MJN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.48Å | 1.39Å | |
| C34 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | C41 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | N42 | doub | 1.31Å | 1.32Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| O20 | C19 | doub | 1.22Å | 1.19Å | |
| N42 | C31 | sing | 1.33Å | 1.32Å | Aromatic |
| C31 | C29 | sing | 1.48Å | 1.53Å | |
| C19 | C21 | sing | 1.41Å | 1.40Å | |
| C19 | N18 | sing | 1.35Å | 1.33Å | |
| C21 | C22 | doub | 1.36Å | 1.39Å | |
| N18 | C17 | sing | 1.38Å | 1.37Å | |
| C29 | O30 | doub | 1.22Å | 1.19Å | |
| C29 | N28 | sing | 1.35Å | 1.45Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.46Å | 1.43Å | |
| C17 | C24 | doub | 1.41Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.43Å | Aromatic |
| N28 | C05 | sing | 1.46Å | 1.44Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | N10 | sing | 1.47Å | 1.50Å | |
| C09 | N10 | sing | 1.47Å | 1.50Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C25 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C07 | C27 | sing | 1.53Å | 1.49Å | |
| C07 | C08 | sing | 1.53Å | 1.49Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| N10 | C11 | sing | 1.35Å | 1.46Å | |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C03 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| O04 | C03 | doub | 1.21Å | 1.18Å | |
| C11 | O12 | doub | 1.21Å | 1.19Å | |
| C11 | C13 | sing | 1.51Å | 1.54Å | |
| C03 | N02 | sing | 1.35Å | 1.45Å | |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| N02 | H33 | sing | 0.97Å | 1.00Å | |
| N18 | H34 | sing | 0.97Å | 1.00Å | |
| N28 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 120.4° | 120.3° |
| C38 | C39 | C40 | 119.2° | 120.2° |
| C39 | C38 | H29 | 119.8° | 119.9° |
| C38 | C39 | H30 | 120.4° | 119.9° |
| C38 | C37 | C36 | 120.1° | 120.1° |
| C38 | C37 | H28 | 119.9° | 119.9° |
| C37 | C38 | H29 | 119.8° | 119.9° |
| C39 | C40 | C35 | 120.8° | 119.8° |
| C40 | C39 | H30 | 120.4° | 119.9° |
| C39 | C40 | H31 | 119.6° | 120.1° |
| C37 | C36 | C35 | 119.6° | 119.9° |
| C37 | C36 | H27 | 120.2° | 120.1° |
| C36 | C37 | H28 | 119.9° | 120.0° |
| C40 | C35 | C36 | 119.9° | 119.8° |
| C40 | C35 | C34 | 119.7° | 120.1° |
| C35 | C40 | H31 | 119.6° | 120.0° |
| C36 | C35 | C34 | 120.4° | 120.1° |
| C35 | C36 | H27 | 120.2° | 120.0° |
| C35 | C34 | C33 | 120.7° | 120.5° |
| C35 | C34 | C41 | 119.9° | 120.4° |
| C33 | C34 | C41 | 119.4° | 119.1° |
| C34 | C33 | C32 | 118.2° | 118.4° |
| C34 | C33 | H26 | 120.9° | 120.8° |
| C34 | C41 | N42 | 120.7° | 120.7° |
| C34 | C41 | H32 | 119.6° | 119.6° |
| C33 | C32 | C31 | 119.2° | 119.2° |
| C33 | C32 | H25 | 120.4° | 120.4° |
