DVJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.37Å | 1.37Å | Aromatic |
| C35 | C34 | sing | 1.36Å | 1.36Å | Aromatic |
| C37 | C38 | doub | 1.40Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.41Å | 1.42Å | Aromatic |
| C38 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | S39 | sing | 1.76Å | 1.76Å | Aromatic |
| C33 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| S39 | C31 | sing | 1.75Å | 1.75Å | Aromatic |
| C32 | C31 | doub | 1.34Å | 1.34Å | Aromatic |
| C31 | C29 | sing | 1.47Å | 1.47Å | |
| O27 | C26 | sing | 1.43Å | 1.43Å | |
| C29 | O30 | doub | 1.22Å | 1.22Å | |
| C29 | N28 | sing | 1.35Å | 1.35Å | |
| N28 | C23 | sing | 1.40Å | 1.40Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.40Å | |
| N14 | C13 | doub | 1.31Å | 1.31Å | |
| C19 | C13 | sing | 1.48Å | 1.49Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| N15 | C17 | sing | 1.35Å | 1.35Å | |
| C13 | C12 | sing | 1.41Å | 1.42Å | |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | O18 | doub | 1.22Å | 1.22Å | |
| C17 | C11 | sing | 1.42Å | 1.42Å | |
| C12 | C11 | doub | 1.37Å | 1.37Å | |
| C11 | N10 | sing | 1.39Å | 1.40Å | |
| N10 | C8 | sing | 1.40Å | 1.40Å | |
| C8 | N9 | doub | 1.32Å | 1.31Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| N9 | N5 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.34Å | 1.34Å | Aromatic |
| N5 | C4 | sing | 1.47Å | 1.46Å | |
| N5 | C6 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | C40 | sing | 1.51Å | 1.51Å | |
| C3 | N2 | sing | 1.47Å | 1.47Å | |
| C40 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| N15 | H16 | sing | 0.97Å | 1.00Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| O27 | H20 | sing | 0.97Å | 0.95Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C36 | C37 | 120.2° | 120.2° |
| C36 | C35 | C34 | 120.7° | 120.7° |
| C36 | C35 | H24 | 119.6° | 119.7° |
| C35 | C36 | H25 | 119.9° | 119.9° |
| C36 | C37 | C38 | 120.2° | 120.2° |
| C37 | C36 | H25 | 119.9° | 119.9° |
| C36 | C37 | H26 | 119.9° | 119.9° |
| C35 | C34 | C33 | 120.5° | 120.5° |
| C35 | C34 | H23 | 119.7° | 119.7° |
| C34 | C35 | H24 | 119.7° | 119.7° |
| C37 | C38 | C33 | 119.9° | 119.9° |
| C37 | C38 | S39 | 130.8° | 130.6° |
| C38 | C37 | H26 | 119.9° | 119.9° |
| C34 | C33 | C38 | 118.5° | 118.6° |
| C34 | C33 | C32 | 128.9° | 128.9° |
| C33 | C34 | H23 | 119.7° | 119.8° |
| C33 | C38 | S39 | 109.3° | 109.5° |
| C38 | C33 | C32 | 112.6° | 112.6° |
| C38 | S39 | C31 | 91.9° | 91.6° |
| C33 | C32 | C31 | 115.8° | 115.6° |
| C33 | C32 | H22 | 122.1° | 122.2° |
| S39 | C31 | C32 | 110.3° | 110.7° |
