XV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | O6 | sing | 1.45Å | 1.46Å | |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| O6 | C | sing | 1.35Å | 1.35Å | |
| C | O | doub | 1.22Å | 1.21Å | |
| C | N | sing | 1.35Å | 1.35Å | |
| N | C1 | sing | 1.46Å | 1.45Å | |
| O5 | C4 | doub | 1.21Å | 1.23Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | sing | 1.51Å | 1.55Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| N2 | C11 | sing | 1.47Å | 1.45Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C19 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | O3 | doub | 1.21Å | 1.22Å | |
| C19 | N3 | sing | 1.35Å | 1.36Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C20 | sing | 1.46Å | 1.46Å | |
| N3 | N4 | sing | 1.40Å | 1.41Å | |
| C21 | N4 | sing | 1.46Å | 1.48Å | |
| N4 | C28 | sing | 1.37Å | 1.39Å | |
| C28 | N6 | doub | 1.29Å | 1.27Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.08Å | 1.08Å | |
| C35 | H47 | sing | 1.08Å | 1.08Å | |
| C36 | H48 | sing | 1.08Å | 1.08Å | |
| C37 | H49 | sing | 1.08Å | 1.08Å | |
| C38 | H50 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | C33 | 120.2° | 120.0° |
| C34 | C35 | C36 | 120.5° | 120.0° |
| C35 | C34 | H46 | 119.9° | 120.0° |
| C34 | C35 | H47 | 119.8° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.0° |
| C34 | C33 | C38 | 119.2° | 120.0° |
| C33 | C34 | H46 | 119.9° | 120.0° |
| C33 | C32 | O6 | 110.9° | 109.4° |
| C32 | C33 | C38 | 120.5° | 120.0° |
| C33 | C32 | H44 | 109.1° | 109.5° |
| C33 | C32 | H45 | 109.1° | 109.5° |
| C32 | O6 | C | 115.6° | 117.0° |
| O6 | C32 | H44 | 109.1° | 109.4° |
| O6 | C32 | H45 | 109.1° | 109.4° |
| C35 | C36 | C37 | 119.5° | 120.0° |
| C36 | C35 | H47 | 119.7° | 120.0° |
| C35 | C36 | H48 | 120.2° | 120.0° |
| C33 | C38 | C37 | 120.1° | 120.0° |
| C33 | C38 | H50 | 119.9° | 120.0° |
| C36 | C37 | C38 | 120.6° | 120.0° |
| C37 | C36 | H48 | 120.3° | 120.0° |
| C36 | C37 | H49 | 119.7° | 120.0° |
| C38 | C37 | H49 | 119.7° | 120.0° |
| C37 | C38 | H50 | 120.0° | 120.0° |
| O6 | C | O | 124.2° | 120.0° |
| O6 | C | N | 110.9° | 120.0° |
| O | C | N | 124.8° | 120.0° |
| C | N | C1 | 118.6° | 120.0° |
| C | N | H4 | 120.7° | 120.0° |
| N | C1 | C4 | 106.2° | 109.5° |
| N | C1 | C2 | 111.7° | 109.5° |
| C1 | N | H4 | 120.7° | 120.0° |
| N | C1 | H | 109.9° | 109.5° |
| O5 | C4 | C1 | 120.2° | 120.0° |
| O5 | C4 | N1 | 123.0° | 120.0° |
| C8 | C6 | C5 | 109.6° | 109.5° |
| C8 | C6 | C9 | 109.1° | 109.4° |
