0GO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C9 | doub | 1.21Å | 1.22Å | |
| C18 | C11 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C3 | C2 | sing | 1.54Å | 1.55Å | |
| C9 | C2 | sing | 1.51Å | 1.51Å | |
| C9 | N8 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.55Å | 1.54Å | |
| C11 | N8 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.48Å | 1.49Å | |
| C2 | N1 | sing | 1.47Å | 1.50Å | |
| C2 | C6 | sing | 1.54Å | 1.56Å | |
| N8 | C7 | sing | 1.47Å | 1.46Å | |
| N1 | C15 | sing | 1.47Å | 1.49Å | |
| C23 | N22 | sing | 1.47Å | 1.49Å | |
| C23 | C32 | sing | 1.51Å | 1.54Å | |
| C12 | O14 | doub | 1.21Å | 1.23Å | |
| C12 | N13 | sing | 1.35Å | 1.37Å | |
| C33 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| N22 | C21 | sing | 1.47Å | 1.48Å | |
| C7 | C6 | sing | 1.55Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C32 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
| N13 | C19 | sing | 1.47Å | 1.47Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | O31 | sing | 1.43Å | 1.44Å | |
| C37 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C24 | sing | 1.53Å | 1.56Å | |
| C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C36 | C38 | sing | 1.51Å | 1.55Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C25 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C38 | C40 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| N22 | H28 | sing | 1.01Å | 1.00Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| O31 | H39 | sing | 0.97Å | 0.95Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C34 | H41 | sing | 1.08Å | 1.08Å | |
| C35 | H42 | sing | 1.08Å | 1.08Å | |
| C37 | H43 | sing | 1.08Å | 1.08Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C9 | C2 | 122.4° | 125.0° |
| O10 | C9 | N8 | 127.0° | 125.1° |
| C18 | C11 | N8 | 111.1° | 109.4° |
| C18 | C11 | C12 | 114.3° | 109.5° |
| C18 | C11 | H12 | 105.8° | 109.5° |
| C11 | C18 | H21 | 109.5° | 109.5° |
| C11 | C18 | H22 | 109.5° | 109.5° |
| C11 | C18 | H23 | 109.5° | 109.5° |
| C4 | C3 | C2 | 101.6° | 102.8° |
| C3 | C4 | C5 | 98.6° | 101.7° |
| C4 | C3 | H2 | 111.4° | 110.8° |
| C4 | C3 | H3 | 111.4° | 110.8° |
| C3 | C4 | H4 | 112.1° | 111.0° |
| C3 | C4 | H5 | 112.1° | 111.0° |
| C3 | C2 | C9 | 112.1° | 111.0° |
| C3 | C2 | N1 | 102.5° | 108.1° |
| C3 | C2 | C6 | 111.9° | 110.4° |
| C2 | C3 | H2 | 111.4° | 110.7° |
| C2 | C3 | H3 | 111.4° | 110.7° |
| C2 | C9 | N8 | 110.5° | 109.9° |
| C9 | C2 | N1 | 115.4° | 111.6° |
| C9 | C2 | C6 | 101.6° | 105.0° |
| C9 | N8 | C11 | 121.4° | 124.4° |
| C9 | N8 | C7 | 114.4° | 111.3° |
| C4 | C5 | N1 | 105.1° | 104.8° |
| C5 | C4 | H4 | 112.1° | 111.0° |
| C5 | C4 | H5 | 112.1° | 111.0° |
| C4 | C5 | H6 | 110.6° | 110.3° |
| C4 | C5 | H7 | 110.5° | 110.3° |
| N8 | C11 | C12 | 112.2° | 109.5° |
