XM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C7 | O8 | sing | 1.45Å | 1.42Å | |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| O8 | C9 | sing | 1.35Å | 1.45Å | |
| C29 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| O29 | C9 | doub | 1.21Å | 1.21Å | |
| C9 | N10 | sing | 1.35Å | 1.32Å | |
| C18 | C34 | sing | 1.51Å | 1.51Å | |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| C34 | C14 | sing | 1.53Å | 1.52Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | C30 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C16 | C8 | sing | 1.53Å | 1.51Å | |
| C12 | O33 | doub | 1.21Å | 1.21Å | |
| O32 | C8 | sing | 1.43Å | 1.42Å | |
| O32 | C30 | sing | 1.43Å | 1.42Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C13 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C15 | O38 | doub | 1.21Å | 1.22Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C32 | C17 | sing | 1.53Å | 1.53Å | |
| C32 | O34 | sing | 1.43Å | 1.43Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| O26 | C24 | doub | 1.21Å | 1.21Å | |
| C24 | N23 | sing | 1.34Å | 1.33Å | |
| C21 | C22 | sing | 1.54Å | 1.52Å | |
| N23 | C22 | sing | 1.47Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N13 | H40 | sing | 0.97Å | 1.00Å | |
| N16 | H41 | sing | 0.97Å | 1.00Å | |
| O34 | H42 | sing | 0.97Å | 0.95Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| N23 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C28 | 121.2° | 120.0° |
| C26 | C25 | C23 | 120.8° | 120.0° |
| C26 | C25 | H22 | 119.6° | 120.0° |
| C25 | C26 | H23 | 119.4° | 120.0° |
| C26 | C28 | C29 | 117.6° | 120.0° |
| C28 | C26 | H23 | 119.4° | 120.0° |
| C26 | C28 | H24 | 121.2° | 120.0° |
| C25 | C23 | C18 | 118.4° | 120.1° |
| C25 | C23 | H21 | 120.8° | 120.0° |
| C23 | C25 | H22 | 119.6° | 120.0° |
| C6 | C5 | C4 | 119.8° | 120.0° |
| C5 | C6 | C1 | 121.0° | 120.0° |
| C6 | C5 | H35 | 120.1° | 120.0° |
| C5 | C6 | H36 | 119.5° | 120.0° |
| C5 | C4 | C7 | 120.3° | 120.0° |
| C5 | C4 | C3 | 119.3° | 120.0° |
| C4 | C5 | H35 | 120.1° | 120.0° |
| C4 | C7 | O8 | 109.8° | 109.5° |
| C7 | C4 | C3 | 120.4° | 120.0° |
| C4 | C7 | H37 | 109.4° | 109.5° |
| C4 | C7 | H38 | 109.4° | 109.5° |
| C7 | O8 | C9 | 121.1° | 117.0° |
| O8 | C7 | H37 | 109.4° | 109.5° |
| O8 | C7 | H38 | 109.4° | 109.4° |
| C28 | C29 | C18 | 121.9° | 120.0° |
| C29 | C28 | H24 | 121.2° | 120.0° |
| C28 | C29 | H25 | 119.0° | 120.0° |
| C6 | C1 | C2 | 119.3° | 120.0° |
| C6 | C1 | H1 | 120.4° | 120.0° |
