1OD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C40 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | O41 | sing | 1.36Å | 1.36Å | |
| C37 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | C33 | sing | 1.48Å | 1.51Å | |
| C36 | O42 | sing | 1.36Å | 1.36Å | |
| O45 | C5 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O34 | C33 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C33 | N32 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| N32 | C31 | sing | 1.46Å | 1.46Å | |
| O28 | C25 | sing | 1.36Å | 1.36Å | |
| C6 | O44 | sing | 1.36Å | 1.36Å | |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.50Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| O27 | C26 | sing | 1.36Å | 1.36Å | |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | N11 | doub | 1.30Å | 1.26Å | |
| C7 | O8 | sing | 1.35Å | 1.44Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | N14 | sing | 1.46Å | 1.48Å | |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.48Å | 1.51Å | |
| N11 | C10 | sing | 1.48Å | 1.46Å | |
| O8 | C9 | sing | 1.44Å | 1.43Å | |
| N18 | C19 | sing | 1.35Å | 1.33Å | |
| N18 | C17 | sing | 1.46Å | 1.45Å | |
| C19 | O20 | doub | 1.22Å | 1.22Å | |
| N14 | C12 | sing | 1.35Å | 1.35Å | |
| N14 | C15 | sing | 1.46Å | 1.47Å | |
| C10 | C9 | sing | 1.55Å | 1.53Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C9 | C43 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C40 | H1 | sing | 1.08Å | 1.08Å | |
| C39 | H2 | sing | 1.08Å | 1.08Å | |
| C38 | H3 | sing | 1.08Å | 1.08Å | |
| O41 | H4 | sing | 0.97Å | 0.95Å | |
| O42 | H5 | sing | 0.97Å | 0.95Å | |
| N32 | H6 | sing | 0.97Å | 1.00Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C43 | H15 | sing | 1.09Å | 1.10Å | |
| C43 | H16 | sing | 1.09Å | 1.10Å | |
| C43 | H17 | sing | 1.09Å | 1.10Å | |
| O44 | H18 | sing | 0.97Å | 0.95Å | |
| O45 | H19 | sing | 0.97Å | 0.95Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| N18 | H29 | sing | 0.97Å | 1.00Å | |
| O27 | H30 | sing | 0.97Å | 0.95Å | |
| O28 | H31 | sing | 0.97Å | 0.95Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C22 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C39 | C40 | 120.7° | 120.4° |
| C39 | C38 | C37 | 118.9° | 120.3° |
| C38 | C39 | H2 | 119.6° | 119.9° |
| C39 | C38 | H3 | 120.5° | 119.8° |
| C39 | C40 | C35 | 120.1° | 119.9° |
| C39 | C40 | H1 | 119.9° | 120.0° |
| C40 | C39 | H2 | 119.7° | 119.7° |
| C38 | C37 | O41 | 119.8° | 120.0° |
| C38 | C37 | C36 | 120.5° | 120.0° |
| C37 | C38 | H3 | 120.6° | 119.9° |
| C40 | C35 | C36 | 118.7° | 119.7° |
| C40 | C35 | C33 | 120.3° | 120.1° |
