 | 108.6° | 109.5° |
| O1 | C1 | C13 | 120.7° | 120.0° |
| C1 | C13 | N2 | 122.3° | 126.7° |
| C1 | C13 | C21 | 126.0° | 126.7° |
| C13 | N2 | N3 | 105.9° | 110.2° |
| N2 | C13 | C21 | 111.6° | 106.6° |
| N2 | N3 | C14 | 120.5° | 125.0° |
| N2 | N3 | C20 | 109.1° | 110.0° |
| C28 | O3 | C27 | 119.2° | 117.0° |
| O3 | C28 | H33 | 109.5° | 109.4° |
| O3 | C28 | H34 | 109.5° | 109.5° |
| O3 | C28 | H35 | 109.5° | 109.5° |
| C14 | C15 | N4 | 108.3° | 109.5° |
| C15 | C14 | N3 | 112.1° | 109.5° |
| C15 | C14 | H11 | 108.8° | 109.5° |
| C15 | C14 | H12 | 108.8° | 109.5° |
| C14 | C15 | H13 | 109.8° | 109.5° |
| C14 | C15 | H14 | 109.7° | 109.5° |
| C15 | N4 | C16 | 116.1° | 111.0° |
| N4 | C15 | H13 | 109.8° | 109.5° |
| N4 | C15 | H14 | 109.8° | 109.5° |
| C15 | N4 | H15 | 107.8° | 111.0° |
| C18 | C16 | N4 | 111.6° | 109.5° |
| C18 | C16 | C17 | 109.4° | 109.5° |
| C16 | C18 | H20 | 109.5° | 109.5° |
| C16 | C18 | H21 | 109.5° | 109.5° |
| C16 | C18 | H22 | 109.5° | 109.4° |
| C13 | C21 | C20 | 105.3° | 105.9° |
| C13 | C21 | C22 | 134.8° | 130.1° |
| C14 | N3 | C20 | 130.3° | 125.0° |
| N3 | C14 | H11 | 108.8° | 109.4° |
| N3 | C14 | H12 | 108.8° | 109.5° |
| N4 | C16 | C17 | 102.6° | 109.5° |
| C16 | N4 | H15 | 107.8° | 111.0° |
| C16 | C17 | H17 | 109.5° | 109.4° |
| C16 | C17 | H18 | 109.5° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| N3 | C20 | C21 | 108.0° | 107.3° |
| N3 | C20 | C36 | 125.3° | 129.8° |
| O3 | C27 | C26 | 125.7° | 120.2° |
| O3 | C27 | C29 | 113.9° | 120.2° |
| C20 | C21 | C22 | 119.9° | 123.9° |
| C21 | C20 | C36 | 126.7° | 122.9° |
| C21 | C22 | N5 | 109.6° | 108.2° |
| C21 | C22 | H26 | 109.4° | 109.7° |
| C21 | C22 | H27 | 109.4° | 109.7° |
| C20 | C36 | C35 | 107.4° | 107.8° |
| C20 | C36 | H42 | 110.0° | 109.8° |
| C20 | C36 | H43 | 110.0° | 109.8° |
| C27 | C26 | C25 | 119.9° | 120.9° |
| C26 | C27 | C29 | 120.4° | 119.5° |
| C27 | C26 | H32 | 120.1° | 119.6° |
| C26 | C25 | C24 | 123.2° | 121.1° |
| C26 | C25 | H31 | 118.4° | 119.5° |
| C25 | C26 | H32 | 120.0° | 119.5° |
| C27 | C29 | C34 | 122.1° | 121.3° |
| C27 | C29 | C30 | 118.9° | 119.4° |
| C22 | N5 | C35 | 112.2° | 111.4° |
| C22 | N5 | C23 | 111.5° | 111.0° |
| N5 | C22 | H26 | 109.4° | 109.7° |
| N5 | C22 | H27 | 109.4° | 109.7° |
| C25 | C24 | C30 | 118.7° | 119.8° |
| C25 | C24 | C23 | 120.2° | 120.1° |
| C24 | C25 | H31 | 118.4° | 119.5° |