| C11 | N8 | C7 | 124.2° | 124.3° |
| N8 | C11 | H12 | 106.7° | 109.5° |
| C11 | C12 | O14 | 119.5° | 120.0° |
| C11 | C12 | N13 | 117.1° | 120.0° |
| C12 | C11 | H12 | 106.2° | 109.5° |
| C5 | N1 | C2 | 108.4° | 108.2° |
| C5 | N1 | C15 | 116.0° | 111.0° |
| N1 | C5 | H6 | 110.5° | 110.4° |
| N1 | C5 | H7 | 110.6° | 110.4° |
| N1 | C2 | C6 | 113.7° | 110.9° |
| C2 | N1 | C15 | 123.7° | 111.0° |
| C2 | C6 | C7 | 106.5° | 101.6° |
| C2 | C6 | H8 | 110.2° | 111.0° |
| C2 | C6 | H9 | 110.2° | 111.0° |
| N8 | C7 | C6 | 102.4° | 105.5° |
| N8 | C7 | H10 | 111.2° | 110.2° |
| N8 | C7 | H11 | 111.2° | 110.3° |
| N1 | C15 | C16 | 111.3° | 109.4° |
| N1 | C15 | H14 | 109.0° | 109.5° |
| N1 | C15 | H15 | 109.0° | 109.5° |
| N22 | C23 | C32 | 112.2° | 109.5° |
| C23 | N22 | C21 | 115.4° | 111.0° |
| C23 | N22 | H28 | 108.0° | 111.0° |
| N22 | C23 | H30 | 108.8° | 109.4° |
| N22 | C23 | H31 | 108.8° | 109.4° |
| C23 | C32 | C33 | 119.4° | 120.0° |
| C23 | C32 | C37 | 121.3° | 120.0° |
| C32 | C23 | H30 | 108.8° | 109.5° |
| C32 | C23 | H31 | 108.8° | 109.5° |
| O14 | C12 | N13 | 123.4° | 120.0° |
| C12 | N13 | C19 | 123.4° | 120.0° |
| C12 | N13 | H13 | 118.3° | 120.0° |
| C32 | C33 | C34 | 119.8° | 120.0° |
| C33 | C32 | C37 | 119.3° | 120.0° |
| C32 | C33 | H40 | 120.1° | 120.0° |
| C33 | C34 | C35 | 120.5° | 120.0° |
| C34 | C33 | H40 | 120.1° | 120.0° |
| C33 | C34 | H41 | 119.8° | 120.0° |
| C15 | C16 | C17 | 111.3° | 109.5° |
| C16 | C15 | H14 | 109.0° | 109.4° |
| C16 | C15 | H15 | 109.0° | 109.4° |
| C15 | C16 | H16 | 109.0° | 109.5° |
| C15 | C16 | H17 | 109.0° | 109.5° |
| C17 | C16 | H16 | 109.0° | 109.4° |
| C17 | C16 | H17 | 109.0° | 109.4° |
| C16 | C17 | H18 | 109.5° | 109.5° |
| C16 | C17 | H19 | 109.4° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| N22 | C21 | C20 | 111.1° | 109.5° |
| N22 | C21 | H26 | 109.0° | 109.5° |
| N22 | C21 | H27 | 109.1° | 109.5° |
| C21 | N22 | H28 | 108.0° | 111.1° |
| C7 | C6 | H8 | 110.2° | 111.0° |
| C7 | C6 | H9 | 110.2° | 111.1° |
| C6 | C7 | H10 | 111.2° | 110.2° |
| C6 | C7 | H11 | 111.2° | 110.2° |
| C21 | C20 | C19 | 113.1° | 109.5° |
| C21 | C20 | O31 | 109.5° | 109.5° |
| C21 | C20 | H25 | 106.8° | 109.5° |
| C20 | C21 | H26 | 109.1° | 109.4° |
| C20 | C21 | H27 | 109.1° | 109.5° |
| C32 | C37 | C36 | 121.3° | 120.0° |
| C32 | C37 | H43 | 119.4° | 120.0° |
| N13 | C19 | C20 | 110.5° | 109.5° |
| N13 | C19 | C24 | 110.6° | 109.5° |
| C19 | N13 | H13 | 118.3° | 120.0° |
| N13 | C19 | H24 | 108.7° | 109.5° |
| C34 | C35 | C36 | 120.6° | 120.0° |
| C35 | C34 | H41 | 119.8° | 120.0° |
| C34 | C35 | H42 | 119.7° | 120.0° |
| C19 | C20 | O31 | 112.3° | 109.5° |
| C20 | C19 | C24 | 111.7° | 109.5° |
| C20 | C19 | H24 | 107.6° | 109.5° |
| C19 | C20 | H25 | 106.7° | 109.5° |
| O31 | C20 | H25 | 108.1° | 109.4° |