| C35 | C40 | H1 | 120.0° | 120.0° |
| O41 | C37 | C36 | 119.7° | 120.0° |
| C37 | O41 | H4 | 109.5° | 114.0° |
| C37 | C36 | C35 | 121.1° | 119.7° |
| C37 | C36 | O42 | 118.9° | 120.1° |
| C36 | C35 | C33 | 121.0° | 120.2° |
| C35 | C36 | O42 | 120.0° | 120.1° |
| C35 | C33 | O34 | 119.2° | 120.0° |
| C35 | C33 | N32 | 118.9° | 120.0° |
| C36 | O42 | H5 | 109.5° | 114.0° |
| O45 | C5 | C4 | 121.5° | 120.0° |
| O45 | C5 | C6 | 118.3° | 120.0° |
| C5 | O45 | H19 | 109.5° | 114.1° |
| C5 | C4 | C3 | 119.9° | 120.3° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C5 | C4 | H20 | 120.0° | 119.9° |
| C4 | C3 | C2 | 119.7° | 120.3° |
| C3 | C4 | H20 | 120.0° | 119.9° |
| C4 | C3 | H21 | 120.2° | 119.8° |
| O34 | C33 | N32 | 121.9° | 120.0° |
| C5 | C6 | O44 | 117.4° | 120.2° |
| C5 | C6 | C1 | 120.2° | 119.7° |
| C33 | N32 | C31 | 124.2° | 120.0° |
| C33 | N32 | H6 | 117.9° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.0° |
| C2 | C3 | H21 | 120.2° | 119.9° |
| C3 | C2 | H22 | 120.1° | 120.0° |
| N32 | C31 | C30 | 112.1° | 109.5° |
| C31 | N32 | H6 | 117.9° | 120.0° |
| N32 | C31 | H7 | 108.8° | 109.5° |
| N32 | C31 | H8 | 108.8° | 109.5° |
| O28 | C25 | C24 | 118.9° | 120.0° |
| O28 | C25 | C26 | 120.9° | 120.0° |
| C25 | O28 | H31 | 109.5° | 114.0° |
| O44 | C6 | C1 | 122.4° | 120.1° |
| C6 | O44 | H18 | 109.5° | 114.0° |
| C6 | C1 | C2 | 120.1° | 119.7° |
| C6 | C1 | C7 | 121.0° | 120.2° |
| C2 | C1 | C7 | 118.9° | 120.2° |
| C1 | C2 | H22 | 120.1° | 120.0° |
| C1 | C7 | N11 | 124.3° | 123.1° |
| C1 | C7 | O8 | 122.5° | 123.1° |
| C31 | C30 | C29 | 113.0° | 109.5° |
| C30 | C31 | H7 | 108.8° | 109.5° |
| C30 | C31 | H8 | 108.8° | 109.5° |
| C31 | C30 | H9 | 108.6° | 109.5° |
| C31 | C30 | H10 | 108.6° | 109.5° |
| C24 | C25 | C26 | 120.3° | 120.0° |
| C25 | C24 | C23 | 119.8° | 120.3° |
| C25 | C24 | H32 | 120.1° | 119.8° |
| C25 | C26 | O27 | 119.4° | 120.2° |
| C25 | C26 | C21 | 120.2° | 119.7° |
| O27 | C26 | C21 | 120.4° | 120.1° |
| C26 | O27 | H30 | 109.5° | 114.0° |
| C24 | C23 | C22 | 119.8° | 120.3° |
| C23 | C24 | H32 | 120.1° | 119.8° |
| C24 | C23 | H33 | 120.1° | 119.9° |
| C26 | C21 | C22 | 119.3° | 119.7° |
| C26 | C21 | C19 | 122.1° | 120.2° |
| N11 | C7 | O8 | 113.1° | 113.9° |
| C7 | N11 | C10 | 112.4° | 108.4° |
| C7 | O8 | C9 | 104.9° | 107.6° |
| C30 | C29 | N14 | 113.1° | 109.5° |
| C29 | C30 | H9 | 108.6° | 109.5° |
| C29 | C30 | H10 | 108.6° | 109.4° |
| C30 | C29 | H11 | 108.5° | 109.5° |
| C30 | C29 | H12 | 108.5° | 109.4° |
| C23 | C22 | C21 | 120.6° | 120.0° |
| C22 | C23 | H33 | 120.1° | 119.8° |
| C23 | C22 | H34 | 119.7° | 120.0° |