| C32 | C33 | H26 | 120.9° | 120.8° |
| C41 | N42 | C31 | 121.5° | 121.8° |
| N42 | C41 | H32 | 119.6° | 119.6° |
| C32 | C31 | N42 | 121.0° | 120.8° |
| C32 | C31 | C29 | 120.9° | 119.6° |
| C31 | C32 | H25 | 120.4° | 120.4° |
| O20 | C19 | C21 | 119.2° | 119.2° |
| O20 | C19 | N18 | 120.8° | 119.1° |
| N42 | C31 | C29 | 118.1° | 119.6° |
| C31 | C29 | O30 | 121.9° | 120.0° |
| C31 | C29 | N28 | 117.9° | 120.0° |
| C21 | C19 | N18 | 120.0° | 121.6° |
| C19 | C21 | C22 | 119.3° | 120.2° |
| C19 | C21 | H4 | 120.4° | 119.9° |
| C19 | N18 | C17 | 123.3° | 120.9° |
| C19 | N18 | H34 | 118.3° | 119.5° |
| C21 | C22 | C23 | 121.0° | 120.7° |
| C21 | C22 | C24 | 118.7° | 118.6° |
| C22 | C21 | H4 | 120.4° | 119.9° |
| N18 | C17 | C24 | 118.6° | 119.7° |
| N18 | C17 | C16 | 121.0° | 120.9° |
| C17 | N18 | H34 | 118.4° | 119.6° |
| O30 | C29 | N28 | 120.2° | 120.0° |
| C29 | N28 | C05 | 120.8° | 120.0° |
| C29 | N28 | H35 | 119.6° | 120.0° |
| C23 | C22 | C24 | 120.3° | 120.7° |
| C22 | C23 | H19 | 109.5° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.4° |
| C22 | C23 | H21 | 109.5° | 109.5° |
| C22 | C24 | C17 | 120.1° | 119.0° |
| C22 | C24 | C25 | 119.2° | 121.2° |
| C24 | C17 | C16 | 120.4° | 119.4° |
| C17 | C24 | C25 | 120.6° | 119.8° |
| C17 | C16 | C15 | 119.1° | 119.7° |
| C17 | C16 | H18 | 120.4° | 120.1° |
| C24 | C25 | C14 | 118.9° | 119.8° |
| C24 | C25 | H22 | 120.6° | 120.1° |
| N28 | C05 | C06 | 108.8° | 109.5° |
| N28 | C05 | C03 | 109.6° | 109.5° |
| N28 | C05 | H10 | 109.7° | 109.5° |
| C05 | N28 | H35 | 119.6° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.7° |
| C16 | C15 | H3 | 120.0° | 119.7° |
| C15 | C16 | H18 | 120.4° | 120.1° |
| C27 | C26 | N10 | 107.7° | 108.8° |
| C26 | C27 | C07 | 112.2° | 109.3° |
| C27 | C26 | H5 | 109.9° | 109.6° |
| C27 | C26 | H6 | 109.9° | 109.6° |
| C26 | C27 | H23 | 108.8° | 109.5° |
| C26 | C27 | H24 | 108.8° | 109.5° |
| C26 | N10 | C09 | 110.1° | 118.8° |
| C26 | N10 | C11 | 124.4° | 120.6° |
| N10 | C26 | H5 | 109.9° | 109.6° |
| N10 | C26 | H6 | 109.9° | 109.6° |
| N10 | C09 | C08 | 109.7° | 108.8° |
| C09 | N10 | C11 | 125.5° | 120.6° |
| N10 | C09 | H16 | 109.4° | 109.6° |
| N10 | C09 | H17 | 109.4° | 109.6° |
| C09 | C08 | C07 | 113.0° | 109.3° |
| C09 | C08 | H14 | 108.6° | 109.5° |
| C09 | C08 | H15 | 108.6° | 109.6° |
| C08 | C09 | H16 | 109.4° | 109.6° |
| C08 | C09 | H17 | 109.4° | 109.5° |
| C25 | C14 | C15 | 120.9° | 120.6° |
| C25 | C14 | C13 | 118.0° | 119.7° |
| C14 | C25 | H22 | 120.6° | 120.1° |
| C27 | C07 | C08 | 113.4° | 109.5° |
| C27 | C07 | C06 | 109.0° | 109.5° |
| C27 | C07 | H13 | 108.7° | 109.5° |
| C07 | C27 | H23 | 108.8° | 109.5° |