| C20 | O31 | H39 | 109.5° | 114.0° |
| C37 | C36 | C35 | 118.4° | 120.0° |
| C37 | C36 | C38 | 122.3° | 120.0° |
| C36 | C37 | H43 | 119.3° | 120.0° |
| C19 | C24 | C25 | 115.7° | 109.4° |
| C24 | C19 | H24 | 107.6° | 109.5° |
| C19 | C24 | H32 | 107.9° | 109.4° |
| C19 | C24 | H33 | 107.9° | 109.5° |
| C35 | C36 | C38 | 119.3° | 120.0° |
| C36 | C35 | H42 | 119.7° | 120.0° |
| C36 | C38 | C40 | 113.7° | 109.5° |
| C36 | C38 | C39 | 112.3° | 109.5° |
| C36 | C38 | H44 | 106.2° | 109.4° |
| C24 | C25 | C30 | 122.3° | 120.0° |
| C24 | C25 | C26 | 118.4° | 120.0° |
| C25 | C24 | H32 | 107.9° | 109.5° |
| C25 | C24 | H33 | 107.9° | 109.4° |
| C30 | C25 | C26 | 119.3° | 120.0° |
| C25 | C30 | C29 | 120.1° | 120.0° |
| C25 | C30 | H38 | 119.9° | 120.0° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | H34 | 119.7° | 120.0° |
| C30 | C29 | C28 | 120.2° | 120.0° |
| C30 | C29 | H37 | 119.9° | 120.0° |
| C29 | C30 | H38 | 119.9° | 120.0° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C27 | C26 | H34 | 119.7° | 120.0° |
| C26 | C27 | H35 | 120.0° | 120.0° |
| C29 | C28 | C27 | 119.9° | 120.0° |
| C29 | C28 | H36 | 120.1° | 120.0° |
| C28 | C29 | H37 | 119.9° | 120.0° |
| C40 | C38 | C39 | 111.5° | 109.5° |
| C40 | C38 | H44 | 106.1° | 109.5° |
| C38 | C40 | H48 | 109.5° | 109.5° |
| C38 | C40 | H49 | 109.5° | 109.4° |
| C38 | C40 | H50 | 109.5° | 109.5° |
| C39 | C38 | H44 | 106.2° | 109.5° |
| C38 | C39 | H45 | 109.5° | 109.5° |
| C38 | C39 | H46 | 109.5° | 109.5° |
| C38 | C39 | H47 | 109.4° | 109.5° |
| C28 | C27 | H35 | 120.0° | 120.0° |
| C27 | C28 | H36 | 120.1° | 120.0° |
| H2 | C3 | H3 | 109.5° | 110.8° |
| H4 | C4 | H5 | 109.4° | 110.8° |
| H6 | C5 | H7 | 109.5° | 110.4° |
| H8 | C6 | H9 | 109.5° | 110.8° |
| H10 | C7 | H11 | 109.5° | 110.2° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.4° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H18 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H45 | C39 | H46 | 109.5° | 109.5° |
| H45 | C39 | H47 | 109.5° | 109.4° |
| H46 | C39 | H47 | 109.5° | 109.5° |
| H48 | C40 | H49 | 109.5° | 109.4° |
| H48 | C40 | H50 | 109.4° | 109.5° |
| H49 | C40 | H50 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C9 | C2 | C3 | 74.7° | 45.2° |
| O10 | C9 | C2 | N8 | 179.5° | 179.9° |
| O10 | C9 | N8 | C11 | 2.6° | 0.9° |
| O10 | C9 | C2 | N1 | 42.1° | 75.4° |
| O10 | C9 | C2 | C6 | 165.6° | 164.5° |
| O10 | C9 | N8 | C7 | 177.8° | 179.1° |
| C18 | C11 | N8 | C9 | 90.3° | 60.1° |
| C18 | C11 | N8 | C12 | 129.3° | 120.0° |
| C18 | C11 | N8 | H12 | 114.8° | 120.0° |
| C18 | C11 | C12 | H12 | 116.2° | 120.0° |
| C18 | C11 | N8 | C7 | 89.4° | 120.0° |
| C18 | C11 | C12 | O14 | 23.4° | 120.0° |
| C18 | C11 | C12 | N13 | 156.6° | 60.0° |
| C11 | C18 | H21 | H22 | 120.0° | 120.1° |