| C29 | N14 | C12 | 124.5° | 120.0° |
| C29 | N14 | C15 | 117.7° | 120.0° |
| N14 | C29 | H11 | 108.5° | 109.5° |
| N14 | C29 | H12 | 108.5° | 109.4° |
| C22 | C21 | C19 | 118.7° | 120.1° |
| C21 | C22 | H34 | 119.7° | 120.1° |
| C21 | C19 | N18 | 119.4° | 120.0° |
| C21 | C19 | O20 | 119.5° | 120.0° |
| N11 | C10 | C9 | 101.7° | 102.0° |
| N11 | C10 | C12 | 117.0° | 110.9° |
| N11 | C10 | H13 | 108.9° | 110.9° |
| O8 | C9 | C10 | 106.9° | 101.4° |
| O8 | C9 | C43 | 108.7° | 111.0° |
| O8 | C9 | H14 | 110.4° | 111.0° |
| C19 | N18 | C17 | 122.6° | 120.0° |
| N18 | C19 | O20 | 121.0° | 120.0° |
| C19 | N18 | H29 | 118.7° | 120.0° |
| N18 | C17 | C16 | 111.5° | 109.5° |
| N18 | C17 | H27 | 109.0° | 109.5° |
| N18 | C17 | H28 | 109.0° | 109.5° |
| C17 | N18 | H29 | 118.7° | 120.0° |
| C12 | N14 | C15 | 117.8° | 120.0° |
| N14 | C12 | C10 | 124.3° | 120.0° |
| N14 | C12 | O13 | 120.1° | 120.0° |
| N14 | C15 | C16 | 108.6° | 109.5° |
| N14 | C15 | H23 | 109.7° | 109.5° |
| N14 | C15 | H24 | 109.6° | 109.5° |
| C9 | C10 | C12 | 112.6° | 110.9° |
| C10 | C9 | C43 | 112.7° | 111.1° |
| C9 | C10 | H13 | 107.9° | 110.9° |
| C10 | C9 | H14 | 109.0° | 111.0° |
| C10 | C12 | O13 | 115.5° | 120.0° |
| C12 | C10 | H13 | 108.3° | 110.9° |
| C43 | C9 | H14 | 109.1° | 110.9° |
| C9 | C43 | H15 | 109.5° | 109.5° |
| C9 | C43 | H16 | 109.5° | 109.5° |
| C9 | C43 | H17 | 109.5° | 109.5° |
| C17 | C16 | C15 | 112.5° | 109.5° |
| C17 | C16 | H25 | 108.7° | 109.5° |
| C17 | C16 | H26 | 108.7° | 109.5° |
| C16 | C17 | H27 | 108.9° | 109.5° |
| C16 | C17 | H28 | 109.0° | 109.5° |
| C16 | C15 | H23 | 109.7° | 109.5° |
| C16 | C15 | H24 | 109.7° | 109.5° |
| C15 | C16 | H25 | 108.7° | 109.4° |
| C15 | C16 | H26 | 108.7° | 109.4° |
| H7 | C31 | H8 | 109.5° | 109.4° |
| H9 | C30 | H10 | 109.5° | 109.4° |
| H11 | C29 | H12 | 109.5° | 109.5° |
| H15 | C43 | H16 | 109.5° | 109.5° |
| H15 | C43 | H17 | 109.5° | 109.4° |
| H16 | C43 | H17 | 109.5° | 109.4° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| H25 | C16 | H26 | 109.4° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C39 | C40 | H2 | 180.0° | 179.9° |
| C39 | C38 | C37 | H3 | 180.0° | 179.9° |
| C38 | C39 | C40 | C35 | 0.2° | 0.0° |
| C39 | C38 | C37 | O41 | 179.6° | 180.0° |
| C39 | C38 | C37 | C36 | 0.1° | 0.1° |
| C38 | C39 | C40 | H1 | 179.8° | 179.9° |
| C40 | C39 | C38 | C37 | 0.1° | 0.1° |
| C39 | C40 | C35 | H1 | 180.0° | 179.9° |
| C39 | C40 | C35 | C36 | 0.3° | 0.0° |
| C39 | C40 | C35 | C33 | 179.0° | 179.8° |
| C40 | C39 | C38 | H3 | 179.8° | 180.0° |
| C38 | C37 | O41 | C36 | 179.7° | 179.9° |
| C38 | C37 | C36 | C35 | 0.2° | 0.1° |