| C1 | C6 | H36 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C4 | C3 | H26 | 119.6° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C2 | C1 | H1 | 120.3° | 119.9° |
| C1 | C2 | H16 | 120.1° | 120.0° |
| C3 | C2 | H16 | 120.1° | 120.0° |
| C2 | C3 | H26 | 119.6° | 120.0° |
| C23 | C18 | C29 | 120.1° | 120.0° |
| C23 | C18 | C34 | 121.7° | 120.0° |
| C18 | C23 | H21 | 120.8° | 120.0° |
| O8 | C9 | O29 | 119.2° | 120.0° |
| O8 | C9 | N10 | 118.3° | 120.0° |
| C29 | C18 | C34 | 118.2° | 120.0° |
| C18 | C29 | H25 | 119.0° | 120.0° |
| O29 | C9 | N10 | 122.5° | 120.0° |
| C9 | N10 | C11 | 122.1° | 120.0° |
| C9 | N10 | H39 | 118.9° | 120.0° |
| C18 | C34 | C14 | 114.3° | 109.5° |
| C18 | C34 | H33 | 108.3° | 109.5° |
| C18 | C34 | H34 | 108.2° | 109.5° |
| N10 | C11 | C12 | 110.9° | 109.4° |
| N10 | C11 | C30 | 108.2° | 109.5° |
| N10 | C11 | H5 | 109.8° | 109.5° |
| C11 | N10 | H39 | 118.9° | 120.0° |
| C34 | C14 | N13 | 110.0° | 109.5° |
| C34 | C14 | C15 | 104.8° | 109.5° |
| C34 | C14 | H9 | 109.2° | 109.5° |
| C14 | C34 | H33 | 108.2° | 109.5° |
| C14 | C34 | H34 | 108.3° | 109.5° |
| C14 | N13 | C12 | 123.2° | 120.0° |
| N13 | C14 | C15 | 113.0° | 109.4° |
| N13 | C14 | H9 | 110.1° | 109.5° |
| C14 | N13 | H40 | 118.4° | 120.0° |
| N13 | C12 | C11 | 117.5° | 120.0° |
| N13 | C12 | O33 | 122.9° | 120.0° |
| C12 | N13 | H40 | 118.4° | 120.0° |
| C12 | C11 | C30 | 110.1° | 109.5° |
| C11 | C12 | O33 | 119.6° | 120.0° |
| C12 | C11 | H5 | 109.0° | 109.5° |
| C11 | C30 | O32 | 109.5° | 109.5° |
| C11 | C30 | C31 | 111.4° | 109.5° |
| C30 | C11 | H5 | 108.8° | 109.5° |
| C11 | C30 | H27 | 108.3° | 109.4° |
| C14 | C15 | N16 | 117.7° | 120.0° |
| C14 | C15 | O38 | 119.2° | 120.0° |
| C15 | C14 | H9 | 109.5° | 109.5° |
| C16 | C8 | O32 | 107.8° | 109.5° |
| C16 | C8 | C10 | 110.2° | 109.5° |
| C16 | C8 | C13 | 110.3° | 109.5° |
| C8 | C16 | H10 | 109.5° | 109.5° |
| C8 | C16 | H11 | 109.5° | 109.5° |
| C8 | C16 | H12 | 109.5° | 109.5° |
| C8 | O32 | C30 | 119.9° | 114.0° |
| O32 | C8 | C10 | 110.4° | 109.5° |
| O32 | C8 | C13 | 108.5° | 109.4° |
| O32 | C30 | C31 | 109.8° | 109.5° |
| O32 | C30 | H27 | 109.6° | 109.5° |
| C10 | C8 | C13 | 109.6° | 109.4° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.4° | 109.5° |
| C8 | C10 | H4 | 109.5° | 109.5° |
| C8 | C13 | H6 | 109.5° | 109.5° |
| C8 | C13 | H7 | 109.4° | 109.5° |
| C8 | C13 | H8 | 109.5° | 109.5° |
| C31 | C30 | H27 | 108.3° | 109.5° |
| C30 | C31 | H28 | 109.5° | 109.5° |
| C30 | C31 | H29 | 109.4° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| N16 | C15 | O38 | 123.1° | 120.0° |
| C15 | N16 | C17 | 125.2° | 120.0° |