| C11 | C18 | H21 | H23 | 120.0° | 120.0° |
| C11 | C18 | H22 | H23 | 120.0° | 120.0° |
| C4 | C3 | C2 | H2 | 118.7° | 118.3° |
| C4 | C3 | C2 | H3 | 118.7° | 118.3° |
| C4 | C3 | C2 | C9 | 163.8° | 100.8° |
| C3 | C4 | C5 | H4 | 118.2° | 118.1° |
| C3 | C4 | C5 | H5 | 118.2° | 118.1° |
| C3 | C4 | C5 | N1 | 39.3° | 36.7° |
| C4 | C3 | C2 | N1 | 39.4° | 21.9° |
| C4 | C3 | C2 | C6 | 82.8° | 143.3° |
| C4 | C3 | H2 | H3 | 123.7° | 123.3° |
| C3 | C4 | H4 | H5 | 125.1° | 123.8° |
| C3 | C4 | C5 | H6 | 158.6° | 155.5° |
| C3 | C4 | C5 | H7 | 80.0° | 82.2° |
| C3 | C2 | C9 | N1 | 116.9° | 120.6° |
| C3 | C2 | C9 | C6 | 119.6° | 119.2° |
| C3 | C2 | C9 | N8 | 104.8° | 134.8° |
| C2 | C3 | C4 | C5 | 47.9° | 35.1° |
| C3 | C2 | N1 | C5 | 14.6° | 1.1° |
| C3 | C2 | N1 | C6 | 121.0° | 121.1° |
| C3 | C2 | N1 | C15 | 155.5° | 123.2° |
| C3 | C2 | C6 | C7 | 98.9° | 143.7° |
| C2 | C3 | H2 | H3 | 123.7° | 123.3° |
| C2 | C3 | C4 | H4 | 70.3° | 153.2° |
| C2 | C3 | C4 | H5 | 166.1° | 83.1° |
| C3 | C2 | C6 | H8 | 20.6° | 25.6° |
| C3 | C2 | C6 | H9 | 141.6° | 98.1° |
| C2 | C9 | N8 | C11 | 176.9° | 179.1° |
| C9 | C2 | N1 | C5 | 136.8° | 123.4° |
| C9 | C2 | N1 | C6 | 116.9° | 116.6° |
| C2 | C9 | N8 | C7 | 2.7° | 0.8° |
| C9 | C2 | N1 | C15 | 82.4° | 114.5° |
| C9 | C2 | C6 | C7 | 20.8° | 24.1° |
| C9 | C2 | C3 | H2 | 45.0° | 140.9° |
| C9 | C2 | C3 | H3 | 77.5° | 17.5° |
| C9 | C2 | C6 | H8 | 140.3° | 94.0° |
| C9 | C2 | C6 | H9 | 98.7° | 142.3° |
| C9 | N8 | C11 | C7 | 179.6° | 179.9° |
| C9 | N8 | C11 | C12 | 140.4° | 59.9° |
| N8 | C9 | C2 | N1 | 138.3° | 104.6° |
| N8 | C9 | C2 | C6 | 14.8° | 15.6° |
| C9 | N8 | C7 | C6 | 10.9° | 16.8° |
| C9 | N8 | C7 | H10 | 129.7° | 135.8° |
| C9 | N8 | C7 | H11 | 108.0° | 102.2° |
| C9 | N8 | C11 | H12 | 24.6° | 180.0° |
| C4 | C5 | N1 | H6 | 119.3° | 118.8° |
| C4 | C5 | N1 | H7 | 119.3° | 118.8° |
| C4 | C5 | N1 | C2 | 15.7° | 23.9° |
| C4 | C5 | N1 | C15 | 128.6° | 146.0° |
| C5 | C4 | C3 | H2 | 70.8° | 83.3° |
| C5 | C4 | C3 | H3 | 166.6° | 153.4° |
| C5 | C4 | H4 | H5 | 125.1° | 123.8° |
| C4 | C5 | H6 | H7 | 122.0° | 122.3° |
| N8 | C11 | C12 | H12 | 116.2° | 120.0° |
| N8 | C11 | C12 | O14 | 104.3° | 0.0° |
| N8 | C11 | C12 | N13 | 75.8° | 180.0° |
| C11 | N8 | C7 | C6 | 169.5° | 163.1° |
| C11 | N8 | C7 | H10 | 50.6° | 44.1° |
| C11 | N8 | C7 | H11 | 71.7° | 77.9° |
| N8 | C11 | C18 | H21 | 180.0° | 180.0° |
| N8 | C11 | C18 | H22 | 60.0° | 60.0° |
| N8 | C11 | C18 | H23 | 60.0° | 60.0° |
| C12 | C11 | N8 | C7 | 40.0° | 120.0° |
| C11 | C12 | O14 | N13 | 180.0° | 180.0° |
| C11 | C12 | N13 | C19 | 179.5° | 180.0° |
| C11 | C12 | N13 | H13 | 0.5° | 0.0° |
| C12 | C11 | C18 | H21 | 51.8° | 60.0° |
| C12 | C11 | C18 | H22 | 171.8° | 180.0° |
| C12 | C11 | C18 | H23 | 68.2° | 60.0° |
| C5 | N1 | C2 | C15 | 140.9° | 122.0° |
