CVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | C38 | doub | 1.21Å | 1.25Å | |
| O37 | C38 | sing | 1.34Å | 1.25Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| O41 | C36 | sing | 1.43Å | 1.43Å | |
| C39 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.36Å | 1.37Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.36Å | 1.37Å | Aromatic |
| C35 | N12 | sing | 1.46Å | 1.46Å | |
| C34 | C29 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | C30 | doub | 1.41Å | 1.42Å | Aromatic |
| O13 | C11 | doub | 1.21Å | 1.23Å | |
| N12 | C11 | sing | 1.35Å | 1.34Å | |
| C29 | C30 | sing | 1.42Å | 1.41Å | Aromatic |
| C29 | N28 | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | C9 | sing | 1.51Å | 1.54Å | |
| C30 | N27 | sing | 1.34Å | 1.37Å | Aromatic |
| N28 | C25 | doub | 1.32Å | 1.32Å | Aromatic |
| O8 | C4 | doub | 1.22Å | 1.23Å | |
| N27 | C26 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | N5 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C4 | N5 | sing | 1.35Å | 1.44Å | |
| C4 | C3 | sing | 1.42Å | 1.48Å | |
| N5 | C6 | sing | 1.35Å | 1.39Å | |
| C25 | C26 | sing | 1.41Å | 1.43Å | Aromatic |
| C25 | N24 | sing | 1.39Å | 1.38Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | N15 | sing | 1.41Å | 1.41Å | |
| C3 | C2 | doub | 1.35Å | 1.36Å | |
| N15 | C16 | sing | 1.35Å | 1.38Å | |
| O7 | C6 | doub | 1.22Å | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.38Å | |
| C2 | N1 | sing | 1.37Å | 1.37Å | |
| N24 | C21 | sing | 1.39Å | 1.41Å | |
| N1 | C14 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.49Å | |
| C17 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | O18 | doub | 1.22Å | 1.23Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| N24 | H15 | sing | 0.97Å | 1.00Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| O37 | H24 | sing | 0.97Å | 0.95Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| O41 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C38 | O37 | 124.8° | 120.0° |
| O40 | C38 | C39 | 117.1° | 120.0° |
| O37 | C38 | C39 | 118.1° | 120.0° |
| C38 | O37 | H24 | 109.5° | 117.1° |
| C38 | C39 | C35 | 112.1° | 109.5° |
| C38 | C39 | H25 | 108.8° | 109.5° |
| C38 | C39 | H26 | 108.8° | 109.5° |
| O41 | C36 | C35 | 113.2° | 109.4° |
| O41 | C36 | H22 | 108.5° | 109.5° |
| O41 | C36 | H23 | 108.5° | 109.5° |
| C36 | O41 | H27 | 109.5° | 114.0° |
| C39 | C35 | C36 | 112.1° | 109.5° |
| C39 | C35 | N12 | 110.6° | 109.5° |
| C39 | C35 | H21 | 107.0° | 109.4° |
| C35 | C39 | H25 | 108.8° | 109.4° |
| C35 | C39 | H26 | 108.8° | 109.5° |