| S39 | C31 | C29 | 125.2° | 124.6° |
| C32 | C31 | C29 | 124.4° | 124.7° |
| C31 | C32 | H22 | 122.1° | 122.2° |
| C31 | C29 | O30 | 120.4° | 120.0° |
| C31 | C29 | N28 | 119.3° | 120.0° |
| O27 | C26 | C25 | 109.8° | 109.5° |
| O27 | C26 | H18 | 109.4° | 109.5° |
| O27 | C26 | H19 | 109.4° | 109.5° |
| C26 | O27 | H20 | 109.5° | 114.0° |
| O30 | C29 | N28 | 120.3° | 120.0° |
| C29 | N28 | C23 | 122.1° | 120.0° |
| C29 | N28 | H21 | 119.0° | 120.0° |
| N28 | C23 | C24 | 119.0° | 120.0° |
| N28 | C23 | C22 | 120.9° | 120.0° |
| C23 | N28 | H21 | 118.9° | 120.0° |
| C26 | C25 | C24 | 107.4° | 109.5° |
| C26 | C25 | H15 | 110.0° | 109.4° |
| C26 | C25 | H17 | 110.0° | 109.5° |
| C25 | C26 | H18 | 109.4° | 109.4° |
| C25 | C26 | H19 | 109.4° | 109.5° |
| C25 | C24 | C23 | 118.0° | 120.1° |
| C25 | C24 | C19 | 121.6° | 120.1° |
| C24 | C25 | H15 | 110.0° | 109.5° |
| C24 | C25 | H17 | 110.0° | 109.5° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C23 | C24 | C19 | 120.4° | 119.8° |
| C23 | C22 | C21 | 119.8° | 120.2° |
| C23 | C22 | H14 | 120.1° | 119.9° |
| C24 | C19 | C13 | 121.2° | 120.1° |
| C24 | C19 | C20 | 119.0° | 119.8° |
| C22 | C21 | C20 | 120.6° | 120.2° |
| C22 | C21 | H13 | 119.7° | 119.9° |
| C21 | C22 | H14 | 120.1° | 119.9° |
| N15 | N14 | C13 | 121.2° | 120.9° |
| N14 | N15 | C17 | 120.4° | 120.2° |
| N14 | N15 | H16 | 119.8° | 119.9° |
| N14 | C13 | C19 | 120.0° | 119.8° |
| N14 | C13 | C12 | 119.9° | 120.5° |
| C13 | C19 | C20 | 119.8° | 120.1° |
| C19 | C13 | C12 | 120.1° | 119.7° |
| C19 | C20 | C21 | 120.2° | 120.1° |
| C19 | C20 | H12 | 119.9° | 120.0° |
| N15 | C17 | O18 | 120.1° | 120.2° |
| N15 | C17 | C11 | 119.8° | 119.5° |
| C17 | N15 | H16 | 119.8° | 119.9° |
| C13 | C12 | C11 | 119.9° | 119.6° |
| C13 | C12 | H4 | 120.0° | 120.2° |
| C21 | C20 | H12 | 119.9° | 119.9° |
| C20 | C21 | H13 | 119.7° | 119.9° |
| O18 | C17 | C11 | 120.1° | 120.3° |
| C17 | C11 | C12 | 118.8° | 119.2° |
| C17 | C11 | N10 | 117.8° | 120.4° |
| C12 | C11 | N10 | 123.4° | 120.4° |
| C11 | C12 | H4 | 120.0° | 120.2° |
| C11 | N10 | C8 | 126.2° | 120.0° |
| C11 | N10 | H11 | 116.9° | 120.0° |
| N10 | C8 | N9 | 128.6° | 125.9° |
| N10 | C8 | C7 | 123.7° | 126.0° |
| C8 | N10 | H11 | 116.9° | 120.1° |
| N9 | C8 | C7 | 107.7° | 108.1° |
| C8 | N9 | N5 | 108.0° | 108.0° |
| C8 | C7 | C6 | 108.4° | 107.8° |
| C8 | C7 | H3 | 125.8° | 126.1° |
| N9 | N5 | C4 | 129.1° | 128.3° |
| N9 | N5 | C6 | 108.4° | 108.1° |
| C7 | C6 | N5 | 107.6° | 108.0° |
| C7 | C6 | C40 | 128.2° | 128.4° |
| C6 | C7 | H3 | 125.9° | 126.2° |
| C4 | N5 | C6 | 122.5° | 123.6° |
| N5 | C4 | C3 | 106.6° | 108.2° |