| C07 | C27 | H24 | 108.8° | 109.5° |
| C08 | C07 | C06 | 108.9° | 109.4° |
| C08 | C07 | H13 | 108.7° | 109.5° |
| C07 | C08 | H14 | 108.6° | 109.5° |
| C07 | C08 | H15 | 108.6° | 109.5° |
| C07 | C06 | C05 | 111.8° | 109.5° |
| C07 | C06 | H11 | 108.9° | 109.5° |
| C07 | C06 | H12 | 108.9° | 109.5° |
| C06 | C07 | H13 | 108.0° | 109.4° |
| N10 | C11 | O12 | 119.7° | 120.0° |
| N10 | C11 | C13 | 118.5° | 120.0° |
| C15 | C14 | C13 | 121.0° | 119.7° |
| C14 | C15 | H3 | 119.9° | 119.6° |
| C06 | C05 | C03 | 111.7° | 109.5° |
| C06 | C05 | H10 | 108.5° | 109.5° |
| C05 | C06 | H11 | 108.9° | 109.4° |
| C05 | C06 | H12 | 108.9° | 109.4° |
| C05 | C03 | O04 | 120.4° | 120.0° |
| C05 | C03 | N02 | 120.1° | 120.0° |
| C03 | C05 | H10 | 108.5° | 109.4° |
| C14 | C13 | C11 | 109.1° | 109.5° |
| C14 | C13 | H1 | 109.6° | 109.5° |
| C14 | C13 | H2 | 109.6° | 109.5° |
| O04 | C03 | N02 | 119.5° | 120.0° |
| O12 | C11 | C13 | 121.8° | 120.0° |
| C11 | C13 | H1 | 109.6° | 109.5° |
| C11 | C13 | H2 | 109.6° | 109.4° |
| C03 | N02 | C01 | 119.4° | 120.0° |
| C03 | N02 | H33 | 120.3° | 120.0° |
| N02 | C01 | H7 | 109.5° | 109.5° |
| N02 | C01 | H8 | 109.4° | 109.5° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| C01 | N02 | H33 | 120.3° | 120.0° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.7° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H11 | C06 | H12 | 109.4° | 109.5° |
| H14 | C08 | H15 | 109.4° | 109.4° |
| H16 | C09 | H17 | 109.5° | 109.7° |
| H19 | C23 | H20 | 109.4° | 109.5° |
| H19 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | H29 | 180.0° | 179.8° |
| C38 | C39 | C40 | H30 | 180.0° | 179.7° |
| C39 | C38 | C37 | C36 | 0.2° | 0.0° |
| C38 | C39 | C40 | C35 | 0.1° | 0.5° |
| C39 | C38 | C37 | H28 | 179.8° | 180.0° |
| C38 | C39 | C40 | H31 | 179.8° | 180.0° |
| C37 | C38 | C39 | C40 | 0.3° | 0.3° |
| C38 | C37 | C36 | H28 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.1° |
| C38 | C37 | C36 | H27 | 179.9° | 180.0° |
| C37 | C38 | C39 | H30 | 179.7° | 179.9° |
| C39 | C40 | C35 | H31 | 180.0° | 179.5° |
| C39 | C40 | C35 | C36 | 0.1° | 0.5° |
| C39 | C40 | C35 | C34 | 179.5° | 179.7° |
| C40 | C39 | C38 | H29 | 179.8° | 180.0° |
| C37 | C36 | C35 | C40 | 0.2° | 0.2° |
| C37 | C36 | C35 | H27 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 179.4° | 180.0° |
| C36 | C37 | C38 | H29 | 179.9° | 179.8° |
| C40 | C35 | C36 | C34 | 179.6° | 179.8° |
| C40 | C35 | C34 | C33 | 35.0° | 0.2° |
| C40 | C35 | C34 | C41 | 143.8° | 179.8° |
| C40 | C35 | C36 | H27 | 179.8° | 179.8° |
| C35 | C40 | C39 | H30 | 179.9° | 179.8° |
| C36 | C35 | C34 | C33 | 145.3° | 180.0° |