| C15 | N16 | H41 | 117.4° | 120.0° |
| N16 | C17 | C32 | 113.3° | 109.5° |
| N16 | C17 | C19 | 107.4° | 109.5° |
| N16 | C17 | H13 | 107.7° | 109.5° |
| C17 | N16 | H41 | 117.4° | 120.0° |
| C17 | C32 | O34 | 114.5° | 109.5° |
| C32 | C17 | C19 | 114.3° | 109.4° |
| C32 | C17 | H13 | 106.8° | 109.5° |
| C17 | C32 | H31 | 108.2° | 109.4° |
| C17 | C32 | H32 | 108.2° | 109.5° |
| O34 | C32 | H31 | 108.2° | 109.5° |
| O34 | C32 | H32 | 108.2° | 109.5° |
| C32 | O34 | H42 | 109.5° | 114.0° |
| C17 | C19 | C20 | 108.7° | 109.4° |
| C19 | C17 | H13 | 106.9° | 109.5° |
| C17 | C19 | H14 | 109.7° | 109.5° |
| C17 | C19 | H15 | 109.7° | 109.5° |
| C19 | C20 | C24 | 112.0° | 110.4° |
| C19 | C20 | C21 | 111.0° | 110.5° |
| C20 | C19 | H14 | 109.7° | 109.4° |
| C20 | C19 | H15 | 109.7° | 109.4° |
| C19 | C20 | H17 | 109.6° | 110.5° |
| C24 | C20 | C21 | 104.4° | 104.2° |
| C20 | C24 | O26 | 122.9° | 125.0° |
| C20 | C24 | N23 | 111.0° | 110.1° |
| C24 | C20 | H17 | 110.0° | 110.5° |
| C20 | C21 | C22 | 106.1° | 101.8° |
| C21 | C20 | H17 | 109.7° | 110.6° |
| C20 | C21 | H18 | 110.3° | 111.0° |
| C20 | C21 | H19 | 110.3° | 110.9° |
| O26 | C24 | N23 | 126.1° | 124.9° |
| C24 | N23 | C22 | 112.9° | 111.3° |
| C24 | N23 | H44 | 123.6° | 124.3° |
| C21 | C22 | N23 | 105.5° | 105.5° |
| C22 | C21 | H18 | 110.3° | 111.0° |
| C22 | C21 | H19 | 110.3° | 111.0° |
| C21 | C22 | H20 | 110.4° | 110.2° |
| C21 | C22 | H43 | 110.5° | 110.2° |
| N23 | C22 | H20 | 110.5° | 110.2° |
| N23 | C22 | H43 | 110.5° | 110.3° |
| C22 | N23 | H44 | 123.5° | 124.4° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H4 | 109.4° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.4° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H10 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 110.9° |
| H20 | C22 | H43 | 109.5° | 110.2° |
| H28 | C31 | H29 | 109.5° | 109.4° |
| H28 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.5° | 109.5° |
| H33 | C34 | H34 | 109.5° | 109.4° |
| H37 | C7 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C28 | H23 | 180.0° | 180.0° |
| C26 | C25 | C23 | H22 | 180.0° | 179.9° |
| C25 | C26 | C28 | C29 | 0.1° | 0.2° |
| C26 | C25 | C23 | C18 | 0.4° | 0.0° |
| C26 | C25 | C23 | H21 | 179.6° | 180.0° |
| C25 | C26 | C28 | H24 | 179.9° | 180.0° |
| C28 | C26 | C25 | C23 | 0.2° | 0.1° |
| C26 | C28 | C29 | H24 | 180.0° | 179.8° |
| C26 | C28 | C29 | C18 | 0.3° | 0.5° |
| C28 | C26 | C25 | H22 | 179.8° | 180.0° |
| C26 | C28 | C29 | H25 | 179.7° | 180.0° |
| C25 | C23 | C18 | H21 | 180.0° | 180.0° |