| N5 | C4 | H1 | 110.2° | 109.7° |
| N5 | C4 | H2 | 110.2° | 109.8° |
| N5 | C6 | C40 | 124.2° | 123.6° |
| C4 | C3 | N2 | 110.1° | 109.7° |
| C3 | C4 | H1 | 110.2° | 109.7° |
| C3 | C4 | H2 | 110.2° | 109.7° |
| C4 | C3 | H6 | 109.3° | 109.4° |
| C4 | C3 | H7 | 109.3° | 109.4° |
| C6 | C40 | N2 | 110.5° | 108.0° |
| C6 | C40 | H27 | 109.2° | 109.7° |
| C6 | C40 | H28 | 109.2° | 109.8° |
| C3 | N2 | C40 | 112.4° | 111.2° |
| C3 | N2 | C1 | 110.5° | 111.0° |
| N2 | C3 | H6 | 109.3° | 109.5° |
| N2 | C3 | H7 | 109.3° | 109.5° |
| C40 | N2 | C1 | 110.6° | 111.0° |
| N2 | C40 | H27 | 109.2° | 109.7° |
| N2 | C40 | H28 | 109.2° | 109.7° |
| N2 | C1 | H8 | 109.5° | 109.4° |
| N2 | C1 | H9 | 109.4° | 109.5° |
| N2 | C1 | H10 | 109.4° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H6 | C3 | H7 | 109.5° | 109.3° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H15 | C25 | H17 | 109.5° | 109.4° |
| H18 | C26 | H19 | 109.5° | 109.4° |
| H27 | C40 | H28 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C36 | C37 | H25 | 180.0° | 180.0° |
| C36 | C35 | C34 | H24 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| C36 | C35 | C34 | C33 | 0.0° | 0.1° |
| C36 | C35 | C34 | H23 | 180.0° | 180.0° |
| C35 | C36 | C37 | H26 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.0° | 0.0° |
| C36 | C37 | C38 | H26 | 180.0° | 179.9° |
| C36 | C37 | C38 | C33 | 0.0° | 0.0° |
| C36 | C37 | C38 | S39 | 180.0° | 179.7° |
| C37 | C36 | C35 | H24 | 180.0° | 180.0° |
| C35 | C34 | C33 | H23 | 180.0° | 179.9° |
| C35 | C34 | C33 | C38 | 0.0° | 0.1° |
| C35 | C34 | C33 | C32 | 180.0° | 180.0° |
| C34 | C35 | C36 | H25 | 180.0° | 180.0° |
| C37 | C38 | C33 | C34 | 0.0° | 0.1° |
| C37 | C38 | C33 | S39 | 180.0° | 179.8° |
| C37 | C38 | C33 | C32 | 180.0° | 179.9° |
| C37 | C38 | S39 | C31 | 179.9° | 180.0° |
| C38 | C37 | C36 | H25 | 180.0° | 180.0° |
| C34 | C33 | C38 | C32 | 180.0° | 179.9° |
| C34 | C33 | C38 | S39 | 180.0° | 179.7° |
| C34 | C33 | C32 | C31 | 179.9° | 180.0° |
| C34 | C33 | C32 | H22 | 0.1° | 0.1° |
| C33 | C34 | C35 | H24 | 180.0° | 180.0° |
| C33 | C38 | S39 | C31 | 0.1° | 0.3° |
| C38 | C33 | C32 | C31 | 0.1° | 0.1° |
| C38 | C33 | C32 | H22 | 179.9° | 180.0° |
| C38 | C33 | C34 | H23 | 180.0° | 180.0° |
| C33 | C38 | C37 | H26 | 180.0° | 179.9° |
| S39 | C38 | C33 | C32 | 0.0° | 0.2° |
| C38 | S39 | C31 | C32 | 0.1° | 0.3° |
| C38 | S39 | C31 | C29 | 179.8° | 180.0° |
| S39 | C38 | C37 | H26 | 0.1° | 0.3° |
| C33 | C32 | C31 | S39 | 0.2° | 0.3° |
| C33 | C32 | C31 | H22 | 180.0° | 179.9° |
| C33 | C32 | C31 | C29 | 179.8° | 180.0° |