| C36 | C35 | C34 | C41 | 35.9° | 0.0° |
| C35 | C36 | C37 | H28 | 179.9° | 180.0° |
| C36 | C35 | C40 | H31 | 179.9° | 180.0° |
| C35 | C34 | C33 | C41 | 178.8° | 180.0° |
| C35 | C34 | C33 | C32 | 179.6° | 180.0° |
| C35 | C34 | C41 | N42 | 180.0° | 179.8° |
| C35 | C34 | C33 | H26 | 0.4° | 0.0° |
| C34 | C35 | C36 | H27 | 0.6° | 0.0° |
| C34 | C35 | C40 | H31 | 0.4° | 0.2° |
| C35 | C34 | C41 | H32 | 0.0° | 0.1° |
| C34 | C33 | C32 | H26 | 180.0° | 180.0° |
| C33 | C34 | C41 | N42 | 1.2° | 0.2° |
| C34 | C33 | C32 | C31 | 0.2° | 0.0° |
| C34 | C33 | C32 | H25 | 179.8° | 180.0° |
| C33 | C34 | C41 | H32 | 178.8° | 179.9° |
| C41 | C34 | C33 | C32 | 0.8° | 0.0° |
| C34 | C41 | N42 | H32 | 180.0° | 179.9° |
| C34 | C41 | N42 | C31 | 0.5° | 0.5° |
| C41 | C34 | C33 | H26 | 179.2° | 180.0° |
| C33 | C32 | C31 | H25 | 180.0° | 180.0° |
| C33 | C32 | C31 | N42 | 0.9° | 0.2° |
| C33 | C32 | C31 | C29 | 179.7° | 180.0° |
| C41 | N42 | C31 | C32 | 0.6° | 0.5° |
| C41 | N42 | C31 | C29 | 179.4° | 179.7° |
| C32 | C31 | N42 | C29 | 178.9° | 179.8° |
| C32 | C31 | C29 | O30 | 13.0° | 0.0° |
| C32 | C31 | C29 | N28 | 166.9° | 180.0° |
| C31 | C32 | C33 | H26 | 179.8° | 180.0° |
| O20 | C19 | C21 | N18 | 179.3° | 177.7° |
| O20 | C19 | C21 | C22 | 179.7° | 180.0° |
| O20 | C19 | N18 | C17 | 179.7° | 179.2° |
| O20 | C19 | C21 | H4 | 0.3° | 0.1° |
| O20 | C19 | N18 | H34 | 0.3° | 0.7° |
| N42 | C31 | C29 | O30 | 168.2° | 179.8° |
| N42 | C31 | C29 | N28 | 12.0° | 0.2° |
| N42 | C31 | C32 | H25 | 179.1° | 179.8° |
| C31 | N42 | C41 | H32 | 179.5° | 179.7° |
| C31 | C29 | O30 | N28 | 179.8° | 180.0° |
| C31 | C29 | N28 | C05 | 179.5° | 180.0° |
| C29 | C31 | C32 | H25 | 0.3° | 0.0° |
| C31 | C29 | N28 | H35 | 0.5° | 0.0° |
| C19 | C21 | C22 | H4 | 180.0° | 179.9° |
| C21 | C19 | N18 | C17 | 0.5° | 1.5° |
| C19 | C21 | C22 | C23 | 179.8° | 180.0° |
| C19 | C21 | C22 | C24 | 0.1° | 1.5° |
| C21 | C19 | N18 | H34 | 179.5° | 178.4° |
| N18 | C19 | C21 | C22 | 0.4° | 2.3° |
| C19 | N18 | C17 | H34 | 180.0° | 179.9° |
| C19 | N18 | C17 | C24 | 0.2° | 0.1° |
| C19 | N18 | C17 | C16 | 179.9° | 179.3° |
| N18 | C19 | C21 | H4 | 179.6° | 177.8° |
| C21 | C22 | C23 | C24 | 180.0° | 178.4° |
| C21 | C22 | C24 | C17 | 0.1° | 0.0° |
| C21 | C22 | C24 | C25 | 179.9° | 179.2° |
| C21 | C22 | C23 | H19 | 180.0° | 0.0° |
| C21 | C22 | C23 | H20 | 60.0° | 120.0° |
| C21 | C22 | C23 | H21 | 60.0° | 120.0° |
| N18 | C17 | C24 | C22 | 0.0° | 0.8° |
| N18 | C17 | C24 | C16 | 179.9° | 179.2° |
| N18 | C17 | C24 | C25 | 179.8° | 180.0° |
| N18 | C17 | C16 | C15 | 179.9° | 179.7° |
| N18 | C17 | C16 | H18 | 0.1° | 0.3° |
| O30 | C29 | N28 | C05 | 0.4° | 0.0° |