| C8 | C6 | C7 | 109.4° | 109.5° |
| C6 | C8 | H15 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| C6 | C8 | H16 | 109.5° | 109.5° |
| C4 | C1 | C2 | 111.2° | 109.5° |
| C1 | C4 | N1 | 116.8° | 120.0° |
| C4 | C1 | H | 108.9° | 109.5° |
| C1 | C2 | C3 | 112.9° | 109.5° |
| C2 | C1 | H | 108.9° | 109.5° |
| C1 | C2 | H5 | 108.6° | 109.5° |
| C1 | C2 | H6 | 108.6° | 109.5° |
| C4 | N1 | C5 | 121.6° | 120.0° |
| C4 | N1 | H10 | 119.2° | 120.0° |
| C3 | C2 | H5 | 108.6° | 109.5° |
| C3 | C2 | H6 | 108.6° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| N1 | C5 | C6 | 111.5° | 109.5° |
| N1 | C5 | C10 | 107.0° | 109.4° |
| C5 | N1 | H10 | 119.2° | 120.0° |
| N1 | C5 | H1 | 108.9° | 109.5° |
| C5 | C6 | C9 | 110.5° | 109.5° |
| C5 | C6 | C7 | 109.0° | 109.5° |
| C6 | C5 | C10 | 114.1° | 109.5° |
| C6 | C5 | H1 | 107.6° | 109.5° |
| C9 | C6 | C7 | 109.3° | 109.4° |
| C6 | C9 | H19 | 109.5° | 109.5° |
| C6 | C9 | H18 | 109.4° | 109.5° |
| C6 | C9 | H17 | 109.4° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| C5 | C10 | N2 | 113.4° | 120.0° |
| C5 | C10 | O4 | 123.2° | 120.0° |
| C10 | C5 | H1 | 107.7° | 109.5° |
| C18 | C17 | C16 | 119.7° | 120.0° |
| C17 | C18 | C13 | 121.3° | 120.0° |
| C18 | C17 | H26 | 120.1° | 120.0° |
| C17 | C18 | H27 | 119.3° | 120.0° |
| C17 | C16 | C15 | 119.9° | 119.9° |
| C16 | C17 | H26 | 120.1° | 120.0° |
| C17 | C16 | H25 | 120.0° | 120.0° |
| C18 | C13 | C14 | 118.0° | 120.0° |
| C18 | C13 | C12 | 121.4° | 120.0° |
| C13 | C18 | H27 | 119.3° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H24 | 119.9° | 120.0° |
| C15 | C16 | H25 | 120.1° | 120.0° |
| N2 | C10 | O4 | 123.5° | 120.0° |
| C10 | N2 | C11 | 122.3° | 120.0° |
| C10 | N2 | H20 | 118.8° | 120.0° |
| N2 | C11 | C12 | 110.5° | 109.5° |
| N2 | C11 | C19 | 107.9° | 109.4° |
| N2 | C11 | H2 | 109.8° | 109.5° |
| C11 | N2 | H20 | 118.9° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C24 | C23 | C22 | 120.7° | 120.0° |
| C23 | C24 | H34 | 119.9° | 120.0° |
| C24 | C23 | H33 | 119.6° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C25 | C24 | H34 | 119.9° | 120.0° |
| C24 | C25 | H35 | 120.2° | 120.0° |
| C14 | C13 | C12 | 120.5° | 120.0° |
| C13 | C14 | C15 | 120.8° | 120.0° |
| C13 | C14 | H23 | 119.6° | 120.1° |
| C13 | C12 | C11 | 112.2° | 109.5° |
| C13 | C12 | H21 | 108.8° | 109.5° |
| C13 | C12 | H22 | 108.8° | 109.5° |
| C14 | C15 | H24 | 119.9° | 120.0° |
| C15 | C14 | H23 | 119.6° | 119.9° |