| C32 | C33 | C34 | H23 | 0.1° | 0.1° |
| S39 | C31 | C32 | C29 | 179.7° | 179.7° |
| S39 | C31 | C29 | O30 | 1.0° | 179.7° |
| S39 | C31 | C29 | N28 | 178.8° | 0.4° |
| S39 | C31 | C32 | H22 | 179.9° | 179.8° |
| C32 | C31 | C29 | O30 | 179.4° | 0.0° |
| C32 | C31 | C29 | N28 | 0.8° | 180.0° |
| C31 | C29 | O30 | N28 | 179.9° | 180.0° |
| C31 | C29 | N28 | C23 | 179.9° | 174.6° |
| C31 | C29 | N28 | H21 | 0.1° | 5.4° |
| C29 | C31 | C32 | H22 | 0.2° | 0.1° |
| O27 | C26 | C25 | H18 | 120.1° | 120.1° |
| O27 | C26 | C25 | H19 | 120.0° | 120.0° |
| O27 | C26 | C25 | C24 | 173.3° | 180.0° |
| O27 | C26 | C25 | H15 | 67.0° | 60.0° |
| O27 | C26 | C25 | H17 | 53.6° | 59.9° |
| O27 | C26 | H18 | H19 | 119.8° | 120.0° |
| O30 | C29 | N28 | C23 | 0.2° | 5.3° |
| O30 | C29 | N28 | H21 | 179.8° | 174.6° |
| C29 | N28 | C23 | H21 | 180.0° | 180.0° |
| C29 | N28 | C23 | C24 | 107.5° | 156.0° |
| C29 | N28 | C23 | C22 | 72.7° | 23.5° |
| N28 | C23 | C24 | C25 | 0.7° | 0.6° |
| N28 | C23 | C24 | C22 | 179.8° | 179.4° |
| N28 | C23 | C24 | C19 | 179.7° | 180.0° |
| N28 | C23 | C22 | C21 | 179.8° | 179.7° |
| N28 | C23 | C22 | H14 | 0.3° | 0.3° |
| C26 | C25 | C24 | H15 | 119.7° | 120.0° |
| C26 | C25 | C24 | H17 | 119.7° | 120.1° |
| C26 | C25 | C24 | C23 | 82.3° | 94.7° |
| C26 | C25 | C24 | C19 | 96.7° | 85.9° |
| C26 | C25 | H15 | H17 | 120.9° | 120.0° |
| C25 | C26 | H18 | H19 | 119.9° | 119.9° |
| C25 | C26 | O27 | H20 | 180.0° | 180.0° |
| C25 | C24 | C23 | C19 | 179.0° | 179.4° |
| C25 | C24 | C23 | C22 | 179.5° | 180.0° |
| C25 | C24 | C19 | C13 | 1.2° | 0.3° |
| C25 | C24 | C19 | C20 | 179.7° | 180.0° |
| C24 | C25 | H15 | H17 | 120.9° | 120.0° |
| C24 | C25 | C26 | H18 | 53.2° | 60.0° |
| C24 | C25 | C26 | H19 | 66.7° | 59.9° |
| C24 | C23 | C22 | C21 | 0.0° | 0.3° |
| C23 | C24 | C19 | C13 | 179.9° | 179.7° |
| C23 | C24 | C19 | C20 | 0.7° | 0.6° |
| C24 | C23 | C22 | H14 | 180.0° | 179.7° |
| C23 | C24 | C25 | H15 | 158.0° | 145.3° |
| C23 | C24 | C25 | H17 | 37.4° | 25.4° |
| C24 | C23 | N28 | H21 | 72.5° | 24.0° |
| C22 | C23 | C24 | C19 | 0.5° | 0.6° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C23 | C22 | C21 | H13 | 179.7° | 180.0° |
| C22 | C23 | N28 | H21 | 107.3° | 156.6° |
| C24 | C19 | C13 | N14 | 40.8° | 114.9° |
| C24 | C19 | C13 | C20 | 179.1° | 179.7° |
| C24 | C19 | C13 | C12 | 139.0° | 65.1° |
| C24 | C19 | C20 | C21 | 0.5° | 0.3° |
| C24 | C19 | C20 | H12 | 179.5° | 179.7° |
| C19 | C24 | C25 | H15 | 23.0° | 34.0° |
| C19 | C24 | C25 | H17 | 143.6° | 154.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | H12 | 180.0° | 180.0° |