| C38 | C37 | C36 | O42 | 179.9° | 179.7° |
| C37 | C38 | C39 | H2 | 179.9° | 180.0° |
| C38 | C37 | O41 | H4 | 180.0° | 89.9° |
| C40 | C35 | C36 | C37 | 0.3° | 0.0° |
| C40 | C35 | C36 | C33 | 178.7° | 179.8° |
| C40 | C35 | C36 | O42 | 179.8° | 179.8° |
| C40 | C35 | C33 | O34 | 29.3° | 179.8° |
| C40 | C35 | C33 | N32 | 148.6° | 0.5° |
| C35 | C40 | C39 | H2 | 179.8° | 180.0° |
| O41 | C37 | C36 | C35 | 179.5° | 180.0° |
| O41 | C37 | C36 | O42 | 0.4° | 0.2° |
| O41 | C37 | C38 | H3 | 0.4° | 0.1° |
| C37 | C36 | C35 | O42 | 179.9° | 179.8° |
| C37 | C36 | C35 | C33 | 179.0° | 179.8° |
| C36 | C37 | C38 | H3 | 179.8° | 180.0° |
| C36 | C37 | O41 | H4 | 0.3° | 90.0° |
| C37 | C36 | O42 | H5 | 180.0° | 90.2° |
| C36 | C35 | C33 | O34 | 152.0° | 0.0° |
| C36 | C35 | C33 | N32 | 30.1° | 179.7° |
| C36 | C35 | C40 | H1 | 179.7° | 179.9° |
| C35 | C36 | O42 | H5 | 0.1° | 90.0° |
| C33 | C35 | C36 | O42 | 1.1° | 0.0° |
| C35 | C33 | O34 | N32 | 177.8° | 179.7° |
| C35 | C33 | N32 | C31 | 176.5° | 179.7° |
| C33 | C35 | C40 | H1 | 1.0° | 0.3° |
| C35 | C33 | N32 | H6 | 3.5° | 0.3° |
| O45 | C5 | C4 | C6 | 179.1° | 180.0° |
| O45 | C5 | C4 | C3 | 178.9° | 180.0° |
| O45 | C5 | C6 | O44 | 0.7° | 0.0° |
| O45 | C5 | C6 | C1 | 179.1° | 179.9° |
| O45 | C5 | C4 | H20 | 1.1° | 0.1° |
| C5 | C4 | C3 | H20 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.3° | 0.3° |
| C4 | C5 | C6 | O44 | 179.8° | 179.9° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C4 | C5 | O45 | H19 | 180.0° | 90.0° |
| C5 | C4 | C3 | H21 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | C2 | H21 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.6° |
| C4 | C3 | C2 | H22 | 179.9° | 180.0° |
| O34 | C33 | N32 | C31 | 1.4° | 0.0° |
| O34 | C33 | N32 | H6 | 178.6° | 180.0° |
| C5 | C6 | O44 | C1 | 179.8° | 179.9° |
| C5 | C6 | C1 | C2 | 0.1° | 0.2° |
| C5 | C6 | C1 | C7 | 179.2° | 179.9° |
| C5 | C6 | O44 | H18 | 180.0° | 89.9° |
| C6 | C5 | O45 | H19 | 0.9° | 90.0° |
| C6 | C5 | C4 | H20 | 179.8° | 179.9° |
| C33 | N32 | C31 | H6 | 180.0° | 180.0° |
| C33 | N32 | C31 | C30 | 147.4° | 180.0° |
| C33 | N32 | C31 | H7 | 92.2° | 60.0° |
| C33 | N32 | C31 | H8 | 27.0° | 59.9° |
| C3 | C2 | C1 | C6 | 0.0° | 0.5° |
| C3 | C2 | C1 | H22 | 180.0° | 179.4° |
| C3 | C2 | C1 | C7 | 179.2° | 179.8° |
| C2 | C3 | C4 | H20 | 179.7° | 179.8° |
| N32 | C31 | C30 | H7 | 120.4° | 120.0° |
| N32 | C31 | C30 | H8 | 120.4° | 120.0° |
| N32 | C31 | C30 | C29 | 81.8° | 180.0° |
| N32 | C31 | H7 | H8 | 118.8° | 119.9° |
| N32 | C31 | C30 | H9 | 157.7° | 60.0° |
| N32 | C31 | C30 | H10 | 38.7° | 60.0° |