| C25 | C23 | C18 | C29 | 0.6° | 0.3° |
| C25 | C23 | C18 | C34 | 179.9° | 180.0° |
| C23 | C25 | C26 | H23 | 179.8° | 179.9° |
| C6 | C5 | C4 | H35 | 180.0° | 179.5° |
| C6 | C5 | C4 | C7 | 179.2° | 179.8° |
| C5 | C6 | C1 | H36 | 180.0° | 179.5° |
| C6 | C5 | C4 | C3 | 0.4° | 0.2° |
| C5 | C6 | C1 | C2 | 1.3° | 0.5° |
| C5 | C6 | C1 | H1 | 178.7° | 179.7° |
| C5 | C4 | C7 | C3 | 179.6° | 180.0° |
| C5 | C4 | C7 | O8 | 124.4° | 90.0° |
| C4 | C5 | C6 | C1 | 1.0° | 0.5° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | H26 | 179.9° | 179.9° |
| C4 | C5 | C6 | H36 | 179.0° | 180.0° |
| C5 | C4 | C7 | H37 | 4.3° | 30.0° |
| C5 | C4 | C7 | H38 | 115.6° | 150.1° |
| C4 | C7 | O8 | H37 | 120.0° | 120.0° |
| C4 | C7 | O8 | H38 | 120.0° | 120.0° |
| C7 | C4 | C3 | C2 | 179.5° | 180.0° |
| C4 | C7 | O8 | C9 | 69.8° | 180.0° |
| C7 | C4 | C3 | H26 | 0.4° | 0.0° |
| C7 | C4 | C5 | H35 | 0.8° | 0.3° |
| C4 | C7 | H37 | H38 | 119.8° | 120.0° |
| O8 | C7 | C4 | C3 | 56.0° | 90.0° |
| C7 | O8 | C9 | O29 | 10.8° | 0.0° |
| C7 | O8 | C9 | N10 | 169.2° | 180.0° |
| O8 | C7 | H37 | H38 | 119.9° | 120.0° |
| C28 | C29 | C18 | C23 | 0.5° | 0.6° |
| C28 | C29 | C18 | H25 | 180.0° | 179.4° |
| C28 | C29 | C18 | C34 | 179.9° | 179.7° |
| C29 | C28 | C26 | H23 | 179.9° | 179.8° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.9° | 0.3° |
| C6 | C1 | C2 | H16 | 179.0° | 179.7° |
| C1 | C6 | C5 | H35 | 179.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C4 | C3 | C2 | H26 | 180.0° | 180.0° |
| C4 | C3 | C2 | H16 | 179.6° | 180.0° |
| C3 | C4 | C5 | H35 | 179.6° | 179.7° |
| C3 | C4 | C7 | H37 | 176.1° | 150.0° |
| C3 | C4 | C7 | H38 | 64.0° | 30.0° |
| C1 | C2 | C3 | H16 | 180.0° | 180.0° |
| C1 | C2 | C3 | H26 | 179.6° | 180.0° |
| C2 | C1 | C6 | H36 | 178.7° | 180.0° |
| C3 | C2 | C1 | H1 | 179.1° | 180.0° |
| C23 | C18 | C29 | C34 | 179.6° | 179.7° |
| C23 | C18 | C34 | C14 | 8.9° | 90.0° |
| C18 | C23 | C25 | H22 | 179.6° | 179.9° |
| C23 | C18 | C29 | H25 | 179.4° | 180.0° |
| C23 | C18 | C34 | H33 | 111.8° | 30.0° |
| C23 | C18 | C34 | H34 | 129.6° | 150.0° |
| O8 | C9 | O29 | N10 | 179.9° | 179.9° |
| O8 | C9 | N10 | C11 | 167.6° | 175.2° |
| C9 | O8 | C7 | H37 | 170.2° | 60.0° |
| C9 | O8 | C7 | H38 | 50.3° | 60.0° |
| O8 | C9 | N10 | H39 | 12.3° | 4.8° |
| C29 | C18 | C34 | C14 | 171.6° | 90.3° |
| C29 | C18 | C23 | H21 | 179.4° | 179.7° |
| C18 | C29 | C28 | H24 | 179.7° | 179.7° |
| C29 | C18 | C34 | H33 | 67.7° | 149.7° |
| C29 | C18 | C34 | H34 | 50.9° | 29.8° |
| O29 | C9 | N10 | C11 | 12.4° | 4.9° |