| C32 | C33 | C34 | 120.8° | 120.9° |
| C33 | C32 | C31 | 120.7° | 120.9° |
| C33 | C32 | H18 | 119.7° | 119.5° |
| C32 | C33 | H19 | 119.6° | 119.6° |
| C33 | C34 | C29 | 120.1° | 119.7° |
| C34 | C33 | H19 | 119.6° | 119.5° |
| C33 | C34 | H20 | 119.9° | 120.2° |
| C36 | C35 | N12 | 111.8° | 109.5° |
| C36 | C35 | H21 | 107.2° | 109.5° |
| C35 | C36 | H22 | 108.5° | 109.4° |
| C35 | C36 | H23 | 108.5° | 109.5° |
| C32 | C31 | C30 | 120.0° | 119.7° |
| C32 | C31 | H17 | 120.0° | 120.1° |
| C31 | C32 | H18 | 119.6° | 119.5° |
| C35 | N12 | C11 | 122.8° | 120.0° |
| C35 | N12 | H9 | 118.6° | 120.0° |
| N12 | C35 | H21 | 107.8° | 109.5° |
| C34 | C29 | C30 | 119.2° | 119.3° |
| C34 | C29 | N28 | 119.7° | 121.0° |
| C29 | C34 | H20 | 120.0° | 120.1° |
| C31 | C30 | C29 | 119.2° | 119.3° |
| C31 | C30 | N27 | 119.7° | 120.9° |
| C30 | C31 | H17 | 120.0° | 120.2° |
| O13 | C11 | N12 | 122.8° | 120.0° |
| O13 | C11 | C9 | 120.2° | 120.0° |
| N12 | C11 | C9 | 117.0° | 120.0° |
| C11 | N12 | H9 | 118.6° | 120.0° |
| C30 | C29 | N28 | 121.1° | 119.7° |
| C29 | C30 | N27 | 121.1° | 119.7° |
| C29 | N28 | C25 | 116.7° | 119.7° |
| C11 | C9 | N5 | 109.3° | 109.4° |
| C11 | C9 | C10 | 116.0° | 109.5° |
| C11 | C9 | H1 | 105.7° | 109.5° |
| C30 | N27 | C26 | 116.7° | 119.8° |
| N28 | C25 | C26 | 122.1° | 120.5° |
| N28 | C25 | N24 | 120.2° | 119.8° |
| O8 | C4 | N5 | 122.5° | 120.3° |
| O8 | C4 | C3 | 121.7° | 120.3° |
| N27 | C26 | C25 | 122.3° | 120.6° |
| N27 | C26 | H16 | 118.9° | 119.7° |
| N5 | C9 | C10 | 113.0° | 109.5° |
| C9 | N5 | C4 | 118.0° | 119.8° |
| C9 | N5 | C6 | 118.0° | 119.8° |
| N5 | C9 | H1 | 106.4° | 109.5° |
| C10 | C9 | H1 | 105.7° | 109.5° |
| C9 | C10 | H2 | 109.5° | 109.4° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| N5 | C4 | C3 | 115.8° | 119.4° |
| C4 | N5 | C6 | 123.9° | 120.4° |
| C4 | C3 | N15 | 112.0° | 120.5° |
| C4 | C3 | C2 | 116.3° | 119.0° |
| N5 | C6 | O7 | 122.1° | 119.5° |
| N5 | C6 | N1 | 115.9° | 121.0° |
| C26 | C25 | N24 | 117.7° | 119.7° |
| C25 | C26 | H16 | 118.9° | 119.7° |
| C25 | N24 | C21 | 131.1° | 120.0° |
| C25 | N24 | H15 | 114.5° | 120.0° |
| C23 | C22 | C21 | 120.3° | 120.1° |
| C22 | C23 | C17 | 120.7° | 119.9° |
| C23 | C22 | H13 | 119.9° | 120.0° |
| C22 | C23 | H14 | 119.7° | 120.1° |
| C22 | C21 | N24 | 122.7° | 120.0° |
| C22 | C21 | C20 | 119.3° | 120.1° |
| C21 | C22 | H13 | 119.9° | 119.9° |
| C23 | C17 | C16 | 122.0° | 120.1° |
| C23 | C17 | C19 | 118.7° | 119.9° |
| C17 | C23 | H14 | 119.7° | 120.0° |
| N15 | C3 | C2 | 130.2° | 120.5° |