| C23 | C22 | C21 | 120.7° | 120.0° |
| C23 | C22 | C27 | 118.4° | 120.0° |
| C22 | C23 | H33 | 119.7° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C25 | C26 | H36 | 119.9° | 120.0° |
| C26 | C25 | H35 | 120.1° | 120.0° |
| C12 | C11 | C19 | 111.0° | 109.5° |
| C12 | C11 | H2 | 108.7° | 109.5° |
| C11 | C12 | H21 | 108.8° | 109.5° |
| C11 | C12 | H22 | 108.8° | 109.5° |
| C11 | C19 | O3 | 120.8° | 120.0° |
| C11 | C19 | N3 | 117.4° | 120.0° |
| C19 | C11 | H2 | 108.9° | 109.5° |
| C21 | C22 | C27 | 120.8° | 120.0° |
| C22 | C21 | N4 | 113.1° | 109.5° |
| C22 | C21 | H31 | 108.5° | 109.5° |
| C22 | C21 | H32 | 108.6° | 109.5° |
| C22 | C27 | C26 | 120.8° | 120.0° |
| C22 | C27 | H37 | 119.6° | 120.0° |
| O3 | C19 | N3 | 121.8° | 120.0° |
| C19 | N3 | C20 | 123.3° | 120.0° |
| C19 | N3 | N4 | 116.0° | 120.0° |
| C27 | C26 | H36 | 119.9° | 120.0° |
| C26 | C27 | H37 | 119.6° | 120.0° |
| C20 | N3 | N4 | 118.0° | 120.0° |
| N3 | C20 | H28 | 109.5° | 109.5° |
| N3 | C20 | H30 | 109.5° | 109.5° |
| N3 | C20 | H29 | 109.5° | 109.5° |
| N3 | N4 | C21 | 116.7° | 120.0° |
| N3 | N4 | C28 | 120.3° | 120.0° |
| C21 | N4 | C28 | 122.9° | 120.0° |
| N4 | C21 | H31 | 108.6° | 109.5° |
| N4 | C21 | H32 | 108.5° | 109.5° |
| N4 | C28 | N6 | 123.2° | 120.0° |
| N4 | C28 | H3 | 118.4° | 120.0° |
| N6 | C28 | H3 | 118.4° | 120.0° |
| C28 | N6 | H43 | 112.0° | 120.0° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.4° | 109.5° |
| H15 | C8 | H14 | 109.5° | 109.5° |
| H15 | C8 | H16 | 109.5° | 109.4° |
| H14 | C8 | H16 | 109.5° | 109.5° |
| H28 | C20 | H30 | 109.4° | 109.4° |
| H28 | C20 | H29 | 109.4° | 109.4° |
| H30 | C20 | H29 | 109.5° | 109.4° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.4° |
| H5 | C2 | H6 | 109.4° | 109.5° |
| H7 | C3 | H9 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C3 | H8 | 109.5° | 109.4° |
| H44 | C32 | H45 | 109.4° | 109.5° |
| H19 | C9 | H18 | 109.5° | 109.4° |
| H19 | C9 | H17 | 109.5° | 109.4° |
| H18 | C9 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | C33 | H46 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 178.7° | 180.0° |
| C34 | C35 | C36 | H47 | 180.0° | 179.9° |
| C35 | C34 | C33 | C38 | 0.1° | 0.3° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C34 | C35 | C36 | H48 | 180.0° | 180.0° |
| C34 | C33 | C32 | C38 | 178.8° | 179.7° |
| C34 | C33 | C32 | O6 | 147.9° | 89.7° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C34 | C33 | C38 | C37 | 0.1° | 0.5° |