| O28 | C25 | C24 | C26 | 179.3° | 179.9° |
| O28 | C25 | C26 | O27 | 0.5° | 0.0° |
| O28 | C25 | C24 | C23 | 179.5° | 180.0° |
| O28 | C25 | C26 | C21 | 180.0° | 179.9° |
| O28 | C25 | C24 | H32 | 0.4° | 0.1° |
| O44 | C6 | C1 | C2 | 179.7° | 179.7° |
| O44 | C6 | C1 | C7 | 1.1° | 0.0° |
| C6 | C1 | C2 | C7 | 179.2° | 179.7° |
| C6 | C1 | C7 | N11 | 15.0° | 0.0° |
| C6 | C1 | C7 | O8 | 164.4° | 180.0° |
| C1 | C6 | O44 | H18 | 0.3° | 90.0° |
| C6 | C1 | C2 | H22 | 179.9° | 180.0° |
| C2 | C1 | C7 | N11 | 164.2° | 179.7° |
| C2 | C1 | C7 | O8 | 16.3° | 0.3° |
| C1 | C2 | C3 | H21 | 179.8° | 179.8° |
| C1 | C7 | N11 | O8 | 179.5° | 180.0° |
| C1 | C7 | N11 | C10 | 179.2° | 179.6° |
| C1 | C7 | O8 | C9 | 174.1° | 162.7° |
| C7 | C1 | C2 | H22 | 0.8° | 0.3° |
| C31 | C30 | C29 | H9 | 120.5° | 120.1° |
| C31 | C30 | C29 | H10 | 120.5° | 120.0° |
| C31 | C30 | C29 | N14 | 164.9° | 179.5° |
| C30 | C31 | N32 | H6 | 32.6° | 0.0° |
| C30 | C31 | H7 | H8 | 118.8° | 120.0° |
| C31 | C30 | H9 | H10 | 118.4° | 120.0° |
| C31 | C30 | C29 | H11 | 74.6° | 60.4° |
| C31 | C30 | C29 | H12 | 44.4° | 59.6° |
| C24 | C25 | C26 | O27 | 179.8° | 180.0° |
| C25 | C24 | C23 | H32 | 180.0° | 180.0° |
| C24 | C25 | C26 | C21 | 0.8° | 0.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C25 | O28 | H31 | 180.0° | 90.1° |
| C25 | C24 | C23 | H33 | 179.8° | 179.9° |
| C25 | C26 | O27 | C21 | 179.4° | 180.0° |
| C26 | C25 | C24 | C23 | 0.3° | 0.0° |
| C25 | C26 | C21 | C22 | 0.8° | 0.0° |
| C25 | C26 | C21 | C19 | 177.7° | 179.8° |
| C25 | C26 | O27 | H30 | 180.0° | 89.9° |
| C26 | C25 | O28 | H31 | 0.7° | 90.0° |
| C26 | C25 | C24 | H32 | 179.7° | 180.0° |
| O27 | C26 | C21 | C22 | 179.8° | 180.0° |
| O27 | C26 | C21 | C19 | 1.7° | 0.2° |
| C24 | C23 | C22 | H33 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | H34 | 179.8° | 179.7° |
| C26 | C21 | C22 | C23 | 0.3° | 0.0° |
| C26 | C21 | C22 | C19 | 178.5° | 179.8° |
| C26 | C21 | C19 | N18 | 17.7° | 179.7° |
| C26 | C21 | C19 | O20 | 165.9° | 0.2° |
| C21 | C26 | O27 | H30 | 0.6° | 90.1° |
| C26 | C21 | C22 | H34 | 179.7° | 179.7° |
| N11 | C7 | O8 | C9 | 5.5° | 17.3° |
| C7 | N11 | C10 | C9 | 6.8° | 15.0° |
| C7 | N11 | C10 | C12 | 129.9° | 133.2° |
| C7 | N11 | C10 | H13 | 106.9° | 103.1° |
| O8 | C7 | N11 | C10 | 1.2° | 0.4° |
| C7 | O8 | C9 | C10 | 9.3° | 24.9° |
| C7 | O8 | C9 | C43 | 131.2° | 142.9° |
| C7 | O8 | C9 | H14 | 109.1° | 93.1° |
| C30 | C29 | N14 | H11 | 120.5° | 120.1° |
| C30 | C29 | N14 | H12 | 120.5° | 120.0° |
| C30 | C29 | N14 | C12 | 160.4° | 84.2° |
| C30 | C29 | N14 | C15 | 20.1° | 95.8° |
| C29 | C30 | C31 | H7 | 38.7° | 60.0° |