| C3 | N15 | C16 | 124.8° | 120.0° |
| C3 | N15 | H10 | 117.6° | 120.0° |
| C3 | C2 | N1 | 124.7° | 119.6° |
| C3 | C2 | H8 | 117.6° | 120.1° |
| N15 | C16 | C17 | 116.5° | 120.0° |
| N15 | C16 | O18 | 122.3° | 120.0° |
| C16 | N15 | H10 | 117.6° | 120.0° |
| O7 | C6 | N1 | 121.9° | 119.5° |
| C6 | N1 | C2 | 122.4° | 120.6° |
| C6 | N1 | C14 | 117.6° | 119.7° |
| C2 | N1 | C14 | 120.1° | 119.7° |
| N1 | C2 | H8 | 117.6° | 120.3° |
| N24 | C21 | C20 | 118.0° | 119.9° |
| C21 | N24 | H15 | 114.5° | 120.0° |
| N1 | C14 | H5 | 109.5° | 109.5° |
| N1 | C14 | H6 | 109.5° | 109.4° |
| N1 | C14 | H7 | 109.5° | 109.5° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C21 | C20 | H12 | 119.9° | 120.0° |
| C16 | C17 | C19 | 119.2° | 120.1° |
| C17 | C16 | O18 | 121.0° | 120.0° |
| C17 | C19 | C20 | 120.8° | 119.9° |
| C17 | C19 | H11 | 119.6° | 120.0° |
| C20 | C19 | H11 | 119.6° | 120.0° |
| C19 | C20 | H12 | 119.8° | 120.0° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H25 | C39 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C38 | O37 | C39 | 179.5° | 180.0° |
| O40 | C38 | C39 | C35 | 133.8° | 0.0° |
| O40 | C38 | O37 | H24 | 0.0° | 0.0° |
| O40 | C38 | C39 | H25 | 13.4° | 120.0° |
| O40 | C38 | C39 | H26 | 105.8° | 120.0° |
| O37 | C38 | C39 | C35 | 45.7° | 180.0° |
| O37 | C38 | C39 | H25 | 166.1° | 60.0° |
| O37 | C38 | C39 | H26 | 74.7° | 60.0° |
| C38 | C39 | C35 | H25 | 120.4° | 120.0° |
| C38 | C39 | C35 | H26 | 120.4° | 120.0° |
| C38 | C39 | C35 | C36 | 79.1° | 175.0° |
| C38 | C39 | C35 | N12 | 155.4° | 65.0° |
| C38 | C39 | C35 | H21 | 38.2° | 55.0° |
| C39 | C38 | O37 | H24 | 179.5° | 180.0° |
| C38 | C39 | H25 | H26 | 118.8° | 120.1° |
| O41 | C36 | C35 | C39 | 62.6° | 55.0° |
| O41 | C36 | C35 | H22 | 120.5° | 120.0° |
| O41 | C36 | C35 | H23 | 120.6° | 120.0° |
| O41 | C36 | C35 | N12 | 172.4° | 65.0° |
| O41 | C36 | C35 | H21 | 54.5° | 175.0° |
| O41 | C36 | H22 | H23 | 118.3° | 120.1° |
| C39 | C35 | C36 | N12 | 124.9° | 120.0° |
| C39 | C35 | C36 | H21 | 117.2° | 120.0° |
| C39 | C35 | N12 | H21 | 116.7° | 120.0° |
| C39 | C35 | N12 | C11 | 106.5° | 155.0° |
| C39 | C35 | N12 | H9 | 73.5° | 25.0° |
| C39 | C35 | C36 | H22 | 176.8° | 175.0° |
| C39 | C35 | C36 | H23 | 57.9° | 65.0° |
| C35 | C39 | H25 | H26 | 118.8° | 120.0° |
| C32 | C33 | C34 | H19 | 180.0° | 179.2° |
| C33 | C32 | C31 | H18 | 180.0° | 179.9° |
| C32 | C33 | C34 | C29 | 0.2° | 1.6° |
| C33 | C32 | C31 | C30 | 0.1° | 0.1° |
| C33 | C32 | C31 | H17 | 179.9° | 179.9° |
| C32 | C33 | C34 | H20 | 179.8° | 180.0° |