| C34 | C33 | C32 | H44 | 27.7° | 30.2° |
| C34 | C33 | C32 | H45 | 91.8° | 150.3° |
| C33 | C34 | C35 | H47 | 179.9° | 179.9° |
| C34 | C33 | C38 | H50 | 179.9° | 179.7° |
| C33 | C32 | O6 | H44 | 120.2° | 120.0° |
| C33 | C32 | O6 | H45 | 120.2° | 120.0° |
| C32 | C33 | C38 | C37 | 178.7° | 179.7° |
| C33 | C32 | O6 | C | 65.9° | 180.0° |
| C33 | C32 | H44 | H45 | 119.3° | 120.1° |
| C32 | C33 | C34 | H46 | 1.3° | 0.0° |
| C32 | C33 | C38 | H50 | 1.3° | 0.0° |
| O6 | C32 | C33 | C38 | 30.9° | 90.0° |
| C32 | O6 | C | O | 4.4° | 0.1° |
| C32 | O6 | C | N | 178.4° | 180.0° |
| O6 | C32 | H44 | H45 | 119.4° | 120.0° |
| C35 | C36 | C37 | H48 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.2° |
| C36 | C35 | C34 | H46 | 179.9° | 180.0° |
| C35 | C36 | C37 | H49 | 179.9° | 180.0° |
| C33 | C38 | C37 | C36 | 0.0° | 0.5° |
| C33 | C38 | C37 | H50 | 180.0° | 179.7° |
| C38 | C33 | C32 | H44 | 151.1° | 150.0° |
| C38 | C33 | C32 | H45 | 89.3° | 29.9° |
| C38 | C33 | C34 | H46 | 179.8° | 179.7° |
| C33 | C38 | C37 | H49 | 180.0° | 179.7° |
| C36 | C37 | C38 | H49 | 180.0° | 179.8° |
| C37 | C36 | C35 | H47 | 179.9° | 180.0° |
| C36 | C37 | C38 | H50 | 180.0° | 179.8° |
| C38 | C37 | C36 | H48 | 179.9° | 179.8° |
| O6 | C | O | N | 176.8° | 179.9° |
| O6 | C | N | C1 | 177.2° | 180.0° |
| O6 | C | N | H4 | 2.9° | 0.1° |
| C | O6 | C32 | H44 | 54.4° | 60.1° |
| C | O6 | C32 | H45 | 173.9° | 60.0° |
| O | C | N | C1 | 5.6° | 0.1° |
| O | C | N | H4 | 174.3° | 180.0° |
| C | N | C1 | H4 | 180.0° | 179.9° |
| C | N | C1 | C4 | 59.0° | 155.1° |
| C | N | C1 | C2 | 179.6° | 85.0° |
| C | N | C1 | H | 58.6° | 35.1° |
| N | C1 | C4 | O5 | 34.0° | 0.0° |
| N | C1 | C4 | C2 | 121.7° | 120.0° |
| N | C1 | C4 | H | 118.3° | 120.0° |
| N | C1 | C2 | H | 121.5° | 120.0° |
| N | C1 | C4 | N1 | 146.3° | 180.0° |
| N | C1 | C2 | C3 | 55.5° | 65.0° |
| N | C1 | C2 | H5 | 65.0° | 55.0° |
| N | C1 | C2 | H6 | 176.1° | 175.0° |
| O5 | C4 | C1 | N1 | 179.7° | 179.9° |
| O5 | C4 | C1 | C2 | 87.7° | 120.0° |
| O5 | C4 | N1 | C5 | 1.3° | 0.0° |
| O5 | C4 | N1 | H10 | 178.7° | 179.7° |
| O5 | C4 | C1 | H | 152.3° | 120.0° |
| C8 | C6 | C5 | N1 | 60.3° | 60.1° |
| C8 | C6 | C5 | C9 | 120.3° | 120.0° |
| C8 | C6 | C5 | C7 | 119.6° | 120.0° |
| C8 | C6 | C9 | C7 | 119.6° | 120.0° |
| C8 | C6 | C5 | C10 | 178.4° | 179.9° |
| C8 | C6 | C5 | H1 | 59.0° | 59.9° |
| C8 | C6 | C7 | H11 | 180.0° | 59.7° |
| C8 | C6 | C7 | H12 | 60.0° | 60.3° |
| C8 | C6 | C7 | H13 | 60.0° | 179.7° |
