AB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.48Å | |
| C1 | C37 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.11Å | |
| C1 | H3 | sing | 1.09Å | 1.12Å | |
| C2 | N1 | sing | 1.46Å | 1.51Å | |
| C2 | C37 | sing | 1.53Å | 1.54Å | |
| C2 | H4 | sing | 1.09Å | 1.12Å | |
| C2 | H5 | sing | 1.09Å | 1.12Å | |
| N1 | C3 | sing | 1.34Å | 1.39Å | |
| N1 | C10 | sing | 1.47Å | 1.50Å | |
| C3 | N2 | sing | 1.34Å | 1.36Å | |
| C3 | O1 | doub | 1.22Å | 1.22Å | |
| N2 | H8 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C29 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | H30 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | H31 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | H32 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | H33 | sing | 1.08Å | 1.10Å | |
| C9 | H34 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C13 | sing | 1.53Å | 1.58Å | |
| C10 | H9 | sing | 1.09Å | 1.11Å | |
| C11 | N3 | sing | 1.35Å | 1.37Å | |
| C11 | O2 | doub | 1.21Å | 1.23Å | |
| N3 | C12 | sing | 1.46Å | 1.48Å | |
| N3 | H15 | sing | 0.97Å | 1.02Å | |
| C12 | C22 | sing | 1.53Å | 1.55Å | |
| C12 | C23 | sing | 1.53Å | 1.54Å | |
| C12 | H16 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | H10 | sing | 1.09Å | 1.11Å | |
| C14 | H11 | sing | 1.09Å | 1.12Å | |
| C14 | H12 | sing | 1.09Å | 1.12Å | |
| C14 | H47 | sing | 1.09Å | 1.11Å | |
| C15 | H13 | sing | 1.09Å | 1.12Å | |
| C15 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | H48 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | H20 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H21 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H22 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | H23 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | H19 | sing | 1.08Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.12Å | |
| C22 | H18 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H24 | sing | 1.09Å | 1.12Å | |
| C23 | H25 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | O4 | sing | 1.43Å | 1.41Å | |
| C24 | H26 | sing | 1.09Å | 1.12Å | |
| C25 | N4 | sing | 1.46Å | 1.48Å | |
| C25 | C29 | sing | 1.53Å | 1.56Å | |
| C25 | H27 | sing | 1.09Å | 1.11Å | |
| N4 | C26 | sing | 1.35Å | 1.37Å | |
| N4 | H35 | sing | 0.97Å | 1.02Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | O5 | doub | 1.21Å | 1.24Å | |
| C27 | O3 | sing | 1.43Å | 1.44Å | |
| C27 | H36 | sing | 1.09Å | 1.12Å | |
| C27 | H37 | sing | 1.09Å | 1.11Å | |
| O3 | C28 | sing | 1.36Å | 1.41Å | |
| C28 | C30 | doub | 1.39Å | 1.44Å | Aromatic |
| C28 | C34 | sing | 1.39Å | 1.44Å | Aromatic |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C29 | H28 | sing | 1.09Å | 1.12Å | |
| C29 | H29 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C36 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | H41 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | H42 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | H43 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.51Å | 1.49Å | |