| C34 | C33 | C32 | C31 | 0.2° | 0.7° |
| C33 | C34 | C29 | H20 | 180.0° | 178.4° |
| C33 | C34 | C29 | C30 | 0.2° | 1.6° |
| C33 | C34 | C29 | N28 | 179.4° | 179.2° |
| C34 | C33 | C32 | H18 | 179.8° | 179.2° |
| C36 | C35 | N12 | H21 | 117.5° | 120.0° |
| C36 | C35 | N12 | C11 | 127.8° | 85.0° |
| C36 | C35 | N12 | H9 | 52.2° | 95.0° |
| C35 | C36 | H22 | H23 | 118.3° | 120.0° |
| C36 | C35 | C39 | H25 | 41.3° | 65.0° |
| C36 | C35 | C39 | H26 | 160.5° | 55.0° |
| C35 | C36 | O41 | H27 | 180.0° | 180.0° |
| C32 | C31 | C30 | H17 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C32 | C31 | C30 | N27 | 179.0° | 179.2° |
| C31 | C32 | C33 | H19 | 179.8° | 179.9° |
| C35 | N12 | C11 | O13 | 11.2° | 0.0° |
| C35 | N12 | C11 | H9 | 180.0° | 180.0° |
| C35 | N12 | C11 | C9 | 167.5° | 180.0° |
| N12 | C35 | C36 | H22 | 51.9° | 55.0° |
| N12 | C35 | C36 | H23 | 67.0° | 175.0° |
| N12 | C35 | C39 | H25 | 84.2° | 55.0° |
| N12 | C35 | C39 | H26 | 35.0° | 175.0° |
| C34 | C29 | C30 | C31 | 0.1° | 0.8° |
| C34 | C29 | C30 | N28 | 179.1° | 179.1° |
| C34 | C29 | C30 | N27 | 178.9° | 180.0° |
| C34 | C29 | N28 | C25 | 178.9° | 179.7° |
| C29 | C34 | C33 | H19 | 179.7° | 179.2° |
| C31 | C30 | C29 | N27 | 179.1° | 179.2° |
| C31 | C30 | C29 | N28 | 179.3° | 180.0° |
| C31 | C30 | N27 | C26 | 179.2° | 179.7° |
| C30 | C31 | C32 | H18 | 179.9° | 180.0° |
| O13 | C11 | N12 | C9 | 178.7° | 180.0° |
| O13 | C11 | C9 | N5 | 44.3° | 0.0° |
| O13 | C11 | C9 | C10 | 173.4° | 120.0° |
| O13 | C11 | C9 | H1 | 69.8° | 120.0° |
| O13 | C11 | N12 | H9 | 168.8° | 180.0° |
| N12 | C11 | C9 | N5 | 137.0° | 180.0° |
| N12 | C11 | C9 | C10 | 7.8° | 60.0° |
| N12 | C11 | C9 | H1 | 108.9° | 60.0° |
| C11 | N12 | C35 | H21 | 10.2° | 35.0° |
| C30 | C29 | N28 | C25 | 0.3° | 0.5° |
| C29 | C30 | N27 | C26 | 0.1° | 0.6° |
| C29 | C30 | C31 | H17 | 180.0° | 180.0° |
| C30 | C29 | C34 | H20 | 179.8° | 180.0° |
| N28 | C29 | C30 | N27 | 0.2° | 0.8° |
| C29 | N28 | C25 | C26 | 0.2° | 0.0° |
| C29 | N28 | C25 | N24 | 179.2° | 179.7° |
| N28 | C29 | C34 | H20 | 0.6° | 0.9° |
| C11 | C9 | N5 | C10 | 130.8° | 120.0° |
| C11 | C9 | N5 | H1 | 113.6° | 120.0° |
| C11 | C9 | C10 | H1 | 116.7° | 120.0° |
| C11 | C9 | N5 | C4 | 66.3° | 60.0° |
| C11 | C9 | N5 | C6 | 110.2° | 120.0° |
| C11 | C9 | C10 | H2 | 180.0° | 60.0° |
| C11 | C9 | C10 | H3 | 60.0° | 59.9° |
| C11 | C9 | C10 | H4 | 60.0° | 180.0° |
| C9 | C11 | N12 | H9 | 12.5° | 0.1° |
| C30 | N27 | C26 | C25 | 0.1° | 0.0° |
| C30 | N27 | C26 | H16 | 180.0° | 179.9° |
| N27 | C30 | C31 | H17 | 1.0° | 0.8° |