| O29 | C9 | N10 | H39 | 167.6° | 175.2° |
| C9 | N10 | C11 | H39 | 180.0° | 179.9° |
| C9 | N10 | C11 | C12 | 112.9° | 146.3° |
| C9 | N10 | C11 | C30 | 126.2° | 93.7° |
| C9 | N10 | C11 | H5 | 7.6° | 26.4° |
| C18 | C34 | C14 | H33 | 120.7° | 120.0° |
| C18 | C34 | C14 | H34 | 120.7° | 120.1° |
| C18 | C34 | C14 | N13 | 63.9° | 65.0° |
| C18 | C34 | C14 | C15 | 174.3° | 175.0° |
| C18 | C34 | C14 | H9 | 57.1° | 55.0° |
| C34 | C18 | C23 | H21 | 0.1° | 0.1° |
| C34 | C18 | C29 | H25 | 0.1° | 0.3° |
| C18 | C34 | H33 | H34 | 117.8° | 120.0° |
| N10 | C11 | C12 | N13 | 106.6° | 166.8° |
| N10 | C11 | C12 | C30 | 119.8° | 120.0° |
| N10 | C11 | C12 | H5 | 121.0° | 120.0° |
| N10 | C11 | C30 | H5 | 119.2° | 120.0° |
| N10 | C11 | C12 | O33 | 73.4° | 13.2° |
| N10 | C11 | C30 | O32 | 68.0° | 62.0° |
| N10 | C11 | C30 | C31 | 170.4° | 58.0° |
| N10 | C11 | C30 | H27 | 51.4° | 178.0° |
| C34 | C14 | N13 | C15 | 116.8° | 120.0° |
| C34 | C14 | N13 | H9 | 120.4° | 120.0° |
| C34 | C14 | N13 | C12 | 164.5° | 85.0° |
| C34 | C14 | C15 | H9 | 117.0° | 120.0° |
| C34 | C14 | C15 | N16 | 125.5° | 60.0° |
| C34 | C14 | C15 | O38 | 53.8° | 120.0° |
| C14 | C34 | H33 | H34 | 117.8° | 120.0° |
| C34 | C14 | N13 | H40 | 15.5° | 95.0° |
| C14 | N13 | C12 | H40 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 169.1° | 174.8° |
| N13 | C14 | C15 | H9 | 123.2° | 120.0° |
| C14 | N13 | C12 | O33 | 10.9° | 5.2° |
| N13 | C14 | C15 | N16 | 114.7° | 180.0° |
| N13 | C14 | C15 | O38 | 66.0° | 0.0° |
| N13 | C14 | C34 | H33 | 175.4° | 55.0° |
| N13 | C14 | C34 | H34 | 56.8° | 174.9° |
| N13 | C12 | C11 | O33 | 180.0° | 179.9° |
| N13 | C12 | C11 | C30 | 133.6° | 73.2° |
| C12 | N13 | C14 | C15 | 47.7° | 155.0° |
| N13 | C12 | C11 | H5 | 14.4° | 46.9° |
| C12 | N13 | C14 | H9 | 75.1° | 35.0° |
| C12 | C11 | C30 | H5 | 119.4° | 120.0° |
| C12 | C11 | C30 | O32 | 170.6° | 58.0° |
| C12 | C11 | C30 | C31 | 49.0° | 178.0° |
| C12 | C11 | C30 | H27 | 70.0° | 62.0° |
| C12 | C11 | N10 | H39 | 67.1° | 33.8° |
| C11 | C12 | N13 | H40 | 10.9° | 5.2° |
| C30 | C11 | C12 | O33 | 46.3° | 106.8° |
| C11 | C30 | O32 | C8 | 117.0° | 140.5° |
| C11 | C30 | O32 | C31 | 122.6° | 120.0° |
| C11 | C30 | O32 | H27 | 118.6° | 120.0° |
| C11 | C30 | C31 | H27 | 118.9° | 120.0° |
| C11 | C30 | C31 | H28 | 180.0° | 66.1° |
| C11 | C30 | C31 | H29 | 60.0° | 174.0° |
| C11 | C30 | C31 | H30 | 60.0° | 53.9° |
| C30 | C11 | N10 | H39 | 53.8° | 86.3° |
| C14 | C15 | N16 | O38 | 179.3° | 179.9° |
| C14 | C15 | N16 | C17 | 159.4° | 180.0° |