| C35 | H44 | sing | 1.09Å | 1.12Å | |
| C35 | H45 | sing | 1.09Å | 1.11Å | |
| C35 | H46 | sing | 1.09Å | 1.11Å | |
| C36 | H38 | sing | 1.09Å | 1.12Å | |
| C36 | H39 | sing | 1.09Å | 1.11Å | |
| C36 | H40 | sing | 1.09Å | 1.11Å | |
| C37 | H6 | sing | 1.09Å | 1.11Å | |
| C37 | H7 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C37 | 111.8° | 109.1° |
| N2 | C1 | H2 | 111.4° | 109.5° |
| N2 | C1 | H3 | 111.3° | 109.5° |
| C1 | N2 | C3 | 126.2° | 121.4° |
| C1 | N2 | H8 | 121.4° | 119.3° |
| C37 | C1 | H2 | 111.4° | 109.6° |
| C37 | C1 | H3 | 111.3° | 109.5° |
| C1 | C37 | C2 | 109.3° | 108.6° |
| C1 | C37 | H6 | 112.3° | 109.5° |
| C1 | C37 | H7 | 112.3° | 109.6° |
| H2 | C1 | H3 | 99.0° | 109.6° |
| N1 | C2 | C37 | 114.0° | 109.2° |
| N1 | C2 | H4 | 110.5° | 109.5° |
| N1 | C2 | H5 | 110.6° | 109.6° |
| C2 | N1 | C3 | 121.3° | 121.4° |
| C2 | N1 | C10 | 119.8° | 119.3° |
| C37 | C2 | H4 | 110.6° | 109.5° |
| C37 | C2 | H5 | 110.5° | 109.5° |
| C2 | C37 | H6 | 112.3° | 109.7° |
| C2 | C37 | H7 | 112.3° | 109.7° |
| H4 | C2 | H5 | 99.7° | 109.5° |
| C3 | N1 | C10 | 118.9° | 119.3° |
| N1 | C3 | N2 | 118.2° | 122.5° |
| N1 | C3 | O1 | 122.1° | 118.7° |
| N1 | C10 | C11 | 109.2° | 109.5° |
| N1 | C10 | C13 | 111.9° | 109.5° |
| N1 | C10 | H9 | 109.0° | 109.5° |
| N2 | C3 | O1 | 119.7° | 118.7° |
| C3 | N2 | H8 | 112.4° | 119.3° |
| C5 | C4 | C9 | 118.6° | 120.0° |
| C5 | C4 | C29 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.0° |
| C4 | C5 | H30 | 119.5° | 120.0° |
| C9 | C4 | C29 | 121.5° | 120.0° |
| C4 | C9 | C8 | 120.5° | 120.0° |
| C4 | C9 | H34 | 119.9° | 120.0° |
| C4 | C29 | C25 | 114.7° | 109.5° |
| C4 | C29 | H28 | 110.3° | 109.5° |
| C4 | C29 | H29 | 110.3° | 109.5° |
| C6 | C5 | H30 | 119.6° | 120.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C5 | C6 | H31 | 120.3° | 120.0° |
| C7 | C6 | H31 | 119.6° | 120.0° |
| C6 | C7 | C8 | 119.5° | 120.0° |
| C6 | C7 | H32 | 120.1° | 120.0° |
| C8 | C7 | H32 | 120.4° | 120.0° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C7 | C8 | H33 | 119.7° | 120.0° |
| C9 | C8 | H33 | 119.9° | 120.0° |
| C8 | C9 | H34 | 119.6° | 120.0° |
| C11 | C10 | C13 | 112.3° | 109.5° |
| C11 | C10 | H9 | 108.6° | 109.4° |
| C10 | C11 | N3 | 112.7° | 120.1° |
| C10 | C11 | O2 | 121.8° | 120.0° |
| C13 | C10 | H9 | 105.7° | 109.5° |
| C10 | C13 | C14 | 113.5° | 109.5° |
| C10 | C13 | C15 | 110.8° | 109.5° |
| C10 | C13 | H10 | 105.4° | 109.5° |
| N3 | C11 | O2 | 125.5° | 120.0° |
| C11 | N3 | C12 | 124.8° | 120.1° |
| C11 | N3 | H15 | 113.4° | 120.0° |
| C12 | N3 | H15 | 121.8° | 120.0° |
| N3 | C12 | C22 | 110.7° | 109.5° |
| N3 | C12 | C23 | 111.5° | 109.5° |
| N3 | C12 | H16 | 106.3° | 109.4° |
| C22 | C12 | C23 | 106.3° | 109.5° |
| C22 | C12 | H16 | 111.5° | 109.5° |
| C12 | C22 | C20 | 117.8° | 109.5° |
| C12 | C22 | H17 | 109.2° | 109.5° |
| C12 | C22 | H18 | 109.2° | 109.5° |
| C23 | C12 | H16 | 110.7° | 109.4° |
| C12 | C23 | C24 | 119.9° | 109.5° |
| C12 | C23 | H24 | 108.5° | 109.5° |