| C36 | C35 | N5 | 110.6° | 109.8° |
| C36 | C35 | H40 | 109.2° | 109.4° |
| C36 | C35 | H41 | 109.2° | 109.4° |
| C35 | C36 | H42 | 110.0° | 109.8° |
| C35 | C36 | H43 | 110.0° | 109.8° |
| C34 | C29 | C30 | 119.0° | 119.4° |
| C29 | C34 | C33 | 121.1° | 119.7° |
| C29 | C34 | H39 | 119.5° | 120.2° |
| C29 | C30 | C24 | 118.8° | 119.3° |
| C29 | C30 | C31 | 117.7° | 119.4° |
| C34 | C33 | C32 | 120.6° | 121.0° |
| C34 | C33 | H38 | 119.7° | 119.5° |
| C33 | C34 | H39 | 119.5° | 120.1° |
| C35 | N5 | C23 | 111.8° | 111.0° |
| N5 | C35 | H40 | 109.2° | 109.4° |
| N5 | C35 | H41 | 109.2° | 109.4° |
| N5 | C23 | C24 | 116.5° | 109.5° |
| N5 | C23 | H29 | 107.7° | 109.5° |
| N5 | C23 | H30 | 107.7° | 109.5° |
| C30 | C24 | C23 | 121.0° | 120.1° |
| C24 | C30 | C31 | 123.5° | 121.3° |
| C24 | C23 | H29 | 107.7° | 109.5° |
| C24 | C23 | H30 | 107.7° | 109.5° |
| C30 | C31 | C32 | 120.8° | 119.6° |
| C30 | C31 | H36 | 119.6° | 120.2° |
| C33 | C32 | C31 | 120.8° | 120.9° |
| C33 | C32 | H37 | 119.6° | 119.5° |
| C32 | C33 | H38 | 119.7° | 119.5° |
| C32 | C31 | H36 | 119.6° | 120.1° |
| C31 | C32 | H37 | 119.6° | 119.5° |
| H5 | C2 | H6 | 109.4° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H17 | C17 | H19 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H20 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.4° | 109.4° |
| H23 | C19 | H24 | 109.4° | 109.5° |
| H26 | C22 | H27 | 109.4° | 109.7° |
| H29 | C23 | H30 | 109.4° | 109.4° |
| H33 | C28 | H34 | 109.5° | 109.4° |
| H33 | C28 | H35 | 109.4° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H40 | C35 | H41 | 109.5° | 109.4° |
| H42 | C36 | H43 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H1 | 180.0° | 179.7° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 178.3° | 180.0° |
| C7 | C8 | C9 | C4 | 0.4° | 0.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C8 | C7 | C6 | H3 | 179.7° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C8 | C9 | C10 | C4 | 178.7° | 180.0° |
| C8 | C9 | C10 | C11 | 178.9° | 180.0° |
| C8 | C9 | C4 | C5 | 0.7° | 0.0° |
| C8 | C9 | C4 | C3 | 179.6° | 179.9° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C9 | C10 | H8 | 1.1° | 0.1° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C6 | C7 | C8 | H1 | 179.9° | 179.7° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C9 | C10 | C11 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C9 | C4 | C5 | 178.1° | 180.0° |