| C6 | C8 | H15 | H14 | 120.0° | 120.1° |
| C6 | C8 | H15 | H16 | 120.0° | 120.0° |
| C6 | C8 | H14 | H16 | 120.0° | 120.0° |
| C8 | C6 | C9 | H19 | 180.0° | 180.0° |
| C8 | C6 | C9 | H18 | 60.0° | 60.0° |
| C8 | C6 | C9 | H17 | 60.0° | 60.1° |
| C4 | C1 | C2 | H | 120.0° | 120.0° |
| C4 | C1 | C2 | C3 | 174.0° | 175.0° |
| C1 | C4 | N1 | C5 | 178.3° | 180.0° |
| C1 | C4 | N1 | H10 | 1.7° | 0.2° |
| C4 | C1 | N | H4 | 121.0° | 25.0° |
| C4 | C1 | C2 | H5 | 53.5° | 65.0° |
| C4 | C1 | C2 | H6 | 65.5° | 55.0° |
| C2 | C1 | C4 | N1 | 92.0° | 60.0° |
| C1 | C2 | C3 | H5 | 120.5° | 120.0° |
| C1 | C2 | C3 | H6 | 120.5° | 120.0° |
| C2 | C1 | N | H4 | 0.4° | 95.0° |
| C1 | C2 | H5 | H6 | 118.4° | 120.0° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | H9 | 60.0° | 60.0° |
| C1 | C2 | C3 | H8 | 60.0° | 60.0° |
| C4 | N1 | C5 | H10 | 180.0° | 179.8° |
| C4 | N1 | C5 | C6 | 105.3° | 84.8° |
| C4 | N1 | C5 | C10 | 129.3° | 155.3° |
| C4 | N1 | C5 | H1 | 13.2° | 35.3° |
| N1 | C4 | C1 | H | 28.1° | 60.0° |
| C3 | C2 | C1 | H | 66.0° | 55.0° |
| C3 | C2 | H5 | H6 | 118.4° | 120.0° |
| C2 | C3 | H7 | H9 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C2 | C3 | H9 | H8 | 120.0° | 120.0° |
| N1 | C5 | C6 | C10 | 121.3° | 120.0° |
| N1 | C5 | C6 | H1 | 119.3° | 120.0° |
| N1 | C5 | C6 | C9 | 179.4° | 59.9° |
| N1 | C5 | C6 | C7 | 59.3° | 179.9° |
| N1 | C5 | C10 | H1 | 116.9° | 120.0° |
| N1 | C5 | C10 | N2 | 146.7° | 170.1° |
| N1 | C5 | C10 | O4 | 34.1° | 9.9° |
| C5 | C6 | C9 | C7 | 119.9° | 120.0° |
| C6 | C5 | C10 | H1 | 119.3° | 120.0° |
| C6 | C5 | C10 | N2 | 89.6° | 69.9° |
| C6 | C5 | C10 | O4 | 89.6° | 110.1° |
| C6 | C5 | N1 | H10 | 74.6° | 95.0° |
| C5 | C6 | C7 | H11 | 60.2° | 60.3° |
| C5 | C6 | C7 | H12 | 179.7° | 179.7° |
| C5 | C6 | C7 | H13 | 59.8° | 59.7° |
| C5 | C6 | C8 | H15 | 180.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 180.0° |
| C5 | C6 | C8 | H16 | 60.0° | 60.0° |
| C5 | C6 | C9 | H19 | 59.4° | 60.0° |
| C5 | C6 | C9 | H18 | 60.6° | 180.0° |
| C5 | C6 | C9 | H17 | 179.5° | 59.9° |
| C9 | C6 | C5 | C10 | 58.1° | 60.1° |
| C9 | C6 | C5 | H1 | 61.2° | 179.9° |
| C9 | C6 | C7 | H11 | 60.6° | 179.7° |
| C9 | C6 | C7 | H12 | 59.5° | 59.7° |
| C9 | C6 | C7 | H13 | 179.4° | 60.4° |
| C9 | C6 | C8 | H15 | 58.9° | 60.1° |
| C9 | C6 | C8 | H14 | 61.1° | 60.0° |
| C9 | C6 | C8 | H16 | 178.9° | 180.0° |
| C6 | C9 | H19 | H18 | 120.0° | 120.0° |
| C6 | C9 | H19 | H17 | 120.0° | 120.0° |