| C12 | C23 | H25 | 108.5° | 109.5° |
| C14 | C13 | C15 | 108.4° | 109.4° |
| C14 | C13 | H10 | 107.9° | 109.5° |
| C13 | C14 | H11 | 110.8° | 109.5° |
| C13 | C14 | H12 | 113.5° | 109.5° |
| C13 | C14 | H47 | 110.7° | 109.4° |
| C15 | C13 | H10 | 110.7° | 109.5° |
| C13 | C15 | H13 | 111.7° | 109.5° |
| C13 | C15 | H14 | 110.9° | 109.5° |
| C13 | C15 | H48 | 111.7° | 109.5° |
| H11 | C14 | H12 | 110.7° | 109.5° |
| H11 | C14 | H47 | 99.6° | 109.5° |
| H12 | C14 | H47 | 110.8° | 109.5° |
| H13 | C15 | H14 | 111.7° | 109.4° |
| H13 | C15 | H48 | 98.7° | 109.5° |
| H14 | C15 | H48 | 111.7° | 109.4° |
| C17 | C16 | C21 | 120.2° | 120.0° |
| C17 | C16 | H20 | 119.9° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C16 | C17 | H21 | 120.1° | 120.0° |
| C21 | C16 | H20 | 119.9° | 120.1° |
| C16 | C21 | C20 | 120.4° | 120.0° |
| C16 | C21 | H19 | 119.8° | 120.0° |
| C18 | C17 | H21 | 120.1° | 120.1° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C17 | C18 | H22 | 120.1° | 120.0° |
| C19 | C18 | H22 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C18 | C19 | H23 | 119.3° | 120.0° |
| C20 | C19 | H23 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.0° | 120.0° |
| C19 | C20 | C22 | 120.3° | 120.0° |
| C21 | C20 | C22 | 120.8° | 120.0° |
| C20 | C21 | H19 | 119.7° | 120.0° |
| C20 | C22 | H17 | 109.2° | 109.4° |
| C20 | C22 | H18 | 109.2° | 109.4° |
| H17 | C22 | H18 | 100.9° | 109.5° |
| C24 | C23 | H24 | 108.5° | 109.5° |
| C24 | C23 | H25 | 108.5° | 109.5° |
| C23 | C24 | C25 | 117.1° | 109.4° |
| C23 | C24 | O4 | 105.9° | 109.4° |
| C23 | C24 | H26 | 106.2° | 109.5° |
| H24 | C23 | H25 | 101.5° | 109.5° |
| C25 | C24 | O4 | 107.2° | 109.5° |
| C25 | C24 | H26 | 104.8° | 109.5° |
| C24 | C25 | N4 | 108.2° | 109.5° |
| C24 | C25 | C29 | 110.8° | 109.5° |
| C24 | C25 | H27 | 109.2° | 109.5° |
| O4 | C24 | H26 | 116.2° | 109.5° |
| C24 | O4 | H1 | 105.9° | 106.9° |
| N4 | C25 | C29 | 108.8° | 109.5° |
| N4 | C25 | H27 | 111.2° | 109.5° |
| C25 | N4 | C26 | 124.1° | 120.0° |
| C25 | N4 | H35 | 122.1° | 120.0° |
| C29 | C25 | H27 | 108.6° | 109.5° |
| C25 | C29 | H28 | 110.3° | 109.5° |
| C25 | C29 | H29 | 110.3° | 109.5° |
| C26 | N4 | H35 | 113.8° | 120.0° |
| N4 | C26 | C27 | 114.5° | 120.0° |
| N4 | C26 | O5 | 125.0° | 120.0° |
| C27 | C26 | O5 | 120.5° | 120.0° |
| C26 | C27 | O3 | 111.9° | 109.5° |
| C26 | C27 | H36 | 111.3° | 109.5° |
| C26 | C27 | H37 | 111.3° | 109.4° |
| O3 | C27 | H36 | 111.3° | 109.5° |
| O3 | C27 | H37 | 111.3° | 109.4° |
| C27 | O3 | C28 | 114.0° | 106.8° |
| H36 | C27 | H37 | 99.0° | 109.5° |
| O3 | C28 | C30 | 121.8° | 120.1° |
| O3 | C28 | C34 | 118.9° | 120.1° |
| C30 | C28 | C34 | 119.3° | 119.9° |
| C28 | C30 | C31 | 119.1° | 120.0° |
| C28 | C30 | C36 | 122.4° | 120.1° |
| C28 | C34 | C33 | 120.0° | 119.9° |
| C28 | C34 | C35 | 121.2° | 120.0° |
| H28 | C29 | H29 | 99.9° | 109.5° |
| C31 | C30 | C36 | 118.5° | 120.0° |
| C30 | C31 | C32 | 120.9° | 120.0° |
| C30 | C31 | H41 | 119.9° | 120.0° |