| C10 | C9 | C4 | C3 | 0.8° | 0.0° |
| C10 | C9 | C8 | H1 | 1.7° | 0.3° |
| C9 | C10 | C11 | H9 | 179.8° | 180.0° |
| C11 | C10 | C9 | C4 | 0.2° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C10 | C11 | C12 | C3 | 0.0° | 0.1° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C9 | C4 | C5 | C6 | 0.5° | 0.0° |
| C9 | C4 | C5 | C3 | 178.9° | 180.0° |
| C9 | C4 | C3 | C12 | 1.0° | 0.1° |
| C9 | C4 | C3 | C2 | 178.2° | 180.0° |
| C4 | C9 | C8 | H1 | 179.7° | 179.7° |
| C9 | C4 | C5 | H2 | 179.5° | 180.0° |
| C4 | C9 | C10 | H8 | 179.8° | 179.9° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 179.3° | 179.9° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C11 | C12 | C3 | C4 | 0.6° | 0.1° |
| C11 | C12 | C3 | H10 | 180.0° | 179.9° |
| C11 | C12 | C3 | C2 | 178.6° | 180.0° |
| C12 | C11 | C10 | H8 | 179.8° | 179.9° |
| C5 | C4 | C3 | C12 | 177.8° | 180.0° |
| C5 | C4 | C3 | C2 | 3.0° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C3 | C12 | C2 | 179.2° | 179.9° |
| C4 | C3 | C2 | N1 | 165.4° | 79.9° |
| C3 | C4 | C5 | H2 | 0.6° | 0.0° |
| C4 | C3 | C2 | H5 | 45.0° | 40.1° |
| C4 | C3 | C2 | H6 | 74.2° | 160.0° |
| C4 | C3 | C12 | H10 | 179.3° | 180.0° |
| C12 | C3 | C2 | N1 | 13.8° | 100.0° |
| C12 | C3 | C2 | H5 | 134.2° | 140.0° |
| C12 | C3 | C2 | H6 | 106.6° | 20.1° |
| C3 | C12 | C11 | H9 | 180.0° | 180.0° |
| C3 | C2 | N1 | H5 | 120.4° | 120.0° |
| C3 | C2 | N1 | H6 | 120.4° | 120.0° |
| C3 | C2 | N1 | C1 | 89.3° | 180.0° |
| C3 | C2 | N1 | H4 | 90.6° | 0.0° |
| C3 | C2 | H5 | H6 | 118.8° | 120.0° |
| C2 | C3 | C12 | H10 | 1.5° | 0.1° |
| C2 | N1 | C1 | H4 | 180.0° | 180.0° |
| C2 | N1 | C1 | O1 | 2.5° | 0.0° |
| C2 | N1 | C1 | C13 | 179.4° | 180.0° |
| N1 | C2 | H5 | H6 | 118.8° | 120.0° |
| N1 | C1 | O1 | C13 | 178.1° | 180.0° |
| N1 | C1 | C13 | N2 | 4.6° | 0.0° |
| N1 | C1 | C13 | C21 | 173.6° | 180.0° |
| C1 | N1 | C2 | H5 | 150.3° | 60.0° |
| C1 | N1 | C2 | H6 | 31.1° | 60.0° |
| O2 | C19 | C16 | H23 | 120.5° | 120.0° |
| O2 | C19 | C16 | H24 | 120.6° | 120.0° |
| O2 | C19 | C16 | C18 | 178.8° | 60.0° |
| O2 | C19 | C16 | N4 | 55.9° | 180.0° |
| O2 | C19 | C16 | C17 | 59.3° | 60.0° |
| O2 | C19 | H23 | H24 | 118.4° | 120.0° |
| C19 | C16 | N4 | C15 | 36.1° | 180.0° |
| C19 | C16 | C18 | N4 | 127.2° | 120.0° |
| C19 | C16 | C18 | C17 | 119.9° | 120.0° |
| C19 | C16 | N4 | C17 | 119.4° | 120.0° |