| C5 | N1 | C2 | C6 | 106.3° | 120.0° |
| C5 | N1 | C15 | C16 | 127.9° | 69.6° |
| N1 | C5 | C4 | H4 | 78.9° | 154.8° |
| N1 | C5 | C4 | H5 | 157.5° | 81.5° |
| N1 | C5 | H6 | H7 | 122.0° | 122.3° |
| C5 | N1 | C15 | H14 | 111.8° | 170.4° |
| C5 | N1 | C15 | H15 | 7.7° | 50.4° |
| C2 | N1 | C15 | C16 | 93.9° | 170.0° |
| N1 | C2 | C6 | C7 | 145.5° | 96.5° |
| N1 | C2 | C3 | H2 | 79.4° | 96.5° |
| N1 | C2 | C3 | H3 | 158.1° | 140.2° |
| C2 | N1 | C5 | H6 | 135.0° | 142.8° |
| C2 | N1 | C5 | H7 | 103.6° | 94.9° |
| N1 | C2 | C6 | H8 | 95.0° | 145.4° |
| N1 | C2 | C6 | H9 | 26.0° | 21.7° |
| C2 | N1 | C15 | H14 | 26.4° | 50.1° |
| C2 | N1 | C15 | H15 | 145.9° | 70.0° |
| C2 | C6 | C7 | N8 | 19.5° | 24.8° |
| C6 | C2 | N1 | C15 | 34.5° | 2.1° |
| C2 | C6 | C7 | H8 | 119.5° | 118.1° |
| C2 | C6 | C7 | H9 | 119.5° | 118.2° |
| C6 | C2 | C3 | H2 | 158.5° | 24.9° |
| C6 | C2 | C3 | H3 | 35.9° | 98.4° |
| C2 | C6 | H8 | H9 | 121.4° | 123.9° |
| C2 | C6 | C7 | H10 | 138.4° | 143.8° |
| C2 | C6 | C7 | H11 | 99.3° | 94.3° |
| N8 | C7 | C6 | H10 | 118.9° | 119.0° |
| N8 | C7 | C6 | H11 | 118.9° | 119.1° |
| N8 | C7 | C6 | H8 | 139.0° | 93.4° |
| N8 | C7 | C6 | H9 | 100.0° | 142.9° |
| N8 | C7 | H10 | H11 | 123.3° | 122.0° |
| C7 | N8 | C11 | H12 | 155.8° | 0.0° |
| N1 | C15 | C16 | H14 | 120.3° | 120.0° |
| N1 | C15 | C16 | H15 | 120.3° | 120.0° |
| N1 | C15 | C16 | C17 | 178.8° | 180.0° |
| C15 | N1 | C5 | H6 | 9.2° | 95.2° |
| C15 | N1 | C5 | H7 | 112.1° | 27.2° |
| N1 | C15 | H14 | H15 | 119.2° | 120.1° |
| N1 | C15 | C16 | H16 | 58.5° | 60.0° |
| N1 | C15 | C16 | H17 | 61.0° | 60.0° |
| N22 | C23 | C32 | H30 | 120.4° | 119.9° |
| N22 | C23 | C32 | H31 | 120.4° | 120.0° |
| N22 | C23 | C32 | C33 | 118.8° | 89.7° |
| C23 | N22 | C21 | H28 | 120.9° | 124.0° |
| C23 | N22 | C21 | C20 | 158.4° | 180.0° |
| N22 | C23 | C32 | C37 | 61.2° | 90.0° |
| C23 | N22 | C21 | H26 | 38.1° | 60.0° |
| C23 | N22 | C21 | H27 | 81.4° | 60.0° |
| N22 | C23 | H30 | H31 | 118.8° | 120.0° |
| C23 | C32 | C33 | C37 | 180.0° | 179.7° |
| C23 | C32 | C33 | C34 | 179.8° | 180.0° |
| C32 | C23 | N22 | C21 | 65.0° | 180.0° |
| C23 | C32 | C37 | C36 | 180.0° | 179.8° |
| C32 | C23 | N22 | H28 | 174.1° | 56.0° |
| C32 | C23 | H30 | H31 | 118.8° | 120.1° |
| C23 | C32 | C33 | H40 | 0.1° | 0.1° |
| C23 | C32 | C37 | H43 | 0.0° | 0.0° |
| O14 | C12 | N13 | C19 | 0.5° | 0.0° |
| O14 | C12 | C11 | H12 | 139.6° | 120.0° |
| O14 | C12 | N13 | H13 | 179.5° | 180.0° |
| C12 | N13 | C19 | H13 | 180.0° | 180.0° |
| C12 | N13 | C19 | C20 | 101.7° | 155.0° |
| C12 | N13 | C19 | C24 | 134.0° | 85.0° |
| N13 | C12 | C11 | H12 | 40.4° | 60.0° |
| C12 | N13 | C19 | H24 | 16.1° | 35.0° |
| C32 | C33 | C34 | H40 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C33 | C32 | C37 | C36 | 0.0° | 0.5° |