| O30 | C29 | N28 | H35 | 179.6° | 180.0° |
| C29 | N28 | C05 | H35 | 180.0° | 180.0° |
| C29 | N28 | C05 | C06 | 150.0° | 155.0° |
| C29 | N28 | C05 | C03 | 87.6° | 85.0° |
| C29 | N28 | C05 | H10 | 31.4° | 35.0° |
| C23 | C22 | C24 | C17 | 180.0° | 178.5° |
| C23 | C22 | C24 | C25 | 0.1° | 0.7° |
| C23 | C22 | C21 | H4 | 0.2° | 0.1° |
| C22 | C23 | H19 | H20 | 120.0° | 119.9° |
| C22 | C23 | H19 | H21 | 120.0° | 120.0° |
| C22 | C23 | H20 | H21 | 120.0° | 120.0° |
| C22 | C24 | C17 | C25 | 179.8° | 179.2° |
| C22 | C24 | C17 | C16 | 179.9° | 180.0° |
| C22 | C24 | C25 | C14 | 179.9° | 179.7° |
| C24 | C22 | C21 | H4 | 179.9° | 178.6° |
| C24 | C22 | C23 | H19 | 0.0° | 178.5° |
| C24 | C22 | C23 | H20 | 119.9° | 61.6° |
| C24 | C22 | C23 | H21 | 120.0° | 58.5° |
| C22 | C24 | C25 | H22 | 0.1° | 0.8° |
| C24 | C17 | C16 | C15 | 0.1° | 0.5° |
| C17 | C24 | C25 | C14 | 0.2° | 0.5° |
| C24 | C17 | C16 | H18 | 179.9° | 179.5° |
| C17 | C24 | C25 | H22 | 179.8° | 180.0° |
| C24 | C17 | N18 | H34 | 179.7° | 180.0° |
| C16 | C17 | C24 | C25 | 0.0° | 0.8° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C17 | C16 | C15 | H3 | 180.0° | 179.7° |
| C16 | C17 | N18 | H34 | 0.1° | 0.8° |
| C24 | C25 | C14 | H22 | 180.0° | 179.5° |
| C24 | C25 | C14 | C15 | 0.3° | 0.0° |
| C24 | C25 | C14 | C13 | 179.8° | 179.9° |
| N28 | C05 | C06 | C07 | 58.9° | 64.5° |
| N28 | C05 | C06 | C03 | 121.1° | 120.0° |
| N28 | C05 | C06 | H10 | 119.3° | 120.0° |
| N28 | C05 | C03 | H10 | 119.8° | 120.0° |
| N28 | C05 | C03 | O04 | 22.2° | 0.0° |
| N28 | C05 | C03 | N02 | 157.0° | 180.0° |
| N28 | C05 | C06 | H11 | 61.4° | 175.4° |
| N28 | C05 | C06 | H12 | 179.3° | 55.5° |
| C16 | C15 | C14 | C25 | 0.3° | 0.3° |
| C16 | C15 | C14 | H3 | 180.0° | 179.6° |
| C16 | C15 | C14 | C13 | 179.7° | 179.8° |
| C27 | C26 | N10 | H5 | 119.7° | 119.8° |
| C27 | C26 | N10 | H6 | 119.7° | 119.8° |
| C27 | C26 | N10 | C09 | 63.6° | 53.6° |
| C26 | C27 | C07 | H23 | 120.4° | 120.0° |
| C26 | C27 | C07 | H24 | 120.4° | 120.0° |
| C26 | C27 | C07 | C08 | 50.7° | 61.4° |
| C26 | C27 | C07 | C06 | 172.1° | 178.6° |
| C27 | C26 | N10 | C11 | 113.6° | 126.4° |
| C27 | C26 | H5 | H6 | 120.8° | 120.3° |
| C26 | C27 | C07 | H13 | 70.4° | 58.7° |
| C26 | C27 | H23 | H24 | 118.8° | 120.1° |
| C26 | N10 | C09 | C11 | 177.1° | 180.0° |
| C26 | N10 | C09 | C08 | 61.0° | 53.6° |
| N10 | C26 | C27 | C07 | 58.0° | 54.6° |
| C26 | N10 | C11 | O12 | 2.3° | 0.0° |
| C26 | N10 | C11 | C13 | 178.7° | 180.0° |
| N10 | C26 | H5 | H6 | 120.8° | 120.4° |
| C26 | N10 | C09 | H16 | 59.0° | 173.4° |
| C26 | N10 | C09 | H17 | 179.0° | 66.1° |
| N10 | C26 | C27 | H23 | 62.4° | 65.3° |