| C6 | C9 | H18 | H17 | 120.0° | 120.1° |
| C7 | C6 | C5 | C10 | 62.0° | 59.9° |
| C7 | C6 | C5 | H1 | 178.6° | 60.1° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H13 | 120.0° | 120.0° |
| C6 | C7 | H12 | H13 | 120.0° | 120.0° |
| C7 | C6 | C8 | H15 | 60.6° | 180.0° |
| C7 | C6 | C8 | H14 | 179.4° | 60.0° |
| C7 | C6 | C8 | H16 | 59.4° | 60.0° |
| C7 | C6 | C9 | H19 | 60.5° | 60.0° |
| C7 | C6 | C9 | H18 | 179.5° | 60.0° |
| C7 | C6 | C9 | H17 | 59.6° | 179.9° |
| C5 | C10 | N2 | O4 | 179.2° | 180.0° |
| C5 | C10 | N2 | C11 | 167.4° | 174.8° |
| C10 | C5 | N1 | H10 | 50.7° | 25.0° |
| C5 | C10 | N2 | H20 | 12.6° | 5.2° |
| C18 | C17 | C16 | H26 | 180.0° | 179.5° |
| C17 | C18 | C13 | H27 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.6° | 0.8° |
| C17 | C18 | C13 | C14 | 0.7° | 0.0° |
| C17 | C18 | C13 | C12 | 176.7° | 179.7° |
| C18 | C17 | C16 | H25 | 179.4° | 180.0° |
| C16 | C17 | C18 | C13 | 0.1° | 0.5° |
| C17 | C16 | C15 | H25 | 180.0° | 179.2° |
| C17 | C16 | C15 | C14 | 0.3° | 0.5° |
| C17 | C16 | C15 | H24 | 179.7° | 179.5° |
| C16 | C17 | C18 | H27 | 179.9° | 179.5° |
| C18 | C13 | C14 | C12 | 177.4° | 179.7° |
| C18 | C13 | C14 | C15 | 1.0° | 0.3° |
| C18 | C13 | C12 | C11 | 88.4° | 86.5° |
| C13 | C18 | C17 | H26 | 180.0° | 180.0° |
| C18 | C13 | C12 | H21 | 151.2° | 33.6° |
| C18 | C13 | C12 | H22 | 31.9° | 153.5° |
| C18 | C13 | C14 | H23 | 179.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | H24 | 180.0° | 180.0° |
| C15 | C16 | C17 | H26 | 179.4° | 179.7° |
| C16 | C15 | C14 | H23 | 179.5° | 180.0° |
| C10 | N2 | C11 | H20 | 180.0° | 180.0° |
| C10 | N2 | C11 | C12 | 114.0° | 85.0° |
| C10 | N2 | C11 | C19 | 124.5° | 155.0° |
| N2 | C10 | C5 | H1 | 29.8° | 50.1° |
| C10 | N2 | C11 | H2 | 5.9° | 35.0° |
| O4 | C10 | N2 | C11 | 13.4° | 5.2° |
| O4 | C10 | C5 | H1 | 151.0° | 129.8° |
| O4 | C10 | N2 | H20 | 166.6° | 174.8° |
| N2 | C11 | C12 | C13 | 57.1° | 67.3° |
| N2 | C11 | C12 | C19 | 119.7° | 120.0° |
| N2 | C11 | C12 | H2 | 120.6° | 120.0° |
| N2 | C11 | C19 | H2 | 119.2° | 120.0° |
| N2 | C11 | C19 | O3 | 111.0° | 23.0° |
| N2 | C11 | C19 | N3 | 67.5° | 157.1° |
| N2 | C11 | C12 | H21 | 177.4° | 172.7° |
| N2 | C11 | C12 | H22 | 63.3° | 52.7° |
| C23 | C24 | C25 | H34 | 180.0° | 180.0° |
| C24 | C23 | C22 | H33 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.3° |
| C24 | C23 | C22 | C21 | 179.1° | 180.0° |
| C24 | C23 | C22 | C27 | 0.2° | 0.3° |