| C33 | C32 | C23 | H30 | 120.8° | 150.3° |
| C33 | C32 | C23 | H31 | 1.6° | 30.3° |
| C32 | C33 | C34 | H41 | 179.8° | 179.9° |
| C33 | C32 | C37 | H43 | 180.0° | 179.7° |
| C34 | C33 | C32 | C37 | 0.1° | 0.3° |
| C33 | C34 | C35 | H41 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.0° | 0.1° |
| C33 | C34 | C35 | H42 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 120.3° | 120.0° |
| C15 | C16 | C17 | H17 | 120.3° | 120.0° |
| C16 | C15 | H14 | H15 | 119.2° | 120.0° |
| C15 | C16 | H16 | H17 | 119.2° | 120.1° |
| C15 | C16 | C17 | H18 | 180.0° | 60.0° |
| C15 | C16 | C17 | H19 | 60.0° | 60.0° |
| C15 | C16 | C17 | H20 | 60.0° | 180.0° |
| C17 | C16 | C15 | H14 | 61.0° | 60.0° |
| C17 | C16 | C15 | H15 | 58.5° | 60.0° |
| C17 | C16 | H16 | H17 | 119.2° | 119.9° |
| C16 | C17 | H18 | H19 | 120.0° | 120.0° |
| C16 | C17 | H18 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H20 | 120.0° | 120.1° |
| N22 | C21 | C20 | H26 | 120.3° | 120.0° |
| N22 | C21 | C20 | H27 | 120.3° | 120.1° |
| N22 | C21 | C20 | C19 | 171.9° | 175.0° |
| N22 | C21 | C20 | O31 | 45.8° | 65.0° |
| N22 | C21 | C20 | H25 | 71.0° | 54.9° |
| N22 | C21 | H26 | H27 | 119.2° | 120.0° |
| C21 | N22 | C23 | H30 | 174.6° | 60.0° |
| C21 | N22 | C23 | H31 | 55.3° | 60.0° |
| C7 | C6 | H8 | H9 | 121.4° | 123.9° |
| C6 | C7 | H10 | H11 | 123.3° | 121.9° |
| C21 | C20 | C19 | N13 | 58.6° | 175.0° |
| C21 | C20 | C19 | O31 | 124.6° | 120.0° |
| C21 | C20 | C19 | H25 | 117.1° | 120.1° |
| C21 | C20 | O31 | H25 | 116.0° | 120.0° |
| C21 | C20 | C19 | C24 | 177.8° | 65.0° |
| C21 | C20 | C19 | H24 | 59.9° | 55.0° |
| C20 | C21 | H26 | H27 | 119.2° | 120.0° |
| C20 | C21 | N22 | H28 | 80.7° | 56.0° |
| C21 | C20 | O31 | H39 | 180.0° | 60.1° |
| C32 | C37 | C36 | H43 | 180.0° | 179.8° |
| C32 | C37 | C36 | C35 | 0.2° | 0.4° |
| C32 | C37 | C36 | C38 | 179.7° | 179.7° |
| C37 | C32 | C23 | H30 | 59.2° | 30.0° |
| C37 | C32 | C23 | H31 | 178.4° | 150.0° |
| C37 | C32 | C33 | H40 | 179.9° | 179.8° |
| N13 | C19 | C20 | C24 | 123.6° | 120.0° |
| N13 | C19 | C20 | H24 | 118.5° | 120.0° |
| N13 | C19 | C20 | O31 | 176.9° | 65.0° |
| N13 | C19 | C24 | H24 | 118.6° | 120.0° |
| N13 | C19 | C24 | C25 | 54.7° | 65.0° |
| N13 | C19 | C20 | H25 | 58.6° | 54.9° |
| N13 | C19 | C24 | H32 | 66.2° | 55.0° |
| N13 | C19 | C24 | H33 | 175.6° | 175.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.1° |
| C34 | C35 | C36 | H42 | 180.0° | 179.9° |
| C34 | C35 | C36 | C38 | 179.7° | 180.0° |
| C35 | C34 | C33 | H40 | 179.9° | 179.9° |
| C19 | C20 | O31 | H25 | 117.4° | 120.0° |
| C20 | C19 | C24 | H24 | 117.9° | 120.0° |
| C20 | C19 | C24 | C25 | 178.2° | 175.0° |
| C20 | C19 | N13 | H13 | 78.3° | 25.0° |
| C19 | C20 | C21 | H26 | 51.7° | 55.0° |
| C19 | C20 | C21 | H27 | 67.8° | 65.0° |