| C19 | C16 | N4 | H15 | 157.1° | 56.1° |
| C19 | C16 | C17 | H17 | 180.0° | 180.0° |
| C19 | C16 | C17 | H18 | 60.0° | 60.0° |
| C19 | C16 | C17 | H19 | 60.0° | 60.0° |
| C19 | C16 | C18 | H20 | 180.0° | 60.0° |
| C19 | C16 | C18 | H21 | 60.0° | 60.0° |
| C19 | C16 | C18 | H22 | 60.0° | 179.9° |
| C16 | C19 | H23 | H24 | 118.4° | 120.0° |
| C16 | C19 | O2 | H25 | 180.0° | 180.0° |
| O1 | C1 | C13 | N2 | 177.2° | 180.0° |
| O1 | C1 | C13 | C21 | 4.7° | 0.1° |
| O1 | C1 | N1 | H4 | 177.6° | 180.0° |
| C1 | C13 | N2 | C21 | 178.4° | 180.0° |
| C1 | C13 | N2 | N3 | 177.9° | 180.0° |
| C1 | C13 | C21 | C20 | 177.6° | 179.9° |
| C1 | C13 | C21 | C22 | 4.3° | 0.3° |
| C13 | C1 | N1 | H4 | 0.6° | 0.0° |
| C13 | N2 | N3 | C14 | 179.0° | 179.7° |
| C13 | N2 | N3 | C20 | 0.1° | 0.1° |
| N2 | C13 | C21 | C20 | 0.7° | 0.1° |
| N2 | C13 | C21 | C22 | 177.4° | 179.8° |
| N2 | N3 | C14 | C15 | 22.4° | 90.3° |
| N3 | N2 | C13 | C21 | 0.5° | 0.0° |
| N2 | N3 | C14 | C20 | 178.9° | 179.8° |
| N2 | N3 | C20 | C21 | 0.3° | 0.2° |
| N2 | N3 | C20 | C36 | 179.1° | 179.7° |
| N2 | N3 | C14 | H11 | 98.0° | 29.8° |
| N2 | N3 | C14 | H12 | 142.7° | 149.7° |
| C28 | O3 | C27 | C26 | 3.4° | 0.1° |
| C28 | O3 | C27 | C29 | 178.4° | 180.0° |
| O3 | C28 | H33 | H34 | 120.0° | 119.9° |
| O3 | C28 | H33 | H35 | 120.0° | 120.0° |
| O3 | C28 | H34 | H35 | 120.0° | 120.0° |
| C14 | C15 | N4 | H13 | 119.8° | 120.0° |
| C14 | C15 | N4 | H14 | 119.8° | 120.0° |
| C15 | C14 | N3 | H11 | 120.4° | 120.0° |
| C15 | C14 | N3 | H12 | 120.4° | 120.0° |
| C14 | C15 | N4 | C16 | 169.4° | 180.0° |
| C15 | C14 | N3 | C20 | 156.6° | 90.0° |
| C15 | C14 | H11 | H12 | 118.8° | 120.0° |
| C14 | C15 | H13 | H14 | 120.5° | 120.0° |
| C14 | C15 | N4 | H15 | 48.5° | 56.0° |
| C15 | N4 | C16 | C18 | 87.4° | 60.0° |
| N4 | C15 | C14 | N3 | 76.7° | 180.0° |
| C15 | N4 | C16 | H15 | 120.9° | 123.9° |
| C15 | N4 | C16 | C17 | 155.5° | 60.0° |
| N4 | C15 | C14 | H11 | 162.9° | 60.0° |
| N4 | C15 | C14 | H12 | 43.7° | 60.0° |
| N4 | C15 | H13 | H14 | 120.6° | 120.0° |
| C18 | C16 | N4 | C17 | 117.1° | 120.0° |
| C18 | C16 | N4 | H15 | 33.5° | 63.9° |
| C18 | C16 | C17 | H17 | 61.2° | 60.0° |
| C18 | C16 | C17 | H18 | 178.8° | 59.9° |
| C18 | C16 | C17 | H19 | 58.8° | 180.0° |
| C16 | C18 | H20 | H21 | 120.0° | 120.0° |
| C16 | C18 | H20 | H22 | 120.0° | 120.0° |
| C16 | C18 | H21 | H22 | 120.0° | 119.9° |
| C18 | C16 | C19 | H23 | 58.2° | 60.0° |