| C30 | C36 | H38 | 107.6° | 109.5° |
| C30 | C36 | H39 | 122.4° | 109.5° |
| C30 | C36 | H40 | 107.6° | 109.4° |
| C32 | C31 | H41 | 119.2° | 119.9° |
| C31 | C32 | C33 | 120.4° | 120.1° |
| C31 | C32 | H42 | 119.8° | 120.0° |
| C33 | C32 | H42 | 119.8° | 119.9° |
| C32 | C33 | C34 | 120.3° | 120.0° |
| C32 | C33 | H43 | 119.6° | 120.0° |
| C34 | C33 | H43 | 120.1° | 119.9° |
| C33 | C34 | C35 | 118.9° | 120.0° |
| C34 | C35 | H44 | 108.0° | 109.5° |
| C34 | C35 | H45 | 121.2° | 109.5° |
| C34 | C35 | H46 | 108.0° | 109.5° |
| H44 | C35 | H45 | 108.1° | 109.5° |
| H44 | C35 | H46 | 101.9° | 109.5° |
| H45 | C35 | H46 | 108.0° | 109.4° |
| H38 | C36 | H39 | 107.6° | 109.5° |
| H38 | C36 | H40 | 102.2° | 109.5° |
| H39 | C36 | H40 | 107.6° | 109.4° |
| H6 | C37 | H7 | 98.2° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C37 | H2 | 125.3° | 119.9° |
| N2 | C1 | C37 | H3 | 125.3° | 119.8° |
| N2 | C1 | H2 | H3 | 117.2° | 120.1° |
| N2 | C1 | C37 | C2 | 45.9° | 55.4° |
| C1 | N2 | C3 | N1 | 0.2° | 1.1° |
| C1 | N2 | C3 | H8 | 180.0° | 179.8° |
| C1 | N2 | C3 | O1 | 179.8° | 179.5° |
| N2 | C1 | C37 | H6 | 171.1° | 64.3° |
| N2 | C1 | C37 | H7 | 79.4° | 175.2° |
| C37 | C1 | H2 | H3 | 117.2° | 120.2° |
| C1 | C37 | C2 | N1 | 47.0° | 55.5° |
| C1 | C37 | C2 | H6 | 125.3° | 119.7° |
| C1 | C37 | C2 | H7 | 125.3° | 119.7° |
| C1 | C37 | C2 | H4 | 172.2° | 175.4° |
| C1 | C37 | C2 | H5 | 78.3° | 64.5° |
| C37 | C1 | N2 | C3 | 24.8° | 29.3° |
| C37 | C1 | N2 | H8 | 155.2° | 151.0° |
| C1 | C37 | H6 | H7 | 118.2° | 120.4° |
| H2 | C1 | C37 | C2 | 79.4° | 175.4° |
| H2 | C1 | N2 | C3 | 100.5° | 149.2° |
| H2 | C1 | N2 | H8 | 79.5° | 31.0° |
| H2 | C1 | C37 | H6 | 45.9° | 55.7° |
| H2 | C1 | C37 | H7 | 155.3° | 64.8° |
| H3 | C1 | C37 | C2 | 171.1° | 64.4° |
| H3 | C1 | N2 | C3 | 150.0° | 90.6° |
| H3 | C1 | N2 | H8 | 29.9° | 89.2° |
| H3 | C1 | C37 | H6 | 63.6° | 175.9° |
| H3 | C1 | C37 | H7 | 45.9° | 55.4° |
| N1 | C2 | C37 | H4 | 125.2° | 119.9° |
| N1 | C2 | C37 | H5 | 125.3° | 120.0° |
| N1 | C2 | H4 | H5 | 116.4° | 120.2° |
| C2 | N1 | C3 | C10 | 179.7° | 179.7° |
| C2 | N1 | C3 | N2 | 0.2° | 1.1° |
| C2 | N1 | C3 | O1 | 179.8° | 179.4° |
| C2 | N1 | C10 | C11 | 69.2° | 114.1° |
| C2 | N1 | C10 | C13 | 55.8° | 125.9° |
| C2 | N1 | C10 | H9 | 172.3° | 5.9° |
| N1 | C2 | C37 | H6 | 172.2° | 64.2° |
| N1 | C2 | C37 | H7 | 78.3° | 175.2° |
| C37 | C2 | H4 | H5 | 116.4° | 120.1° |
| C37 | C2 | N1 | C3 | 25.0° | 29.4° |
| C37 | C2 | N1 | C10 | 155.3° | 151.0° |
| C2 | C37 | H6 | H7 | 118.2° | 120.6° |
| H4 | C2 | N1 | C3 | 150.3° | 149.2° |
| H4 | C2 | N1 | C10 | 30.0° | 31.1° |
| H4 | C2 | C37 | H6 | 62.5° | 55.7° |
| H4 | C2 | C37 | H7 | 47.0° | 64.9° |
| H5 | C2 | N1 | C3 | 100.2° | 90.6° |
| H5 | C2 | N1 | C10 | 79.5° | 89.1° |
| H5 | C2 | C37 | H6 | 47.0° | 175.9° |
| H5 | C2 | C37 | H7 | 156.5° | 55.2° |
| N1 | C3 | N2 | O1 | 180.0° | 179.4° |
| N1 | C3 | N2 | H8 | 179.8° | 179.1° |
| C3 | N1 | C10 | C11 | 110.5° | 65.6° |
| C3 | N1 | C10 | C13 | 124.6° | 54.4° |