| N10 | C26 | C27 | H24 | 178.4° | 174.6° |
| N10 | C09 | C08 | H16 | 120.1° | 119.8° |
| N10 | C09 | C08 | H17 | 120.0° | 119.7° |
| N10 | C09 | C08 | C07 | 52.0° | 54.6° |
| C09 | N10 | C11 | O12 | 179.0° | 180.0° |
| C09 | N10 | C11 | C13 | 2.0° | 0.0° |
| C09 | N10 | C26 | H5 | 56.2° | 66.2° |
| C09 | N10 | C26 | H6 | 176.7° | 173.4° |
| N10 | C09 | C08 | H14 | 172.5° | 65.4° |
| N10 | C09 | C08 | H15 | 68.6° | 174.6° |
| N10 | C09 | H16 | H17 | 119.9° | 120.4° |
| C09 | C08 | C07 | C27 | 47.4° | 61.3° |
| C09 | C08 | C07 | H14 | 120.6° | 120.0° |
| C09 | C08 | C07 | H15 | 120.5° | 120.0° |
| C09 | C08 | C07 | C06 | 168.9° | 178.6° |
| C08 | C09 | N10 | C11 | 116.1° | 126.4° |
| C09 | C08 | C07 | H13 | 73.6° | 58.7° |
| C09 | C08 | H14 | H15 | 118.4° | 120.1° |
| C08 | C09 | H16 | H17 | 119.8° | 120.3° |
| C25 | C14 | C15 | C13 | 179.4° | 179.9° |
| C25 | C14 | C13 | C11 | 60.3° | 90.0° |
| C25 | C14 | C13 | H1 | 179.7° | 150.0° |
| C25 | C14 | C13 | H2 | 59.6° | 29.9° |
| C25 | C14 | C15 | H3 | 179.8° | 179.9° |
| C27 | C07 | C08 | C06 | 121.5° | 120.0° |
| C27 | C07 | C08 | H13 | 121.0° | 120.1° |
| C27 | C07 | C06 | H13 | 117.9° | 120.0° |
| C27 | C07 | C06 | C05 | 58.4° | 65.9° |
| C07 | C27 | C26 | H5 | 61.8° | 65.2° |
| C07 | C27 | C26 | H6 | 177.7° | 174.5° |
| C27 | C07 | C06 | H11 | 178.8° | 54.1° |
| C27 | C07 | C06 | H12 | 61.9° | 174.1° |
| C27 | C07 | C08 | H14 | 167.9° | 58.6° |
| C27 | C07 | C08 | H15 | 73.2° | 178.6° |
| C07 | C27 | H23 | H24 | 118.8° | 120.0° |
| C08 | C07 | C06 | H13 | 117.9° | 119.9° |
| C08 | C07 | C06 | C05 | 177.4° | 174.0° |
| C08 | C07 | C06 | H11 | 57.1° | 66.0° |
| C08 | C07 | C06 | H12 | 62.2° | 54.1° |
| C07 | C08 | H14 | H15 | 118.4° | 120.0° |
| C07 | C08 | C09 | H16 | 68.1° | 174.4° |
| C07 | C08 | C09 | H17 | 172.0° | 65.1° |
| C08 | C07 | C27 | H23 | 69.7° | 58.6° |
| C08 | C07 | C27 | H24 | 171.1° | 178.7° |
| C07 | C06 | C05 | H11 | 120.4° | 120.0° |
| C07 | C06 | C05 | H12 | 120.4° | 120.0° |
| C07 | C06 | C05 | C03 | 180.0° | 175.4° |
| C07 | C06 | C05 | H10 | 60.4° | 55.5° |
| C07 | C06 | H11 | H12 | 118.9° | 120.1° |
| C06 | C07 | C08 | H14 | 70.5° | 61.4° |
| C06 | C07 | C08 | H15 | 48.4° | 58.6° |
| C06 | C07 | C27 | H23 | 51.8° | 61.4° |
| C06 | C07 | C27 | H24 | 67.5° | 58.7° |
| N10 | C11 | C13 | C14 | 78.9° | 180.0° |
| N10 | C11 | O12 | C13 | 179.0° | 180.0° |
| N10 | C11 | C13 | H1 | 41.0° | 60.0° |
| N10 | C11 | C13 | H2 | 161.1° | 60.0° |
| C11 | N10 | C26 | H5 | 126.7° | 113.8° |
| C11 | N10 | C26 | H6 | 6.1° | 6.6° |
| C11 | N10 | C09 | H16 | 123.9° | 6.6° |
| C11 | N10 | C09 | H17 | 3.9° | 113.8° |
| C15 | C14 | C13 | C11 | 119.1° | 90.1° |
| C15 | C14 | C13 | H1 | 0.9° | 29.9° |