| C29 | C30 | C31 | H8 | 157.9° | 60.0° |
| C29 | C30 | H9 | H10 | 118.4° | 119.9° |
| C30 | C29 | H11 | H12 | 118.3° | 120.0° |
| C23 | C22 | C21 | H34 | 180.0° | 179.7° |
| C23 | C22 | C21 | C19 | 178.2° | 179.8° |
| C22 | C23 | C24 | H32 | 179.8° | 180.0° |
| C29 | N14 | C12 | C15 | 179.5° | 179.9° |
| C29 | N14 | C12 | C10 | 1.9° | 175.0° |
| C29 | N14 | C12 | O13 | 179.5° | 5.0° |
| C29 | N14 | C15 | C16 | 109.0° | 89.7° |
| N14 | C29 | C30 | H9 | 44.4° | 59.5° |
| N14 | C29 | C30 | H10 | 74.6° | 60.5° |
| N14 | C29 | H11 | H12 | 118.3° | 120.0° |
| C29 | N14 | C15 | H23 | 131.1° | 150.2° |
| C29 | N14 | C15 | H24 | 10.8° | 30.3° |
| C22 | C21 | C19 | N18 | 160.8° | 0.1° |
| C22 | C21 | C19 | O20 | 15.6° | 180.0° |
| C21 | C22 | C23 | H33 | 179.8° | 180.0° |
| C21 | C19 | N18 | O20 | 176.3° | 179.9° |
| C21 | C19 | N18 | C17 | 176.5° | 180.0° |
| C21 | C19 | N18 | H29 | 3.5° | 0.1° |
| C19 | C21 | C22 | H34 | 1.8° | 0.1° |
| N11 | C10 | C9 | O8 | 9.8° | 23.5° |
| N11 | C10 | C12 | N14 | 22.6° | 148.1° |
| N11 | C10 | C9 | C12 | 126.0° | 118.1° |
| N11 | C10 | C9 | H13 | 114.5° | 118.2° |
| N11 | C10 | C12 | H13 | 123.5° | 123.7° |
| N11 | C10 | C9 | C43 | 129.1° | 141.5° |
| N11 | C10 | C12 | O13 | 155.1° | 31.9° |
| N11 | C10 | C9 | H14 | 109.6° | 94.5° |
| O8 | C9 | C10 | C43 | 119.3° | 118.0° |
| O8 | C9 | C10 | H14 | 119.4° | 118.0° |
| O8 | C9 | C10 | C12 | 135.8° | 141.6° |
| O8 | C9 | C43 | H14 | 120.5° | 124.0° |
| O8 | C9 | C10 | H13 | 104.7° | 94.7° |
| O8 | C9 | C43 | H15 | 180.0° | 59.6° |
| O8 | C9 | C43 | H16 | 60.0° | 60.5° |
| O8 | C9 | C43 | H17 | 60.0° | 179.5° |
| C19 | N18 | C17 | H29 | 180.0° | 179.9° |
| C19 | N18 | C17 | C16 | 110.9° | 179.9° |
| C19 | N18 | C17 | H27 | 128.8° | 60.0° |
| C19 | N18 | C17 | H28 | 9.4° | 60.0° |
| C17 | N18 | C19 | O20 | 0.2° | 0.1° |
| N18 | C17 | C16 | H27 | 120.3° | 120.0° |
| N18 | C17 | C16 | H28 | 120.3° | 120.0° |
| N18 | C17 | C16 | C15 | 95.5° | 180.0° |
| N18 | C17 | C16 | H25 | 144.0° | 60.0° |
| N18 | C17 | C16 | H26 | 25.0° | 60.0° |
| N18 | C17 | H27 | H28 | 119.1° | 120.0° |
| O20 | C19 | N18 | H29 | 179.8° | 180.0° |
| N14 | C12 | C10 | C9 | 94.6° | 99.3° |
| N14 | C12 | C10 | O13 | 177.7° | 180.0° |
| C12 | N14 | C15 | C16 | 70.5° | 90.2° |
| C12 | N14 | C29 | H11 | 79.1° | 35.9° |
| C12 | N14 | C29 | H12 | 39.9° | 155.9° |
| N14 | C12 | C10 | H13 | 146.1° | 24.4° |
| C12 | N14 | C15 | H23 | 49.3° | 29.9° |
| C12 | N14 | C15 | H24 | 169.6° | 149.8° |
| C15 | N14 | C12 | C10 | 177.6° | 4.9° |
| N14 | C15 | C16 | C17 | 88.9° | 180.0° |
| C15 | N14 | C12 | O13 | 0.0° | 175.1° |