| C3 | N1 | C10 | H9 | 8.0° | 174.4° |
| C10 | N1 | C3 | N2 | 179.8° | 179.2° |
| C10 | N1 | C3 | O1 | 0.1° | 0.2° |
| N1 | C10 | C11 | C13 | 124.7° | 120.0° |
| N1 | C10 | C11 | H9 | 118.7° | 120.0° |
| N1 | C10 | C13 | H9 | 118.5° | 120.0° |
| N1 | C10 | C11 | N3 | 101.7° | 173.8° |
| N1 | C10 | C11 | O2 | 78.2° | 6.3° |
| N1 | C10 | C13 | C14 | 179.7° | 173.4° |
| N1 | C10 | C13 | C15 | 57.4° | 53.4° |
| N1 | C10 | C13 | H10 | 62.5° | 66.6° |
| O1 | C3 | N2 | H8 | 0.3° | 0.3° |
| C5 | C4 | C9 | C29 | 179.8° | 179.7° |
| C4 | C5 | C6 | H30 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C4 | C5 | C6 | H31 | 179.9° | 179.9° |
| C5 | C4 | C9 | C8 | 0.0° | 0.5° |
| C5 | C4 | C9 | H34 | 179.9° | 179.9° |
| C5 | C4 | C29 | C25 | 120.9° | 90.0° |
| C5 | C4 | C29 | H28 | 4.4° | 30.0° |
| C5 | C4 | C29 | H29 | 113.9° | 150.0° |
| C9 | C4 | C5 | C6 | 0.1° | 0.3° |
| C9 | C4 | C5 | H30 | 179.9° | 179.8° |
| C4 | C9 | C8 | C7 | 0.0° | 0.4° |
| C4 | C9 | C8 | H34 | 180.0° | 179.6° |
| C4 | C9 | C8 | H33 | 180.0° | 179.7° |
| C9 | C4 | C29 | C25 | 59.0° | 90.3° |
| C9 | C4 | C29 | H28 | 175.8° | 149.7° |
| C9 | C4 | C29 | H29 | 66.3° | 29.7° |
| C29 | C4 | C5 | C6 | 179.8° | 180.0° |
| C29 | C4 | C5 | H30 | 0.3° | 0.0° |
| C29 | C4 | C9 | C8 | 179.8° | 179.8° |
| C29 | C4 | C9 | H34 | 0.2° | 0.2° |
| C4 | C29 | C25 | C24 | 179.4° | 175.0° |
| C4 | C29 | C25 | N4 | 60.5° | 65.0° |
| C4 | C29 | C25 | H28 | 125.3° | 120.0° |
| C4 | C29 | C25 | H29 | 125.3° | 120.0° |
| C4 | C29 | C25 | H27 | 60.7° | 55.0° |
| C4 | C29 | H28 | H29 | 116.2° | 120.0° |
| C5 | C6 | C7 | H31 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.0° |
| C5 | C6 | C7 | H32 | 180.0° | 180.0° |
| H30 | C5 | C6 | C7 | 179.9° | 180.0° |
| H30 | C5 | C6 | H31 | 0.1° | 0.0° |
| C6 | C7 | C8 | H32 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.1° |
| C6 | C7 | C8 | H33 | 180.0° | 179.9° |
| H31 | C6 | C7 | C8 | 180.0° | 180.0° |
| H31 | C6 | C7 | H32 | 0.0° | 0.0° |
| C7 | C8 | C9 | H33 | 180.0° | 179.9° |
| C7 | C8 | C9 | H34 | 180.0° | 180.0° |
| H32 | C7 | C8 | C9 | 180.0° | 179.9° |
| H32 | C7 | C8 | H33 | 0.0° | 0.1° |
| H33 | C8 | C9 | H34 | 0.0° | 0.1° |
| C11 | C10 | C13 | H9 | 118.3° | 119.9° |
| C10 | C11 | N3 | O2 | 179.9° | 179.9° |
| C10 | C11 | N3 | C12 | 179.9° | 173.7° |
| C10 | C11 | N3 | H15 | 0.1° | 6.2° |
| C11 | C10 | C13 | C14 | 57.1° | 66.6° |
| C11 | C10 | C13 | C15 | 179.4° | 173.5° |
| C11 | C10 | C13 | H10 | 60.8° | 53.4° |
| C13 | C10 | C11 | N3 | 133.6° | 66.2° |
| C13 | C10 | C11 | O2 | 46.5° | 113.8° |
| C10 | C13 | C14 | C15 | 123.6° | 120.0° |
| C10 | C13 | C14 | H10 | 116.4° | 120.0° |
| C10 | C13 | C15 | H10 | 116.6° | 120.0° |
| C10 | C13 | C14 | H11 | 54.8° | 174.9° |
| C10 | C13 | C14 | H12 | 180.0° | 65.1° |
| C10 | C13 | C14 | H47 | 54.7° | 54.9° |
| C10 | C13 | C15 | H13 | 54.7° | 65.2° |
| C10 | C13 | C15 | H14 | 180.0° | 174.8° |
| C10 | C13 | C15 | H48 | 54.7° | 54.8° |
| H9 | C10 | C11 | N3 | 17.0° | 53.8° |
| H9 | C10 | C11 | O2 | 163.0° | 126.3° |