| N15 | N14 | C13 | C19 | 179.6° | 180.0° |
| N14 | N15 | C17 | H16 | 180.0° | 179.7° |
| N15 | N14 | C13 | C12 | 0.2° | 0.1° |
| N14 | N15 | C17 | O18 | 180.0° | 180.0° |
| N14 | N15 | C17 | C11 | 0.2° | 0.5° |
| N14 | C13 | C19 | C12 | 179.8° | 179.9° |
| N14 | C13 | C19 | C20 | 140.0° | 64.8° |
| C13 | N14 | N15 | C17 | 0.2° | 0.3° |
| N14 | C13 | C12 | C11 | 0.0° | 0.1° |
| N14 | C13 | C12 | H4 | 180.0° | 179.9° |
| C13 | N14 | N15 | H16 | 179.8° | 179.9° |
| C13 | C19 | C20 | C21 | 179.6° | 180.0° |
| C19 | C13 | C12 | C11 | 179.8° | 180.0° |
| C19 | C13 | C12 | H4 | 0.2° | 0.0° |
| C13 | C19 | C20 | H12 | 0.4° | 0.1° |
| C20 | C19 | C13 | C12 | 40.2° | 115.3° |
| C19 | C20 | C21 | H12 | 180.0° | 179.9° |
| C19 | C20 | C21 | H13 | 180.0° | 180.0° |
| N15 | C17 | O18 | C11 | 179.8° | 179.5° |
| N15 | C17 | C11 | C12 | 0.4° | 0.5° |
| N15 | C17 | C11 | N10 | 179.9° | 179.8° |
| C13 | C12 | C11 | C17 | 0.3° | 0.3° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| C13 | C12 | C11 | N10 | 179.8° | 180.0° |
| C20 | C21 | C22 | H14 | 179.7° | 180.0° |
| O18 | C17 | C11 | C12 | 179.8° | 180.0° |
| O18 | C17 | C11 | N10 | 0.3° | 0.3° |
| O18 | C17 | N15 | H16 | 0.0° | 0.3° |
| C17 | C11 | C12 | N10 | 179.5° | 179.7° |
| C17 | C11 | N10 | C8 | 157.8° | 58.2° |
| C17 | C11 | C12 | H4 | 179.7° | 179.7° |
| C17 | C11 | N10 | H11 | 22.2° | 121.8° |
| C11 | C17 | N15 | H16 | 179.9° | 179.8° |
| C12 | C11 | N10 | C8 | 22.7° | 122.1° |
| C12 | C11 | N10 | H11 | 157.3° | 57.9° |
| C11 | N10 | C8 | H11 | 180.0° | 180.0° |
| C11 | N10 | C8 | N9 | 20.8° | 173.8° |
| C11 | N10 | C8 | C7 | 160.2° | 6.2° |
| N10 | C11 | C12 | H4 | 0.2° | 0.0° |
| N10 | C8 | N9 | C7 | 179.1° | 180.0° |
| N10 | C8 | N9 | N5 | 179.4° | 179.9° |
| N10 | C8 | C7 | C6 | 179.5° | 180.0° |
| N10 | C8 | C7 | H3 | 0.5° | 0.0° |
| N9 | C8 | C7 | C6 | 0.3° | 0.1° |
| C8 | N9 | N5 | C4 | 179.6° | 179.8° |
| C8 | N9 | N5 | C6 | 0.1° | 0.2° |
| N9 | C8 | C7 | H3 | 179.7° | 180.0° |
| N9 | C8 | N10 | H11 | 159.1° | 6.2° |
| C7 | C8 | N9 | N5 | 0.2° | 0.1° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | N5 | 0.2° | 0.2° |
| C8 | C7 | C6 | C40 | 179.7° | 179.8° |
| C7 | C8 | N10 | H11 | 19.9° | 173.8° |
| N9 | N5 | C6 | C7 | 0.1° | 0.2° |
| N9 | N5 | C4 | C6 | 179.6° | 180.0° |
| N9 | N5 | C4 | C3 | 153.7° | 163.5° |
| N9 | N5 | C6 | C40 | 179.8° | 179.8° |
| N9 | N5 | C4 | H1 | 86.7° | 43.8° |
| N9 | N5 | C4 | H2 | 34.2° | 76.8° |
| C7 | C6 | N5 | C4 | 179.8° | 179.8° |
| C7 | C6 | N5 | C40 | 179.9° | 180.0° |
| C7 | C6 | C40 | N2 | 175.9° | 164.4° |
| C7 | C6 | C40 | H27 | 64.0° | 76.0° |
| C7 | C6 | C40 | H28 | 55.7° | 44.7° |