| C23 | C24 | C25 | H35 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.1° |
| C24 | C25 | C26 | H35 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 0.0° | 0.3° |
| C24 | C25 | C26 | H36 | 180.0° | 179.7° |
| C25 | C24 | C23 | H33 | 179.9° | 180.0° |
| C13 | C14 | C15 | H23 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 88.9° | 93.8° |
| C13 | C14 | C15 | H24 | 179.4° | 180.0° |
| C14 | C13 | C12 | H21 | 31.5° | 146.2° |
| C14 | C13 | C12 | H22 | 150.7° | 26.2° |
| C14 | C13 | C18 | H27 | 179.3° | 180.0° |
| C12 | C13 | C14 | C15 | 176.4° | 180.0° |
| C13 | C12 | C11 | H21 | 120.4° | 120.0° |
| C13 | C12 | C11 | H22 | 120.4° | 120.0° |
| C13 | C12 | C11 | C19 | 176.8° | 172.8° |
| C13 | C12 | C11 | H2 | 63.5° | 52.7° |
| C13 | C12 | H21 | H22 | 118.8° | 120.0° |
| C12 | C13 | C14 | H23 | 3.6° | 0.0° |
| C12 | C13 | C18 | H27 | 3.3° | 0.3° |
| C14 | C15 | C16 | H25 | 179.7° | 179.7° |
| C23 | C22 | C21 | C27 | 179.3° | 179.7° |
| C23 | C22 | C27 | C26 | 0.2° | 0.3° |
| C23 | C22 | C21 | N4 | 131.3° | 97.3° |
| C23 | C22 | C21 | H31 | 10.7° | 22.7° |
| C23 | C22 | C21 | H32 | 108.2° | 142.7° |
| C22 | C23 | C24 | H34 | 179.8° | 179.9° |
| C23 | C22 | C27 | H37 | 179.8° | 179.6° |
| C25 | C26 | C27 | C22 | 0.0° | 0.0° |
| C25 | C26 | C27 | H36 | 180.0° | 180.0° |
| C26 | C25 | C24 | H34 | 180.0° | 179.8° |
| C25 | C26 | C27 | H37 | 179.9° | 179.9° |
| C12 | C11 | C19 | H2 | 119.6° | 120.0° |
| C12 | C11 | C19 | O3 | 10.3° | 97.0° |
| C12 | C11 | C19 | N3 | 171.3° | 82.9° |
| C11 | C12 | H21 | H22 | 118.8° | 120.0° |
| C12 | C11 | N2 | H20 | 66.0° | 95.0° |
| C11 | C19 | O3 | N3 | 178.4° | 179.9° |
| C11 | C19 | N3 | C20 | 8.7° | 174.9° |
| C11 | C19 | N3 | N4 | 169.7° | 5.0° |
| C19 | C11 | C12 | H21 | 62.8° | 52.7° |
| C19 | C11 | C12 | H22 | 56.4° | 67.3° |
| C19 | C11 | N2 | H20 | 55.6° | 25.0° |
| C21 | C22 | C27 | C26 | 179.2° | 179.9° |
| C22 | C21 | N4 | N3 | 60.2° | 92.2° |
| C22 | C21 | N4 | H31 | 120.5° | 120.0° |
| C22 | C21 | N4 | H32 | 120.6° | 120.0° |
| C22 | C21 | N4 | C28 | 122.9° | 87.9° |
| C22 | C21 | H31 | H32 | 118.3° | 120.0° |
| C21 | C22 | C23 | H33 | 0.9° | 0.1° |
| C21 | C22 | C27 | H37 | 0.9° | 0.0° |
| C22 | C27 | C26 | H37 | 180.0° | 179.9° |
| C27 | C22 | C21 | N4 | 48.0° | 82.3° |
| C27 | C22 | C21 | H31 | 168.6° | 157.6° |
| C27 | C22 | C21 | H32 | 72.5° | 37.7° |
| C22 | C27 | C26 | H36 | 179.9° | 180.0° |
| C27 | C22 | C23 | H33 | 179.8° | 179.8° |
| O3 | C19 | N3 | C20 | 172.9° | 5.2° |