| H9 | C10 | C13 | C14 | 61.2° | 53.4° |
| H9 | C10 | C13 | C15 | 61.1° | 66.6° |
| H9 | C10 | C13 | H10 | 179.0° | 173.4° |
| C11 | N3 | C12 | H15 | 180.0° | 180.0° |
| C11 | N3 | C12 | C22 | 110.1° | 99.1° |
| C11 | N3 | C12 | C23 | 131.7° | 140.9° |
| C11 | N3 | C12 | H16 | 11.0° | 20.9° |
| O2 | C11 | N3 | C12 | 0.2° | 6.3° |
| O2 | C11 | N3 | H15 | 179.8° | 173.7° |
| N3 | C12 | C22 | C23 | 121.3° | 120.0° |
| N3 | C12 | C22 | H16 | 118.1° | 120.0° |
| N3 | C12 | C23 | H16 | 118.1° | 119.9° |
| N3 | C12 | C22 | C20 | 58.5° | 65.0° |
| N3 | C12 | C22 | H17 | 176.2° | 55.0° |
| N3 | C12 | C22 | H18 | 66.8° | 175.0° |
| N3 | C12 | C23 | C24 | 58.8° | 67.9° |
| N3 | C12 | C23 | H24 | 66.4° | 172.1° |
| N3 | C12 | C23 | H25 | 175.9° | 52.1° |
| H15 | N3 | C12 | C22 | 69.8° | 80.8° |
| H15 | N3 | C12 | C23 | 48.3° | 39.2° |
| H15 | N3 | C12 | H16 | 169.0° | 159.1° |
| C22 | C12 | C23 | H16 | 121.2° | 120.0° |
| C12 | C22 | C20 | C19 | 87.8° | 90.3° |
| C12 | C22 | C20 | C21 | 92.3° | 90.0° |
| C12 | C22 | C20 | H17 | 125.3° | 120.0° |
| C12 | C22 | C20 | H18 | 125.3° | 120.0° |
| C12 | C22 | H17 | H18 | 114.9° | 120.1° |
| C22 | C12 | C23 | C24 | 179.6° | 172.1° |
| C22 | C12 | C23 | H24 | 54.3° | 52.1° |
| C22 | C12 | C23 | H25 | 55.1° | 67.9° |
| C23 | C12 | C22 | C20 | 179.8° | 175.0° |
| C23 | C12 | C22 | H17 | 55.0° | 65.0° |
| C23 | C12 | C22 | H18 | 54.5° | 55.0° |
| C12 | C23 | C24 | H24 | 125.3° | 120.0° |
| C12 | C23 | C24 | H25 | 125.3° | 120.0° |
| C12 | C23 | H24 | H25 | 114.2° | 120.0° |
| C12 | C23 | C24 | C25 | 61.9° | 173.6° |
| C12 | C23 | C24 | O4 | 178.7° | 66.5° |
| C12 | C23 | C24 | H26 | 54.6° | 53.6° |
| H16 | C12 | C22 | C20 | 59.6° | 55.0° |
| H16 | C12 | C22 | H17 | 65.7° | 175.0° |
| H16 | C12 | C22 | H18 | 175.2° | 65.0° |
| H16 | C12 | C23 | C24 | 59.2° | 52.0° |
| H16 | C12 | C23 | H24 | 175.5° | 67.9° |
| H16 | C12 | C23 | H25 | 66.0° | 172.0° |
| C14 | C13 | C15 | H10 | 118.2° | 120.0° |
| C13 | C14 | H11 | H12 | 126.8° | 120.0° |
| C13 | C14 | H11 | H47 | 116.6° | 120.0° |
| C13 | C14 | H12 | H47 | 125.3° | 119.9° |
| C14 | C13 | C15 | H13 | 179.9° | 174.8° |
| C14 | C13 | C15 | H14 | 54.8° | 54.8° |
| C14 | C13 | C15 | H48 | 70.5° | 65.1° |
| C15 | C13 | C14 | H11 | 68.9° | 54.9° |
| C15 | C13 | C14 | H12 | 56.4° | 175.0° |
| C15 | C13 | C14 | H47 | 178.3° | 65.1° |
| C13 | C15 | H13 | H14 | 124.8° | 120.0° |
| C13 | C15 | H13 | H48 | 117.6° | 120.1° |
| C13 | C15 | H14 | H48 | 125.3° | 120.0° |
| H10 | C13 | C14 | H11 | 171.1° | 65.1° |
| H10 | C13 | C14 | H12 | 63.6° | 54.9° |
| H10 | C13 | C14 | H47 | 61.7° | 174.9° |
| H10 | C13 | C15 | H13 | 61.9° | 54.8° |
| H10 | C13 | C15 | H14 | 63.4° | 65.2° |
| H10 | C13 | C15 | H48 | 171.3° | 174.9° |
| H11 | C14 | H12 | H47 | 109.5° | 120.0° |
| H13 | C15 | H14 | H48 | 109.4° | 120.0° |
| C17 | C16 | C21 | H20 | 180.0° | 180.0° |
| C16 | C17 | C18 | H21 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.2° |
| C16 | C17 | C18 | H22 | 180.0° | 180.0° |