| C18 | C16 | C19 | H24 | 60.7° | 180.0° |
| C13 | C21 | C20 | N3 | 0.6° | 0.2° |
| C13 | C21 | C20 | C22 | 178.4° | 179.8° |
| C13 | C21 | C20 | C36 | 178.8° | 179.7° |
| C13 | C21 | C22 | N5 | 163.0° | 163.8° |
| C13 | C21 | C22 | H26 | 43.0° | 44.1° |
| C13 | C21 | C22 | H27 | 77.0° | 76.5° |
| C14 | N3 | C20 | C21 | 179.3° | 179.6° |
| C14 | N3 | C20 | C36 | 0.0° | 0.5° |
| N3 | C14 | H11 | H12 | 118.8° | 120.0° |
| N3 | C14 | C15 | H13 | 163.5° | 60.0° |
| N3 | C14 | C15 | H14 | 43.1° | 60.0° |
| C16 | N4 | C15 | H13 | 70.8° | 60.0° |
| C16 | N4 | C15 | H14 | 49.6° | 60.0° |
| N4 | C16 | C17 | H17 | 57.4° | 60.0° |
| N4 | C16 | C17 | H18 | 62.6° | 180.0° |
| N4 | C16 | C17 | H19 | 177.4° | 60.0° |
| N4 | C16 | C18 | H20 | 52.8° | 60.0° |
| N4 | C16 | C18 | H21 | 172.8° | 179.9° |
| N4 | C16 | C18 | H22 | 67.2° | 60.0° |
| N4 | C16 | C19 | H23 | 176.4° | 60.0° |
| N4 | C16 | C19 | H24 | 64.7° | 60.0° |
| C17 | C16 | N4 | H15 | 83.6° | 176.1° |
| C16 | C17 | H17 | H18 | 120.0° | 120.0° |
| C16 | C17 | H17 | H19 | 120.0° | 120.0° |
| C16 | C17 | H18 | H19 | 120.0° | 120.1° |
| C17 | C16 | C18 | H20 | 60.1° | 180.0° |
| C17 | C16 | C18 | H21 | 59.9° | 59.9° |
| C17 | C16 | C18 | H22 | 179.9° | 60.0° |
| C17 | C16 | C19 | H23 | 61.3° | 180.0° |
| C17 | C16 | C19 | H24 | 179.8° | 60.0° |
| N3 | C20 | C21 | C36 | 179.3° | 179.9° |
| N3 | C20 | C21 | C22 | 177.8° | 179.7° |
| N3 | C20 | C36 | C35 | 164.1° | 164.0° |
| C20 | N3 | C14 | H11 | 83.0° | 150.0° |
| C20 | N3 | C14 | H12 | 36.2° | 30.1° |
| N3 | C20 | C36 | H42 | 44.4° | 44.5° |
| N3 | C20 | C36 | H43 | 76.2° | 76.3° |
| O3 | C27 | C26 | C29 | 178.1° | 180.0° |
| O3 | C27 | C26 | C25 | 179.6° | 180.0° |
| O3 | C27 | C29 | C34 | 1.3° | 0.0° |
| O3 | C27 | C29 | C30 | 178.6° | 180.0° |
| O3 | C27 | C26 | H32 | 0.3° | 0.0° |
| C27 | O3 | C28 | H33 | 180.0° | 60.0° |
| C27 | O3 | C28 | H34 | 60.0° | 59.9° |
| C27 | O3 | C28 | H35 | 60.0° | 179.9° |
| C20 | C21 | C22 | N5 | 19.2° | 16.1° |
| C21 | C20 | C36 | C35 | 16.7° | 15.9° |
| C20 | C21 | C22 | H26 | 139.2° | 135.7° |
| C20 | C21 | C22 | H27 | 100.8° | 103.7° |
| C21 | C20 | C36 | H42 | 136.4° | 135.4° |
| C21 | C20 | C36 | H43 | 103.0° | 103.8° |
| C22 | C21 | C20 | C36 | 2.8° | 0.4° |
| C21 | C22 | N5 | H26 | 120.0° | 119.7° |
| C21 | C22 | N5 | H27 | 120.0° | 119.7° |
| C21 | C22 | N5 | C35 | 51.3° | 50.9° |
| C21 | C22 | N5 | C23 | 177.6° | 175.1° |