| N28 | C25 | C26 | N27 | 0.1° | 0.3° |
| N28 | C25 | C26 | N24 | 179.0° | 179.7° |
| N28 | C25 | N24 | C21 | 1.4° | 5.8° |
| N28 | C25 | N24 | H15 | 178.6° | 174.2° |
| N28 | C25 | C26 | H16 | 179.9° | 179.8° |
| O8 | C4 | N5 | C9 | 7.9° | 0.3° |
| O8 | C4 | N5 | C3 | 179.9° | 179.7° |
| O8 | C4 | N5 | C6 | 168.4° | 179.7° |
| O8 | C4 | C3 | N15 | 16.7° | 0.3° |
| O8 | C4 | C3 | C2 | 175.9° | 179.7° |
| N27 | C26 | C25 | H16 | 180.0° | 179.9° |
| N27 | C26 | C25 | N24 | 179.2° | 180.0° |
| N5 | C9 | C10 | H1 | 115.9° | 120.0° |
| C9 | N5 | C4 | C6 | 176.3° | 180.0° |
| C9 | N5 | C4 | C3 | 171.9° | 180.0° |
| C9 | N5 | C6 | O7 | 10.8° | 0.0° |
| C9 | N5 | C6 | N1 | 172.8° | 180.0° |
| N5 | C9 | C10 | H2 | 52.7° | 180.0° |
| N5 | C9 | C10 | H3 | 172.7° | 60.0° |
| N5 | C9 | C10 | H4 | 67.4° | 60.1° |
| C10 | C9 | N5 | C4 | 64.5° | 60.0° |
| C10 | C9 | N5 | C6 | 119.0° | 120.0° |
| C9 | C10 | H2 | H3 | 120.0° | 120.0° |
| C9 | C10 | H2 | H4 | 120.0° | 120.0° |
| C9 | C10 | H3 | H4 | 120.0° | 120.1° |
| N5 | C4 | C3 | N15 | 163.1° | 180.0° |
| N5 | C4 | C3 | C2 | 4.2° | 0.0° |
| C4 | N5 | C6 | O7 | 165.5° | 180.0° |
| C4 | N5 | C6 | N1 | 10.9° | 0.1° |
| C4 | N5 | C9 | H1 | 180.0° | 180.0° |
| C3 | C4 | N5 | C6 | 11.8° | 0.1° |
| C4 | C3 | N15 | C2 | 165.1° | 180.0° |
| C4 | C3 | N15 | C16 | 144.5° | 59.0° |
| C4 | C3 | C2 | N1 | 3.6° | 0.0° |
| C4 | C3 | C2 | H8 | 176.4° | 180.0° |
| C4 | C3 | N15 | H10 | 35.5° | 121.0° |
| N5 | C6 | O7 | N1 | 176.2° | 179.9° |
| N5 | C6 | N1 | C2 | 2.5° | 0.1° |
| N5 | C6 | N1 | C14 | 179.4° | 180.0° |
| C6 | N5 | C9 | H1 | 3.5° | 0.0° |
| C26 | C25 | N24 | C21 | 177.7° | 174.5° |
| C26 | C25 | N24 | H15 | 2.3° | 5.4° |
| C25 | N24 | C21 | C22 | 23.3° | 147.2° |
| C25 | N24 | C21 | H15 | 180.0° | 180.0° |
| C25 | N24 | C21 | C20 | 157.0° | 32.7° |
| N24 | C25 | C26 | H16 | 0.8° | 0.1° |
| C23 | C22 | C21 | H13 | 180.0° | 179.4° |
| C22 | C23 | C17 | H14 | 180.0° | 179.5° |
| C23 | C22 | C21 | N24 | 179.5° | 179.8° |
| C23 | C22 | C21 | C20 | 0.8° | 0.4° |
| C22 | C23 | C17 | C16 | 174.5° | 179.7° |
| C22 | C23 | C17 | C19 | 1.3° | 0.5° |
| C21 | C22 | C23 | C17 | 1.5° | 0.6° |
| C22 | C21 | N24 | C20 | 179.7° | 179.9° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C22 | C21 | C20 | H12 | 179.9° | 179.9° |
| C21 | C22 | C23 | H14 | 178.5° | 179.9° |
| C22 | C21 | N24 | H15 | 156.7° | 32.9° |
| C23 | C17 | C16 | N15 | 21.1° | 0.2° |
| C23 | C17 | C16 | C19 | 175.8° | 179.8° |
| C23 | C17 | C16 | O18 | 152.7° | 179.7° |
| C23 | C17 | C19 | C20 | 0.6° | 0.2° |