| N5 | C4 | C3 | H1 | 119.5° | 119.7° |
| N5 | C4 | C3 | H2 | 119.6° | 119.8° |
| C4 | N5 | C6 | C40 | 0.1° | 0.2° |
| N5 | C4 | C3 | N2 | 57.8° | 49.9° |
| N5 | C4 | H1 | H2 | 121.3° | 120.7° |
| N5 | C4 | C3 | H6 | 177.9° | 170.0° |
| N5 | C4 | C3 | H7 | 62.3° | 70.2° |
| C6 | N5 | C4 | C3 | 25.9° | 16.5° |
| N5 | C6 | C40 | N2 | 4.2° | 15.6° |
| C6 | N5 | C4 | H1 | 93.7° | 136.2° |
| C6 | N5 | C4 | H2 | 145.5° | 103.2° |
| N5 | C6 | C7 | H3 | 179.8° | 179.9° |
| N5 | C6 | C40 | H27 | 115.9° | 104.0° |
| N5 | C6 | C40 | H28 | 124.4° | 135.2° |
| C4 | C3 | N2 | H6 | 120.1° | 120.1° |
| C4 | C3 | N2 | H7 | 120.1° | 120.1° |
| C4 | C3 | N2 | C40 | 66.5° | 70.8° |
| C4 | C3 | N2 | C1 | 169.5° | 165.2° |
| C3 | C4 | H1 | H2 | 121.3° | 120.6° |
| C4 | C3 | H6 | H7 | 119.7° | 119.8° |
| C6 | C40 | N2 | C3 | 36.9° | 49.9° |
| C6 | C40 | N2 | H27 | 120.2° | 119.6° |
| C6 | C40 | N2 | H28 | 120.2° | 119.6° |
| C6 | C40 | N2 | C1 | 160.8° | 174.0° |
| C40 | C6 | C7 | H3 | 0.3° | 0.1° |
| C6 | C40 | H27 | H28 | 119.6° | 120.7° |
| C3 | N2 | C40 | C1 | 124.0° | 124.1° |
| N2 | C3 | C4 | H1 | 61.7° | 169.6° |
| N2 | C3 | C4 | H2 | 177.4° | 69.9° |
| N2 | C3 | H6 | H7 | 119.7° | 119.9° |
| C3 | N2 | C1 | H8 | 180.0° | 60.0° |
| C3 | N2 | C1 | H9 | 60.0° | 180.0° |
| C3 | N2 | C1 | H10 | 60.0° | 60.0° |
| C3 | N2 | C40 | H27 | 83.3° | 69.7° |
| C3 | N2 | C40 | H28 | 157.0° | 169.6° |
| C40 | N2 | C3 | H6 | 173.4° | 169.1° |
| C40 | N2 | C3 | H7 | 53.5° | 49.3° |
| C40 | N2 | C1 | H8 | 55.0° | 64.1° |
| C40 | N2 | C1 | H9 | 175.0° | 55.8° |
| C40 | N2 | C1 | H10 | 65.0° | 175.9° |
| N2 | C40 | H27 | H28 | 119.5° | 120.7° |
| C1 | N2 | C3 | H6 | 49.4° | 45.1° |
| C1 | N2 | C3 | H7 | 70.5° | 74.7° |
| N2 | C1 | H8 | H9 | 120.0° | 120.0° |
| N2 | C1 | H8 | H10 | 120.0° | 120.0° |
| N2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C1 | N2 | C40 | H27 | 40.7° | 54.4° |
| C1 | N2 | C40 | H28 | 79.0° | 66.4° |
| H1 | C4 | C3 | H6 | 58.4° | 70.3° |
| H1 | C4 | C3 | H7 | 178.2° | 49.5° |
| H2 | C4 | C3 | H6 | 62.5° | 50.3° |
| H2 | C4 | C3 | H7 | 57.3° | 170.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H12 | C20 | C21 | H13 | 0.0° | 0.0° |
| H13 | C21 | C22 | H14 | 0.3° | 0.0° |
| H15 | C25 | C26 | H18 | 172.9° | 180.0° |
| H15 | C25 | C26 | H19 | 53.0° | 60.1° |
| H17 | C25 | C26 | H18 | 66.5° | 60.1° |
| H17 | C25 | C26 | H19 | 173.6° | 180.0° |
| H18 | C26 | O27 | H20 | 60.0° | 60.0° |
| H19 | C26 | O27 | H20 | 59.9° | 60.0° |
| H23 | C34 | C35 | H24 | 0.0° | 0.1° |
| H24 | C35 | C36 | H25 | 0.0° | 0.0° |
| H25 | C36 | C37 | H26 | 0.0° | 0.0° |