| C21 | C22 | H26 | H27 | 119.9° | 120.7° |
| C20 | C36 | C35 | H42 | 119.7° | 119.6° |
| C20 | C36 | C35 | H43 | 119.7° | 119.6° |
| C20 | C36 | C35 | N5 | 46.6° | 49.3° |
| C20 | C36 | C35 | H40 | 73.5° | 169.4° |
| C20 | C36 | C35 | H41 | 166.8° | 70.8° |
| C20 | C36 | H42 | H43 | 121.0° | 120.8° |
| C27 | C26 | C25 | H32 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.1° | 0.1° |
| C26 | C27 | C29 | C34 | 179.6° | 180.0° |
| C26 | C27 | C29 | C30 | 0.3° | 0.0° |
| C27 | C26 | C25 | H31 | 179.9° | 180.0° |
| C25 | C26 | C27 | C29 | 1.5° | 0.0° |
| C26 | C25 | C24 | H31 | 180.0° | 180.0° |
| C26 | C25 | C24 | C30 | 2.4° | 0.0° |
| C26 | C25 | C24 | C23 | 174.5° | 179.7° |
| C27 | C29 | C34 | C30 | 179.9° | 180.0° |
| C27 | C29 | C34 | C33 | 179.9° | 180.0° |
| C27 | C29 | C30 | C24 | 2.2° | 0.0° |
| C27 | C29 | C30 | C31 | 178.4° | 179.7° |
| C29 | C27 | C26 | H32 | 178.4° | 179.9° |
| C27 | C29 | C34 | H39 | 0.0° | 0.0° |
| C22 | N5 | C35 | C36 | 68.9° | 71.4° |
| C22 | N5 | C35 | C23 | 126.2° | 124.3° |
| C22 | N5 | C23 | C24 | 68.2° | 170.0° |
| N5 | C22 | H26 | H27 | 119.9° | 120.6° |
| C22 | N5 | C23 | H29 | 170.7° | 50.0° |
| C22 | N5 | C23 | H30 | 52.8° | 69.9° |
| C22 | N5 | C35 | H40 | 51.2° | 168.6° |
| C22 | N5 | C35 | H41 | 170.9° | 48.7° |
| C25 | C24 | C30 | C29 | 3.6° | 0.0° |
| C25 | C24 | C23 | N5 | 88.8° | 99.8° |
| C25 | C24 | C30 | C23 | 176.9° | 179.8° |
| C25 | C24 | C30 | C31 | 177.1° | 179.8° |
| C25 | C24 | C23 | H29 | 150.2° | 140.2° |
| C25 | C24 | C23 | H30 | 32.3° | 20.3° |
| C24 | C25 | C26 | H32 | 179.8° | 180.0° |
| C36 | C35 | N5 | H40 | 120.2° | 120.1° |
| C36 | C35 | N5 | H41 | 120.2° | 120.1° |
| C36 | C35 | N5 | C23 | 164.9° | 164.4° |
| C36 | C35 | H40 | H41 | 119.5° | 119.8° |
| C35 | C36 | H42 | H43 | 120.9° | 120.8° |
| C29 | C34 | C33 | H39 | 180.0° | 180.0° |
| C34 | C29 | C30 | C24 | 177.8° | 180.0° |
| C34 | C29 | C30 | C31 | 1.5° | 0.2° |
| C29 | C34 | C33 | C32 | 0.6° | 0.3° |
| C29 | C34 | C33 | H38 | 179.4° | 180.0° |
| C30 | C29 | C34 | C33 | 0.1° | 0.1° |
| C29 | C30 | C24 | C31 | 179.3° | 179.8° |
| C29 | C30 | C24 | C23 | 173.3° | 179.8° |
| C29 | C30 | C31 | C32 | 2.8° | 0.3° |
| C29 | C30 | C31 | H36 | 177.2° | 179.8° |
| C30 | C29 | C34 | H39 | 179.9° | 180.0° |
| C34 | C33 | C32 | H38 | 180.0° | 179.7° |
| C34 | C33 | C32 | C31 | 0.7° | 0.3° |
| C34 | C33 | C32 | H37 | 179.3° | 179.7° |