| C15 | C14 | C13 | H2 | 120.9° | 150.0° |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C15 | C14 | C25 | H22 | 179.6° | 179.4° |
| C06 | C05 | C03 | H10 | 119.6° | 120.0° |
| C06 | C05 | C03 | O04 | 98.4° | 120.0° |
| C06 | C05 | C03 | N02 | 82.4° | 60.0° |
| C05 | C06 | H11 | H12 | 118.9° | 119.9° |
| C05 | C06 | C07 | H13 | 59.5° | 54.1° |
| C06 | C05 | N28 | H35 | 30.0° | 25.0° |
| C05 | C03 | O04 | N02 | 179.2° | 180.0° |
| C05 | C03 | N02 | C01 | 179.7° | 180.0° |
| C03 | C05 | C06 | H11 | 59.6° | 55.4° |
| C03 | C05 | C06 | H12 | 59.6° | 64.6° |
| C05 | C03 | N02 | H33 | 0.4° | 0.0° |
| C03 | C05 | N28 | H35 | 92.4° | 95.0° |
| C14 | C13 | C11 | O12 | 100.0° | 0.0° |
| C14 | C13 | C11 | H1 | 120.0° | 120.0° |
| C14 | C13 | C11 | H2 | 119.9° | 120.0° |
| C14 | C13 | H1 | H2 | 120.2° | 120.0° |
| C13 | C14 | C15 | H3 | 0.4° | 0.1° |
| C13 | C14 | C25 | H22 | 0.2° | 0.5° |
| O04 | C03 | N02 | C01 | 0.5° | 0.0° |
| O04 | C03 | C05 | H10 | 142.0° | 120.0° |
| O04 | C03 | N02 | H33 | 179.6° | 180.0° |
| O12 | C11 | C13 | H1 | 140.0° | 120.0° |
| O12 | C11 | C13 | H2 | 19.9° | 120.0° |
| C11 | C13 | H1 | H2 | 120.2° | 120.0° |
| C03 | N02 | C01 | H33 | 180.0° | 179.9° |
| C03 | N02 | C01 | H7 | 180.0° | 180.0° |
| C03 | N02 | C01 | H8 | 60.0° | 60.0° |
| C03 | N02 | C01 | H9 | 60.0° | 60.0° |
| N02 | C03 | C05 | H10 | 37.2° | 60.0° |
| N02 | C01 | H7 | H8 | 120.0° | 120.1° |
| N02 | C01 | H7 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| H3 | C15 | C16 | H18 | 0.0° | 0.3° |
| H5 | C26 | C27 | H23 | 177.8° | 174.9° |
| H5 | C26 | C27 | H24 | 58.6° | 54.8° |
| H6 | C26 | C27 | H23 | 57.3° | 54.5° |
| H6 | C26 | C27 | H24 | 61.9° | 65.6° |
| H7 | C01 | H8 | H9 | 120.0° | 119.9° |
| H7 | C01 | N02 | H33 | 0.0° | 0.1° |
| H8 | C01 | N02 | H33 | 120.0° | 120.0° |
| H9 | C01 | N02 | H33 | 120.0° | 120.1° |
| H10 | C05 | C06 | H11 | 179.3° | 64.6° |
| H10 | C05 | C06 | H12 | 60.0° | 175.5° |
| H10 | C05 | N28 | H35 | 148.6° | 145.0° |
| H11 | C06 | C07 | H13 | 60.9° | 174.1° |
| H12 | C06 | C07 | H13 | 179.9° | 65.9° |
| H13 | C07 | C08 | H14 | 46.9° | 178.7° |
| H13 | C07 | C08 | H15 | 165.8° | 61.3° |
| H13 | C07 | C27 | H23 | 169.3° | 178.7° |
| H13 | C07 | C27 | H24 | 50.0° | 61.3° |
| H14 | C08 | C09 | H16 | 52.5° | 54.5° |
| H14 | C08 | C09 | H17 | 67.4° | 174.9° |
| H15 | C08 | C09 | H16 | 171.4° | 65.6° |
| H15 | C08 | C09 | H17 | 51.5° | 54.9° |
| H19 | C23 | H20 | H21 | 120.0° | 120.1° |
| H25 | C32 | C33 | H26 | 0.2° | 0.0° |
| H27 | C36 | C37 | H28 | 0.1° | 0.0° |
| H28 | C37 | C38 | H29 | 0.1° | 0.2° |
| H29 | C38 | C39 | H30 | 0.3° | 0.3° |
| H30 | C39 | C40 | H31 | 0.2° | 0.3° |