| N14 | C15 | C16 | H23 | 119.9° | 120.1° |
| N14 | C15 | C16 | H24 | 119.8° | 120.1° |
| C15 | N14 | C29 | H11 | 100.4° | 144.2° |
| C15 | N14 | C29 | H12 | 140.6° | 24.2° |
| N14 | C15 | H23 | H24 | 120.3° | 120.0° |
| N14 | C15 | C16 | H25 | 150.7° | 60.0° |
| N14 | C15 | C16 | H26 | 31.6° | 60.0° |
| C9 | C10 | C12 | H13 | 119.3° | 123.7° |
| C10 | C9 | C43 | H14 | 121.3° | 124.0° |
| C9 | C10 | C12 | O13 | 87.6° | 80.7° |
| C10 | C9 | C43 | H15 | 61.8° | 52.5° |
| C10 | C9 | C43 | H16 | 58.3° | 172.5° |
| C10 | C9 | C43 | H17 | 178.2° | 67.5° |
| C12 | C10 | C9 | C43 | 104.9° | 100.3° |
| C12 | C10 | C9 | H14 | 16.4° | 23.6° |
| C43 | C9 | C10 | H13 | 14.6° | 23.4° |
| C9 | C43 | H15 | H16 | 120.0° | 120.1° |
| C9 | C43 | H15 | H17 | 120.0° | 120.0° |
| C9 | C43 | H16 | H17 | 120.0° | 120.0° |
| C17 | C16 | C15 | H25 | 120.5° | 120.0° |
| C17 | C16 | C15 | H26 | 120.5° | 120.1° |
| C17 | C16 | C15 | H23 | 151.3° | 59.9° |
| C17 | C16 | C15 | H24 | 31.0° | 59.9° |
| C17 | C16 | H25 | H26 | 118.6° | 120.1° |
| C16 | C17 | H27 | H28 | 119.1° | 120.0° |
| C16 | C17 | N18 | H29 | 69.1° | 0.0° |
| O13 | C12 | C10 | H13 | 31.6° | 155.6° |
| C16 | C15 | H23 | H24 | 120.4° | 119.9° |
| C15 | C16 | H25 | H26 | 118.6° | 119.9° |
| C15 | C16 | C17 | H27 | 24.8° | 60.0° |
| C15 | C16 | C17 | H28 | 144.2° | 60.0° |
| H1 | C40 | C39 | H2 | 0.2° | 0.1° |
| H2 | C39 | C38 | H3 | 0.2° | 0.1° |
| H6 | N32 | C31 | H7 | 87.8° | 120.0° |
| H6 | N32 | C31 | H8 | 153.0° | 120.1° |
| H7 | C31 | C30 | H9 | 81.9° | NaN° |
| H7 | C31 | C30 | H10 | 159.2° | 60.0° |
| H8 | C31 | C30 | H9 | 37.3° | 60.1° |
| H8 | C31 | C30 | H10 | 81.6° | 180.0° |
| H9 | C30 | C29 | H11 | 164.9° | 179.5° |
| H9 | C30 | C29 | H12 | 76.2° | 60.5° |
| H10 | C30 | C29 | H11 | 45.9° | 59.6° |
| H10 | C30 | C29 | H12 | 164.9° | 179.6° |
| H13 | C10 | C9 | H14 | 135.9° | 147.3° |
| H14 | C9 | C43 | H15 | 59.5° | 176.5° |
| H14 | C9 | C43 | H16 | 179.5° | 63.5° |
| H14 | C9 | C43 | H17 | 60.5° | 56.5° |
| H15 | C43 | H16 | H17 | 120.0° | 119.9° |
| H20 | C4 | C3 | H21 | 0.3° | 0.1° |
| H21 | C3 | C2 | H22 | 0.1° | 0.3° |
| H23 | C15 | C16 | H25 | 30.8° | 180.0° |
| H23 | C15 | C16 | H26 | 88.3° | 60.1° |
| H24 | C15 | C16 | H25 | 89.5° | 60.1° |
| H24 | C15 | C16 | H26 | 151.4° | 180.0° |
| H25 | C16 | C17 | H27 | 95.7° | 180.0° |
| H25 | C16 | C17 | H28 | 23.7° | 60.0° |
| H26 | C16 | C17 | H27 | 145.3° | 60.0° |
| H26 | C16 | C17 | H28 | 95.3° | 179.9° |
| H27 | C17 | N18 | H29 | 51.2° | 119.9° |
| H28 | C17 | N18 | H29 | 170.6° | 120.0° |
| H32 | C24 | C23 | H33 | 0.2° | 0.0° |
| H33 | C23 | C22 | H34 | 0.2° | 0.4° |