| C23 | C17 | C19 | H11 | 179.4° | 179.8° |
| C17 | C23 | C22 | H13 | 178.5° | 179.9° |
| C3 | N15 | C16 | H10 | 180.0° | 180.0° |
| N15 | C3 | C2 | N1 | 168.1° | 180.0° |
| C3 | N15 | C16 | C17 | 173.3° | 175.1° |
| C3 | N15 | C16 | O18 | 12.9° | 5.0° |
| N15 | C3 | C2 | H8 | 11.9° | 0.1° |
| C2 | C3 | N15 | C16 | 20.6° | 120.9° |
| C3 | C2 | N1 | C6 | 4.8° | 0.0° |
| C3 | C2 | N1 | H8 | 180.0° | 179.9° |
| C3 | C2 | N1 | C14 | 173.3° | 180.0° |
| C2 | C3 | N15 | H10 | 159.5° | 59.1° |
| N15 | C16 | C17 | O18 | 173.9° | 179.9° |
| N15 | C16 | C17 | C19 | 163.1° | 180.0° |
| O7 | C6 | N1 | C2 | 173.9° | 180.0° |
| O7 | C6 | N1 | C14 | 4.2° | 0.1° |
| C6 | N1 | C2 | C14 | 178.1° | 179.9° |
| C6 | N1 | C14 | H5 | 180.0° | 90.0° |
| C6 | N1 | C14 | H6 | 60.0° | 150.0° |
| C6 | N1 | C14 | H7 | 60.0° | 30.0° |
| C6 | N1 | C2 | H8 | 175.2° | 180.0° |
| C2 | N1 | C14 | H5 | 1.8° | 89.9° |
| C2 | N1 | C14 | H6 | 118.2° | 30.0° |
| C2 | N1 | C14 | H7 | 121.8° | 150.0° |
| N24 | C21 | C20 | C19 | 179.8° | 180.0° |
| N24 | C21 | C20 | H12 | 0.2° | 0.1° |
| N24 | C21 | C22 | H13 | 0.5° | 0.4° |
| N1 | C14 | H5 | H6 | 120.0° | 119.9° |
| N1 | C14 | H5 | H7 | 120.0° | 120.0° |
| N1 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | N1 | C2 | H8 | 6.7° | 0.1° |
| C21 | C20 | C19 | C17 | 0.0° | 0.0° |
| C21 | C20 | C19 | H12 | 180.0° | 180.0° |
| C21 | C20 | C19 | H11 | 180.0° | 180.0° |
| C20 | C21 | C22 | H13 | 179.1° | 179.7° |
| C20 | C21 | N24 | H15 | 23.0° | 147.2° |
| C16 | C17 | C19 | C20 | 175.3° | 180.0° |
| C17 | C16 | N15 | H10 | 6.7° | 4.9° |
| C16 | C17 | C19 | H11 | 4.7° | 0.0° |
| C16 | C17 | C23 | H14 | 5.5° | 0.2° |
| C19 | C17 | C16 | O18 | 23.1° | 0.1° |
| C17 | C19 | C20 | H11 | 180.0° | 180.0° |
| C17 | C19 | C20 | H12 | 180.0° | 180.0° |
| C19 | C17 | C23 | H14 | 178.7° | 180.0° |
| O18 | C16 | N15 | H10 | 167.1° | 175.0° |
| H1 | C9 | C10 | H2 | 63.3° | 60.0° |
| H1 | C9 | C10 | H3 | 56.7° | 180.0° |
| H1 | C9 | C10 | H4 | 176.7° | 60.0° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H5 | C14 | H6 | H7 | 120.0° | 120.1° |
| H9 | N12 | C35 | H21 | 169.8° | 145.0° |
| H11 | C19 | C20 | H12 | 0.0° | 0.0° |
| H13 | C22 | C23 | H14 | 1.5° | 0.5° |
| H17 | C31 | C32 | H18 | 0.1° | 0.1° |
| H18 | C32 | C33 | H19 | 0.2° | 0.0° |
| H19 | C33 | C34 | H20 | 0.3° | 0.8° |
| H21 | C35 | C36 | H22 | 66.0° | 65.0° |
| H21 | C35 | C36 | H23 | 175.1° | 55.0° |
| H21 | C35 | C39 | H25 | 158.6° | 175.0° |
| H21 | C35 | C39 | H26 | 82.2° | 65.0° |
| H22 | C36 | O41 | H27 | 59.4° | 60.0° |
| H23 | C36 | O41 | H27 | 59.5° | 60.0° |