| C17 | C16 | C21 | C20 | 0.0° | 0.0° |
| C17 | C16 | C21 | H19 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 0.0° | 0.0° |
| C21 | C16 | C17 | H21 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 0.0° | 0.3° |
| C16 | C21 | C20 | H19 | 180.0° | 180.0° |
| C16 | C21 | C20 | C22 | 180.0° | 180.0° |
| H20 | C16 | C17 | C18 | 180.0° | 180.0° |
| H20 | C16 | C17 | H21 | 0.0° | 0.0° |
| H20 | C16 | C21 | C20 | 180.0° | 179.9° |
| H20 | C16 | C21 | H19 | 0.0° | 0.0° |
| C17 | C18 | C19 | H22 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.4° |
| C17 | C18 | C19 | H23 | 179.9° | 180.0° |
| H21 | C17 | C18 | C19 | 180.0° | 179.8° |
| H21 | C17 | C18 | H22 | 0.0° | 0.0° |
| C18 | C19 | C20 | H23 | 180.0° | 179.6° |
| C18 | C19 | C20 | C21 | 0.1° | 0.5° |
| C18 | C19 | C20 | C22 | 180.0° | 179.8° |
| H22 | C18 | C19 | C20 | 179.9° | 179.7° |
| H22 | C18 | C19 | H23 | 0.1° | 0.1° |
| C19 | C20 | C21 | C22 | 179.9° | 179.8° |
| C19 | C20 | C21 | H19 | 180.0° | 179.8° |
| C19 | C20 | C22 | H17 | 147.0° | 149.7° |
| C19 | C20 | C22 | H18 | 37.5° | 29.8° |
| H23 | C19 | C20 | C21 | 179.9° | 179.9° |
| H23 | C19 | C20 | C22 | 0.0° | 0.2° |
| C21 | C20 | C22 | H17 | 33.0° | 30.0° |
| C21 | C20 | C22 | H18 | 142.4° | 150.0° |
| C22 | C20 | C21 | H19 | 0.1° | 0.0° |
| C20 | C22 | H17 | H18 | 114.9° | 119.9° |
| C24 | C23 | H24 | H25 | 114.1° | 120.1° |
| C23 | C24 | C25 | O4 | 118.6° | 119.9° |
| C23 | C24 | C25 | H26 | 117.3° | 120.0° |
| C23 | C24 | O4 | H26 | 117.6° | 120.1° |
| C23 | C24 | C25 | N4 | 62.0° | 60.0° |
| C23 | C24 | C25 | C29 | 178.7° | 180.0° |
| C23 | C24 | C25 | H27 | 59.1° | 60.0° |
| C23 | C24 | O4 | H1 | 180.0° | 59.7° |
| H24 | C23 | C24 | C25 | 172.8° | 53.6° |
| H24 | C23 | C24 | O4 | 53.5° | 173.6° |
| H24 | C23 | C24 | H26 | 70.6° | 66.4° |
| H25 | C23 | C24 | C25 | 63.4° | 66.4° |
| H25 | C23 | C24 | O4 | 56.0° | 53.5° |
| H25 | C23 | C24 | H26 | 179.9° | 173.6° |
| C25 | C24 | O4 | H26 | 116.8° | 120.0° |
| C24 | C25 | N4 | C29 | 120.4° | 120.0° |
| C24 | C25 | N4 | H27 | 119.9° | 120.0° |
| C24 | C25 | C29 | H27 | 119.9° | 120.0° |
| C24 | C25 | N4 | C26 | 132.2° | 155.0° |
| C24 | C25 | N4 | H35 | 47.8° | 25.0° |
| C25 | C24 | O4 | H1 | 54.4° | 60.3° |
| C24 | C25 | C29 | H28 | 54.1° | 65.0° |
| C24 | C25 | C29 | H29 | 55.3° | 55.0° |
| O4 | C24 | C25 | N4 | 56.6° | 60.0° |
| O4 | C24 | C25 | C29 | 62.6° | 60.0° |
| O4 | C24 | C25 | H27 | 177.7° | 180.0° |
| H26 | C24 | C25 | N4 | 179.4° | 180.0° |
| H26 | C24 | C25 | C29 | 61.4° | 60.0° |
| H26 | C24 | C25 | H27 | 58.2° | 60.0° |
| H26 | C24 | O4 | H1 | 62.4° | 179.7° |
| N4 | C25 | C29 | H27 | 121.2° | 120.0° |
| C25 | N4 | C26 | H35 | 180.0° | 179.9° |
| C25 | N4 | C26 | C27 | 178.9° | 180.0° |
| C25 | N4 | C26 | O5 | 0.3° | 0.0° |
| N4 | C25 | C29 | H28 | 64.8° | 55.0° |
| N4 | C25 | C29 | H29 | 174.2° | 175.0° |
| C29 | C25 | N4 | C26 | 107.3° | 85.0° |
| C29 | C25 | N4 | H35 | 72.7° | 94.9° |
| C25 | C29 | H28 | H29 | 116.1° | 120.0° |
| H27 | C25 | N4 | C26 | 12.3° | 35.0° |