| C15 | C14 | C34 | H33 | 53.6° | 64.9° |
| C15 | C14 | C34 | H34 | 65.0° | 55.0° |
| C15 | C14 | N13 | H40 | 132.3° | 25.0° |
| C14 | C15 | N16 | H41 | 20.6° | 0.1° |
| C16 | C8 | O32 | C10 | 120.5° | 120.0° |
| C16 | C8 | O32 | C13 | 119.4° | 120.0° |
| C16 | C8 | O32 | C30 | 73.5° | 54.9° |
| C16 | C8 | C10 | C13 | 121.6° | 120.0° |
| C16 | C8 | C10 | H2 | 180.0° | 58.3° |
| C16 | C8 | C10 | H3 | 60.0° | 178.3° |
| C16 | C8 | C10 | H4 | 60.0° | 61.7° |
| C16 | C8 | C13 | H6 | 180.0° | 60.0° |
| C16 | C8 | C13 | H7 | 60.0° | 180.0° |
| C16 | C8 | C13 | H8 | 60.0° | 59.9° |
| C8 | C16 | H10 | H11 | 120.0° | 120.0° |
| C8 | C16 | H10 | H12 | 120.0° | 120.0° |
| C8 | C16 | H11 | H12 | 120.0° | 120.0° |
| O33 | C12 | C11 | H5 | 165.6° | 133.2° |
| O33 | C12 | N13 | H40 | 169.1° | 174.7° |
| O32 | C8 | C10 | C13 | 119.4° | 119.9° |
| C8 | O32 | C30 | C31 | 120.5° | 99.5° |
| O32 | C8 | C10 | H2 | 61.0° | 178.3° |
| O32 | C8 | C10 | H3 | 59.0° | 61.7° |
| O32 | C8 | C10 | H4 | 179.0° | 58.4° |
| O32 | C8 | C13 | H6 | 62.2° | 60.0° |
| O32 | C8 | C13 | H7 | 177.8° | 60.0° |
| O32 | C8 | C13 | H8 | 57.8° | 180.0° |
| O32 | C8 | C16 | H10 | 180.0° | 64.4° |
| O32 | C8 | C16 | H11 | 60.0° | 55.5° |
| O32 | C8 | C16 | H12 | 60.0° | 175.6° |
| C8 | O32 | C30 | H27 | 1.6° | 20.5° |
| C30 | O32 | C8 | C10 | 166.0° | 65.1° |
| C30 | O32 | C8 | C13 | 45.9° | 174.9° |
| O32 | C30 | C31 | H27 | 119.6° | 120.0° |
| O32 | C30 | C11 | H5 | 51.2° | 178.0° |
| O32 | C30 | C31 | H28 | 58.5° | 53.9° |
| O32 | C30 | C31 | H29 | 178.5° | 66.0° |
| O32 | C30 | C31 | H30 | 61.5° | 174.0° |
| C8 | C10 | H2 | H3 | 120.0° | 120.0° |
| C8 | C10 | H2 | H4 | 120.0° | 120.0° |
| C8 | C10 | H3 | H4 | 120.0° | 120.1° |
| C10 | C8 | C13 | H6 | 58.4° | 180.0° |
| C10 | C8 | C13 | H7 | 61.6° | 60.0° |
| C10 | C8 | C13 | H8 | 178.5° | 60.1° |
| C10 | C8 | C16 | H10 | 59.4° | 55.6° |
| C10 | C8 | C16 | H11 | 60.6° | 175.5° |
| C10 | C8 | C16 | H12 | 179.4° | 64.4° |
| C13 | C8 | C10 | H2 | 58.4° | 61.7° |
| C13 | C8 | C10 | H3 | 178.4° | 58.3° |
| C13 | C8 | C10 | H4 | 61.6° | 178.3° |
| C8 | C13 | H6 | H7 | 120.0° | 120.0° |
| C8 | C13 | H6 | H8 | 120.0° | 120.0° |
| C8 | C13 | H7 | H8 | 120.0° | 120.0° |
| C13 | C8 | C16 | H10 | 61.8° | 175.6° |
| C13 | C8 | C16 | H11 | 178.2° | 64.5° |
| C13 | C8 | C16 | H12 | 58.2° | 55.6° |
| C31 | C30 | C11 | H5 | 70.4° | 62.0° |
| C30 | C31 | H28 | H29 | 120.0° | 120.0° |
| C30 | C31 | H28 | H30 | 120.0° | 120.0° |
| C30 | C31 | H29 | H30 | 120.0° | 120.1° |
| C15 | N16 | C17 | H41 | 180.0° | 179.9° |
| C15 | N16 | C17 | C32 | 98.4° | 85.1° |