| C20 | C19 | C24 | H32 | 57.3° | 65.0° |
| C20 | C19 | C24 | H33 | 60.9° | 55.0° |
| C19 | C20 | O31 | H39 | 53.5° | 60.0° |
| O31 | C20 | C19 | C24 | 53.3° | 55.0° |
| O31 | C20 | C19 | H24 | 64.6° | 175.0° |
| O31 | C20 | C21 | H26 | 74.5° | 175.0° |
| O31 | C20 | C21 | H27 | 166.1° | 55.0° |
| C37 | C36 | C35 | C38 | 179.9° | 179.9° |
| C37 | C36 | C38 | C40 | 45.6° | 119.9° |
| C37 | C36 | C38 | C39 | 82.3° | 120.2° |
| C37 | C36 | C35 | H42 | 179.8° | 179.8° |
| C37 | C36 | C38 | H44 | 162.0° | 0.1° |
| C19 | C24 | C25 | H32 | 120.9° | 120.0° |
| C19 | C24 | C25 | H33 | 120.9° | 120.0° |
| C19 | C24 | C25 | C30 | 43.9° | 90.1° |
| C19 | C24 | C25 | C26 | 136.2° | 89.7° |
| C24 | C19 | N13 | H13 | 46.0° | 95.0° |
| C24 | C19 | C20 | H25 | 65.0° | 175.0° |
| C19 | C24 | H32 | H33 | 117.2° | 120.0° |
| C35 | C36 | C38 | C40 | 134.3° | 60.0° |
| C35 | C36 | C38 | C39 | 97.8° | 60.0° |
| C36 | C35 | C34 | H41 | 180.0° | 180.0° |
| C35 | C36 | C37 | H43 | 179.8° | 179.8° |
| C35 | C36 | C38 | H44 | 17.9° | 180.0° |
| C36 | C38 | C40 | C39 | 128.3° | 120.0° |
| C36 | C38 | C40 | H44 | 116.4° | 120.0° |
| C36 | C38 | C39 | H44 | 115.7° | 120.0° |
| C38 | C36 | C35 | H42 | 0.3° | 0.1° |
| C38 | C36 | C37 | H43 | 0.3° | 0.1° |
| C36 | C38 | C39 | H45 | 180.0° | 60.0° |
| C36 | C38 | C39 | H46 | 60.0° | 60.0° |
| C36 | C38 | C39 | H47 | 60.0° | 180.0° |
| C36 | C38 | C40 | H48 | 180.0° | 60.0° |
| C36 | C38 | C40 | H49 | 60.0° | 180.0° |
| C36 | C38 | C40 | H50 | 60.0° | 60.0° |
| C24 | C25 | C30 | C26 | 179.9° | 179.8° |
| C24 | C25 | C30 | C29 | 179.8° | 179.8° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C25 | C24 | C19 | H24 | 63.9° | 55.0° |
| C25 | C24 | H32 | H33 | 117.2° | 120.0° |
| C24 | C25 | C26 | H34 | 0.2° | 0.1° |
| C24 | C25 | C30 | H38 | 0.2° | 0.1° |
| C25 | C30 | C29 | H38 | 180.0° | 179.8° |
| C30 | C25 | C26 | C27 | 0.1° | 0.2° |
| C25 | C30 | C29 | C28 | 0.0° | 0.5° |
| C30 | C25 | C24 | H32 | 164.8° | 29.9° |
| C30 | C25 | C24 | H33 | 77.0° | 150.0° |
| C30 | C25 | C26 | H34 | 179.9° | 179.7° |
| C25 | C30 | C29 | H37 | 179.9° | 179.8° |
| C26 | C25 | C30 | C29 | 0.1° | 0.5° |
| C25 | C26 | C27 | H34 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.1° |
| C26 | C25 | C24 | H32 | 15.3° | 150.3° |
| C26 | C25 | C24 | H33 | 102.9° | 30.2° |
| C25 | C26 | C27 | H35 | 180.0° | 180.0° |
| C26 | C25 | C30 | H38 | 179.9° | 179.7° |
| C30 | C29 | C28 | H37 | 180.0° | 179.7° |
| C30 | C29 | C28 | C27 | 0.0° | 0.2° |
| C30 | C29 | C28 | H36 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C28 | H35 | 180.0° | 179.9° |
| C26 | C27 | C28 | H36 | 180.0° | 179.9° |
| C29 | C28 | C27 | H36 | 180.0° | 180.0° |
| C29 | C28 | C27 | H35 | 180.0° | 180.0° |
| C28 | C29 | C30 | H38 | 180.0° | 179.7° |