| O3 | C19 | N3 | N4 | 11.8° | 174.9° |
| O3 | C19 | C11 | H2 | 129.8° | 143.0° |
| C19 | N3 | C20 | N4 | 160.7° | 179.9° |
| C19 | N3 | N4 | C21 | 100.6° | 99.5° |
| C19 | N3 | N4 | C28 | 76.4° | 80.6° |
| C19 | N3 | C20 | H28 | 180.0° | 90.0° |
| C19 | N3 | C20 | H30 | 60.0° | 29.9° |
| C19 | N3 | C20 | H29 | 60.0° | 150.0° |
| N3 | C19 | C11 | H2 | 51.7° | 37.1° |
| C27 | C26 | C25 | H35 | 180.0° | 180.0° |
| C20 | N3 | N4 | C21 | 97.3° | 80.4° |
| C20 | N3 | N4 | C28 | 85.7° | 99.5° |
| N3 | C20 | H28 | H30 | 120.0° | 120.0° |
| N3 | C20 | H28 | H29 | 120.0° | 120.0° |
| N3 | C20 | H30 | H29 | 120.0° | 120.1° |
| N3 | N4 | C21 | C28 | 176.9° | 179.9° |
| N3 | N4 | C28 | N6 | 164.2° | 180.0° |
| N4 | N3 | C20 | H28 | 19.3° | 90.1° |
| N4 | N3 | C20 | H30 | 139.3° | 150.0° |
| N4 | N3 | C20 | H29 | 100.7° | 29.9° |
| N3 | N4 | C21 | H31 | 60.3° | 27.8° |
| N3 | N4 | C21 | H32 | 179.2° | 147.8° |
| N3 | N4 | C28 | H3 | 15.8° | 0.0° |
| C21 | N4 | C28 | N6 | 12.6° | 0.1° |
| N4 | C21 | H31 | H32 | 118.3° | 120.0° |
| C21 | N4 | C28 | H3 | 167.4° | 180.0° |
| N4 | C28 | N6 | H3 | 180.0° | 179.9° |
| C28 | N4 | C21 | H31 | 116.6° | 152.1° |
| C28 | N4 | C21 | H32 | 2.4° | 32.1° |
| N4 | C28 | N6 | H43 | 180.0° | 180.0° |
| H10 | N1 | C5 | H1 | 166.8° | 144.9° |
| H11 | C7 | H12 | H13 | 120.0° | 120.0° |
| H15 | C8 | H14 | H16 | 120.0° | 120.0° |
| H24 | C15 | C14 | H23 | 0.6° | 0.0° |
| H24 | C15 | C16 | H25 | 0.2° | 0.3° |
| H26 | C17 | C16 | H25 | 0.5° | 0.5° |
| H26 | C17 | C18 | H27 | 0.1° | 0.0° |
| H28 | C20 | H30 | H29 | 119.9° | 119.9° |
| H34 | C24 | C23 | H33 | 0.2° | 0.0° |
| H34 | C24 | C25 | H35 | 0.0° | 0.1° |
| H36 | C26 | C25 | H35 | 0.0° | 0.0° |
| H36 | C26 | C27 | H37 | 0.1° | 0.1° |
| H3 | C28 | N6 | H43 | 0.0° | 0.1° |
| H4 | N | C1 | H | 121.3° | 145.0° |
| H | C1 | C2 | H5 | 173.5° | 175.0° |
| H | C1 | C2 | H6 | 54.5° | 65.0° |
| H2 | C11 | C12 | H21 | 56.8° | 67.3° |
| H2 | C11 | C12 | H22 | 176.1° | 172.7° |
| H2 | C11 | N2 | H20 | 174.1° | 145.0° |
| H5 | C2 | C3 | H7 | 59.4° | 60.0° |
| H5 | C2 | C3 | H9 | 179.4° | 180.0° |
| H5 | C2 | C3 | H8 | 60.6° | 60.0° |
| H6 | C2 | C3 | H7 | 59.5° | 60.0° |
| H6 | C2 | C3 | H9 | 60.5° | 60.0° |
| H6 | C2 | C3 | H8 | 179.5° | 180.0° |
| H7 | C3 | H9 | H8 | 120.0° | 120.0° |
| H46 | C34 | C35 | H47 | 0.1° | 0.0° |
| H47 | C35 | C36 | H48 | 0.0° | 0.0° |
| H48 | C36 | C37 | H49 | 0.1° | 0.0° |
| H49 | C37 | C38 | H50 | 0.0° | 0.0° |
| H19 | C9 | H18 | H17 | 120.0° | 119.9° |