| C15 | N16 | C17 | C19 | 134.3° | 155.0° |
| N16 | C15 | C14 | H9 | 8.5° | 60.1° |
| C15 | N16 | C17 | H13 | 19.5° | 35.0° |
| O38 | C15 | N16 | C17 | 19.9° | 0.1° |
| O38 | C15 | C14 | H9 | 170.8° | 120.0° |
| O38 | C15 | N16 | H41 | 160.1° | 180.0° |
| N16 | C17 | C32 | C19 | 123.6° | 120.0° |
| N16 | C17 | C32 | H13 | 118.4° | 120.0° |
| N16 | C17 | C32 | O34 | 178.0° | 64.9° |
| N16 | C17 | C19 | H13 | 115.3° | 120.0° |
| N16 | C17 | C19 | C20 | 47.5° | 65.1° |
| N16 | C17 | C19 | H14 | 72.3° | 54.9° |
| N16 | C17 | C19 | H15 | 167.4° | 175.0° |
| N16 | C17 | C32 | H31 | 61.2° | 55.0° |
| N16 | C17 | C32 | H32 | 57.3° | 175.0° |
| C17 | C32 | O34 | H31 | 120.7° | 119.9° |
| C17 | C32 | O34 | H32 | 120.7° | 120.1° |
| C32 | C17 | C19 | H13 | 118.0° | 120.0° |
| C32 | C17 | C19 | C20 | 174.2° | 175.0° |
| C32 | C17 | C19 | H14 | 54.3° | 65.1° |
| C32 | C17 | C19 | H15 | 65.9° | 55.0° |
| C17 | C32 | H31 | H32 | 117.7° | 120.0° |
| C32 | C17 | N16 | H41 | 81.6° | 95.1° |
| C17 | C32 | O34 | H42 | 180.0° | 180.0° |
| O34 | C32 | C17 | C19 | 58.4° | 55.0° |
| O34 | C32 | C17 | H13 | 59.6° | 175.0° |
| O34 | C32 | H31 | H32 | 117.7° | 120.0° |
| C17 | C19 | C20 | H14 | 119.9° | 120.0° |
| C17 | C19 | C20 | H15 | 119.9° | 120.0° |
| C17 | C19 | C20 | C24 | 170.4° | 66.5° |
| C17 | C19 | C20 | C21 | 73.3° | 178.8° |
| C17 | C19 | H14 | H15 | 120.3° | 120.1° |
| C17 | C19 | C20 | H17 | 48.0° | 56.1° |
| C19 | C17 | C32 | H31 | 62.3° | 175.0° |
| C19 | C17 | C32 | H32 | 179.2° | 65.0° |
| C19 | C17 | N16 | H41 | 45.6° | 24.9° |
| C19 | C20 | C24 | C21 | 120.1° | 118.6° |
| C19 | C20 | C24 | H17 | 122.2° | 122.5° |
| C19 | C20 | C21 | H17 | 121.3° | 122.6° |
| C19 | C20 | C24 | O26 | 55.4° | 77.7° |
| C19 | C20 | C24 | N23 | 123.3° | 102.5° |
| C19 | C20 | C21 | C22 | 124.5° | 93.9° |
| C20 | C19 | C17 | H13 | 67.8° | 55.0° |
| C20 | C19 | H14 | H15 | 120.4° | 120.0° |
| C19 | C20 | C21 | H18 | 5.0° | 24.3° |
| C19 | C20 | C21 | H19 | 116.1° | 148.0° |
| C24 | C20 | C21 | H17 | 117.9° | 118.8° |
| C20 | C24 | O26 | N23 | 178.5° | 179.8° |
| C24 | C20 | C21 | C22 | 3.7° | 24.7° |
| C20 | C24 | N23 | C22 | 1.2° | 0.5° |
| C24 | C20 | C19 | H14 | 50.6° | 53.5° |
| C24 | C20 | C19 | H15 | 69.7° | 173.5° |
| C24 | C20 | C21 | H18 | 115.8° | 142.9° |
| C24 | C20 | C21 | H19 | 123.1° | 93.4° |
| C20 | C24 | N23 | H44 | 178.8° | 179.6° |
| C21 | C20 | C24 | O26 | 175.6° | 163.7° |
| C21 | C20 | C24 | N23 | 3.1° | 16.2° |
| C20 | C21 | C22 | H18 | 119.5° | 118.1° |
| C20 | C21 | C22 | H19 | 119.5° | 118.1° |