| H27 | C25 | N4 | H35 | 167.7° | 145.1° |
| H27 | C25 | C29 | H28 | 174.1° | 175.0° |
| H27 | C25 | C29 | H29 | 64.6° | 65.0° |
| N4 | C26 | C27 | O5 | 179.3° | 180.0° |
| N4 | C26 | C27 | O3 | 13.6° | 180.0° |
| N4 | C26 | C27 | H36 | 111.7° | 60.0° |
| N4 | C26 | C27 | H37 | 138.9° | 60.1° |
| H35 | N4 | C26 | C27 | 1.1° | 0.1° |
| H35 | N4 | C26 | O5 | 179.7° | 180.0° |
| C26 | C27 | O3 | H36 | 125.2° | 120.0° |
| C26 | C27 | O3 | H37 | 125.3° | 120.0° |
| C26 | C27 | H36 | H37 | 117.2° | 120.0° |
| C26 | C27 | O3 | C28 | 153.7° | 180.0° |
| O5 | C26 | C27 | O3 | 165.7° | 0.0° |
| O5 | C26 | C27 | H36 | 69.1° | 120.0° |
| O5 | C26 | C27 | H37 | 40.4° | 120.0° |
| O3 | C27 | H36 | H37 | 117.2° | 120.0° |
| C27 | O3 | C28 | C30 | 82.3° | 90.0° |
| C27 | O3 | C28 | C34 | 98.1° | 90.3° |
| H36 | C27 | O3 | C28 | 81.1° | 60.0° |
| H37 | C27 | O3 | C28 | 28.4° | 60.0° |
| O3 | C28 | C30 | C34 | 179.7° | 179.8° |
| O3 | C28 | C30 | C31 | 179.9° | 180.0° |
| O3 | C28 | C30 | C36 | 0.1° | 0.0° |
| O3 | C28 | C34 | C33 | 179.9° | 179.7° |
| O3 | C28 | C34 | C35 | 0.1° | 0.3° |
| C28 | C30 | C31 | C36 | 180.0° | 180.0° |
| C28 | C30 | C31 | C32 | 0.1° | 0.0° |
| C28 | C30 | C31 | H41 | 179.9° | 180.0° |
| C30 | C28 | C34 | C33 | 0.2° | 0.5° |
| C30 | C28 | C34 | C35 | 179.7° | 180.0° |
| C28 | C30 | C36 | H38 | 54.7° | 90.0° |
| C28 | C30 | C36 | H39 | 180.0° | 150.0° |
| C28 | C30 | C36 | H40 | 54.7° | 30.0° |
| C34 | C28 | C30 | C31 | 0.2° | 0.3° |
| C34 | C28 | C30 | C36 | 179.7° | 179.7° |
| C28 | C34 | C33 | C32 | 0.1° | 0.5° |
| C28 | C34 | C33 | C35 | 180.0° | 179.5° |
| C28 | C34 | C33 | H43 | 179.9° | 179.7° |
| C28 | C34 | C35 | H44 | 54.7° | 90.6° |
| C28 | C34 | C35 | H45 | 180.0° | 29.5° |
| C28 | C34 | C35 | H46 | 54.7° | 149.4° |
| C30 | C31 | C32 | H41 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C30 | C31 | C32 | H42 | 180.0° | 180.0° |
| C31 | C30 | C36 | H38 | 125.2° | 90.0° |
| C31 | C30 | C36 | H39 | 0.0° | 30.1° |
| C31 | C30 | C36 | H40 | 125.3° | 150.0° |
| C36 | C30 | C31 | C32 | 179.8° | 180.0° |
| C36 | C30 | C31 | H41 | 0.1° | 0.0° |
| C30 | C36 | H38 | H39 | 133.7° | 120.1° |
| C30 | C36 | H38 | H40 | 113.2° | 120.0° |
| C30 | C36 | H39 | H40 | 125.3° | 120.0° |
| C31 | C32 | C33 | H42 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.2° |
| C31 | C32 | C33 | H43 | 179.9° | 180.0° |
| H41 | C31 | C32 | C33 | 180.0° | 180.0° |
| H41 | C31 | C32 | H42 | 0.0° | 0.0° |
| C32 | C33 | C34 | H43 | 180.0° | 179.8° |
| C32 | C33 | C34 | C35 | 179.9° | 180.0° |
| H42 | C32 | C33 | C34 | 180.0° | 179.7° |
| H42 | C32 | C33 | H43 | 0.0° | 0.0° |
| C33 | C34 | C35 | H44 | 125.3° | 90.0° |
| C33 | C34 | C35 | H45 | 0.0° | 150.0° |
| C33 | C34 | C35 | H46 | 125.2° | 30.1° |
| H43 | C33 | C34 | C35 | 0.1° | 0.3° |
| C34 | C35 | H44 | H45 | 132.7° | 120.0° |
| C34 | C35 | H44 | H46 | 113.7° | 120.0° |
| C34 | C35 | H45 | H46 | 125.3° | 120.0° |
| H44 | C35 | H45 | H46 | 109.5° | 120.0° |
| H38 | C36 | H39 | H40 | 109.5° | 120.0° |