| C40 | C38 | C39 | H44 | 115.2° | 120.0° |
| C40 | C38 | C39 | H45 | 51.0° | 180.0° |
| C40 | C38 | C39 | H46 | 171.0° | 60.0° |
| C40 | C38 | C39 | H47 | 69.0° | 60.0° |
| C38 | C40 | H48 | H49 | 120.0° | 120.0° |
| C38 | C40 | H48 | H50 | 120.0° | 120.0° |
| C38 | C40 | H49 | H50 | 120.0° | 120.0° |
| C38 | C39 | H45 | H46 | 120.0° | 120.0° |
| C38 | C39 | H45 | H47 | 120.0° | 120.0° |
| C38 | C39 | H46 | H47 | 120.0° | 120.0° |
| C39 | C38 | C40 | H48 | 51.7° | 180.0° |
| C39 | C38 | C40 | H49 | 68.3° | 60.0° |
| C39 | C38 | C40 | H50 | 171.7° | 60.0° |
| C28 | C27 | C26 | H34 | 179.9° | 180.0° |
| C27 | C28 | C29 | H37 | 180.0° | 180.0° |
| H2 | C3 | C4 | H4 | 170.9° | 34.9° |
| H2 | C3 | C4 | H5 | 47.4° | 158.6° |
| H3 | C3 | C4 | H4 | 48.4° | 88.5° |
| H3 | C3 | C4 | H5 | 75.2° | 35.2° |
| H4 | C4 | C5 | H6 | 40.4° | 86.4° |
| H4 | C4 | C5 | H7 | 161.8° | 35.9° |
| H5 | C4 | C5 | H6 | 83.2° | 37.4° |
| H5 | C4 | C5 | H7 | 38.2° | 159.7° |
| H8 | C6 | C7 | H10 | 102.1° | 25.6° |
| H8 | C6 | C7 | H11 | 20.2° | 147.5° |
| H9 | C6 | C7 | H10 | 18.9° | 98.1° |
| H9 | C6 | C7 | H11 | 141.2° | 23.8° |
| H12 | C11 | C18 | H21 | 64.6° | 60.1° |
| H12 | C11 | C18 | H22 | 55.4° | 59.9° |
| H12 | C11 | C18 | H23 | 175.4° | 180.0° |
| H13 | N13 | C19 | H24 | 163.9° | 145.0° |
| H14 | C15 | C16 | H16 | 178.7° | 180.0° |
| H14 | C15 | C16 | H17 | 59.3° | 60.0° |
| H15 | C15 | C16 | H16 | 61.8° | 60.0° |
| H15 | C15 | C16 | H17 | 178.8° | 180.0° |
| H16 | C16 | C17 | H18 | 59.7° | 180.0° |
| H16 | C16 | C17 | H19 | 179.7° | 60.1° |
| H16 | C16 | C17 | H20 | 60.3° | 60.0° |
| H17 | C16 | C17 | H18 | 59.7° | 60.1° |
| H17 | C16 | C17 | H19 | 60.3° | 180.0° |
| H17 | C16 | C17 | H20 | 179.7° | 60.0° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | H22 | H23 | 120.0° | 119.9° |
| H24 | C19 | C20 | H25 | 177.1° | 65.1° |
| H24 | C19 | C24 | H32 | 175.2° | 175.0° |
| H24 | C19 | C24 | H33 | 57.0° | 65.0° |
| H25 | C20 | C21 | H26 | 168.7° | 65.0° |
| H25 | C20 | C21 | H27 | 49.2° | 175.0° |
| H25 | C20 | O31 | H39 | 64.0° | 179.9° |
| H26 | C21 | N22 | H28 | 159.0° | 64.0° |
| H27 | C21 | N22 | H28 | 39.5° | 176.0° |
| H28 | N22 | C23 | H30 | 53.7° | 64.0° |
| H28 | N22 | C23 | H31 | 65.5° | 176.0° |
| H34 | C26 | C27 | H35 | 0.0° | 0.1° |
| H35 | C27 | C28 | H36 | 0.0° | 0.0° |
| H36 | C28 | C29 | H37 | 0.0° | 0.1° |
| H37 | C29 | C30 | H38 | 0.1° | 0.0° |
| H40 | C33 | C34 | H41 | 0.2° | 0.0° |
| H41 | C34 | C35 | H42 | 0.0° | 0.1° |
| H44 | C38 | C39 | H45 | 64.3° | 60.0° |
| H44 | C38 | C39 | H46 | 55.8° | 180.0° |
| H44 | C38 | C39 | H47 | 175.7° | 60.0° |
| H44 | C38 | C40 | H48 | 63.6° | 59.9° |
| H44 | C38 | C40 | H49 | 176.4° | 60.0° |
| H44 | C38 | C40 | H50 | 56.4° | 180.0° |
| H45 | C39 | H46 | H47 | 120.0° | 120.0° |
| H48 | C40 | H49 | H50 | 119.9° | 120.0° |