| C20 | C21 | C22 | N23 | 3.1° | 25.4° |
| C21 | C20 | C19 | H14 | 166.8° | 61.2° |
| C21 | C20 | C19 | H15 | 46.6° | 58.8° |
| C20 | C21 | H18 | H19 | 121.6° | 123.8° |
| C20 | C21 | C22 | H20 | 122.4° | 93.6° |
| C20 | C21 | C22 | H43 | 116.3° | 144.5° |
| O26 | C24 | N23 | C22 | 177.4° | 179.7° |
| O26 | C24 | C20 | H17 | 66.7° | 44.8° |
| O26 | C24 | N23 | H44 | 2.6° | 0.3° |
| C24 | N23 | C22 | C21 | 1.2° | 17.0° |
| C24 | N23 | C22 | H44 | 180.0° | 180.0° |
| N23 | C24 | C20 | H17 | 114.6° | 135.0° |
| C24 | N23 | C22 | H20 | 120.6° | 101.9° |
| C24 | N23 | C22 | H43 | 118.1° | 136.1° |
| C21 | C22 | N23 | H20 | 119.4° | 119.0° |
| C21 | C22 | N23 | H43 | 119.4° | 119.1° |
| C22 | C21 | C20 | H17 | 114.2° | 143.5° |
| C22 | C21 | H18 | H19 | 121.5° | 123.8° |
| C21 | C22 | H20 | H43 | 121.9° | 121.9° |
| C21 | C22 | N23 | H44 | 178.8° | 163.0° |
| N23 | C22 | C21 | H18 | 116.4° | 143.5° |
| N23 | C22 | C21 | H19 | 122.6° | 92.7° |
| N23 | C22 | H20 | H43 | 121.8° | 122.1° |
| H1 | C1 | C2 | H16 | 1.0° | 0.0° |
| H1 | C1 | C6 | H36 | 1.3° | 0.3° |
| H2 | C10 | H3 | H4 | 120.0° | 119.9° |
| H5 | C11 | C30 | H27 | 170.6° | 58.0° |
| H5 | C11 | N10 | H39 | 172.4° | 153.7° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C14 | C34 | H33 | 63.6° | 175.0° |
| H9 | C14 | C34 | H34 | 177.8° | 65.0° |
| H9 | C14 | N13 | H40 | 104.9° | 145.0° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H13 | C17 | C19 | H14 | 172.3° | 174.9° |
| H13 | C17 | C19 | H15 | 52.1° | 65.0° |
| H13 | C17 | C32 | H31 | 179.6° | 65.0° |
| H13 | C17 | C32 | H32 | 61.1° | 55.0° |
| H13 | C17 | N16 | H41 | 160.4° | 144.9° |
| H14 | C19 | C20 | H17 | 71.8° | 176.1° |
| H15 | C19 | C20 | H17 | 167.9° | 63.9° |
| H16 | C2 | C3 | H26 | 0.4° | 0.0° |
| H17 | C20 | C21 | H18 | 126.3° | 98.4° |
| H17 | C20 | C21 | H19 | 5.2° | 25.4° |
| H18 | C21 | C22 | H20 | 2.9° | 24.5° |
| H18 | C21 | C22 | H43 | 124.2° | 97.4° |
| H19 | C21 | C22 | H20 | 118.1° | 148.4° |
| H19 | C21 | C22 | H43 | 3.2° | 26.4° |
| H20 | C22 | N23 | H44 | 59.4° | 78.1° |
| H21 | C23 | C25 | H22 | 0.4° | 0.1° |
| H22 | C25 | C26 | H23 | 0.2° | 0.0° |
| H23 | C26 | C28 | H24 | 0.1° | 0.0° |
| H24 | C28 | C29 | H25 | 0.3° | 0.2° |
| H27 | C30 | C31 | H28 | 61.1° | 174.0° |
| H27 | C30 | C31 | H29 | 58.9° | 54.0° |
| H27 | C30 | C31 | H30 | 178.9° | 66.0° |
| H28 | C31 | H29 | H30 | 120.0° | 120.0° |
| H31 | C32 | O34 | H42 | 59.3° | 60.0° |
| H32 | C32 | O34 | H42 | 59.2° | 60.0° |
| H35 | C5 | C6 | H36 | 1.0° | 0.6° |
| H43 | C22 | N23 | H44 | 61.9° | 43.9° |