| C35 | N5 | C23 | C24 | 58.3° | 65.4° |
| C35 | N5 | C22 | H26 | 171.3° | 170.6° |
| C35 | N5 | C22 | H27 | 68.8° | 68.8° |
| C35 | N5 | C23 | H29 | 62.7° | 174.5° |
| C35 | N5 | C23 | H30 | 179.3° | 54.6° |
| N5 | C35 | H40 | H41 | 119.5° | 119.9° |
| N5 | C35 | C36 | H42 | 166.3° | 168.9° |
| N5 | C35 | C36 | H43 | 73.1° | 70.3° |
| N5 | C23 | C24 | C30 | 88.1° | 80.0° |
| N5 | C23 | C24 | H29 | 121.1° | 120.0° |
| N5 | C23 | C24 | H30 | 121.0° | 120.1° |
| C23 | N5 | C22 | H26 | 62.4° | 65.2° |
| C23 | N5 | C22 | H27 | 57.6° | 55.4° |
| N5 | C23 | H29 | H30 | 116.8° | 120.0° |
| C23 | N5 | C35 | H40 | 74.9° | 44.3° |
| C23 | N5 | C35 | H41 | 44.7° | 75.6° |
| C24 | C30 | C31 | C32 | 176.5° | 180.0° |
| C30 | C24 | C23 | H29 | 33.0° | 40.0° |
| C30 | C24 | C23 | H30 | 150.9° | 160.0° |
| C30 | C24 | C25 | H31 | 177.5° | 180.0° |
| C24 | C30 | C31 | H36 | 3.5° | 0.0° |
| C23 | C24 | C30 | C31 | 6.0° | 0.0° |
| C24 | C23 | H29 | H30 | 116.8° | 120.0° |
| C23 | C24 | C25 | H31 | 5.6° | 0.2° |
| C30 | C31 | C32 | C33 | 2.4° | 0.0° |
| C30 | C31 | C32 | H36 | 180.0° | 180.0° |
| C30 | C31 | C32 | H37 | 177.6° | 180.0° |
| C33 | C32 | C31 | H37 | 180.0° | 180.0° |
| C33 | C32 | C31 | H36 | 177.6° | 180.0° |
| C32 | C33 | C34 | H39 | 179.5° | 179.7° |
| C31 | C32 | C33 | H38 | 179.3° | 180.0° |
| H1 | C8 | C7 | H7 | 0.1° | 0.3° |
| H2 | C5 | C6 | H3 | 0.0° | 0.0° |
| H3 | C6 | C7 | H7 | 0.3° | 0.0° |
| H4 | N1 | C2 | H5 | 29.8° | 120.0° |
| H4 | N1 | C2 | H6 | 149.0° | 120.0° |
| H8 | C10 | C11 | H9 | 0.2° | 0.0° |
| H9 | C11 | C12 | H10 | 0.0° | 0.1° |
| H11 | C14 | C15 | H13 | 43.1° | 179.9° |
| H11 | C14 | C15 | H14 | 77.3° | 60.0° |
| H12 | C14 | C15 | H13 | 76.1° | 60.1° |
| H12 | C14 | C15 | H14 | 163.5° | 180.0° |
| H13 | C15 | N4 | H15 | 168.3° | 176.1° |
| H14 | C15 | N4 | H15 | 71.3° | 64.0° |
| H17 | C17 | H18 | H19 | 120.0° | 120.0° |
| H20 | C18 | H21 | H22 | 120.0° | 120.0° |
| H23 | C19 | O2 | H25 | 59.5° | 60.0° |
| H24 | C19 | O2 | H25 | 59.5° | 60.0° |
| H31 | C25 | C26 | H32 | 0.1° | 0.1° |
| H33 | C28 | H34 | H35 | 120.0° | 120.0° |
| H36 | C31 | C32 | H37 | 2.4° | 0.1° |
| H37 | C32 | C33 | H38 | 0.7° | 0.0° |
| H38 | C33 | C34 | H39 | 0.6° | 0.0° |
| H40 | C35 | C36 | H42 | 46.1° | 71.1° |
| H40 | C35 | C36 | H43 | 166.8° | 49.7° |
| H41 | C35 | C36 | H42 | 73.5° | 48.8° |
| H41 | C35 | C36 | H43 | 47.1° | 169.6° |
