DVD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C39 | sing | 1.47Å | 1.49Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| C39 | C6 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C6 | N5 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.34Å | 1.33Å | Aromatic |
| C4 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | N9 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| N9 | C8 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | N10 | sing | 1.40Å | 1.37Å | |
| N10 | C11 | sing | 1.39Å | 1.38Å | |
| C11 | C12 | doub | 1.37Å | 1.39Å | |
| C11 | C17 | sing | 1.42Å | 1.41Å | |
| C12 | C13 | sing | 1.41Å | 1.42Å | |
| O18 | C17 | doub | 1.22Å | 1.25Å | |
| C17 | N15 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.48Å | 1.48Å | |
| C13 | N14 | doub | 1.31Å | 1.32Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| N15 | N14 | sing | 1.40Å | 1.38Å | |
| C19 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C23 | N27 | sing | 1.40Å | 1.41Å | |
| C25 | O26 | sing | 1.43Å | 1.43Å | |
| N27 | C28 | sing | 1.35Å | 1.35Å | |
| O29 | C28 | doub | 1.22Å | 1.23Å | |
| C28 | C30 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | doub | 1.34Å | 1.36Å | Aromatic |
| C30 | S38 | sing | 1.76Å | 1.76Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| S38 | C37 | sing | 1.76Å | 1.75Å | Aromatic |
| C32 | C37 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.42Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.36Å | 1.36Å | Aromatic |
| C36 | C35 | doub | 1.37Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| 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 | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C39 | H23 | sing | 1.09Å | 1.10Å | |
| N10 | H24 | sing | 0.97Å | 1.00Å | |
| N15 | H16 | sing | 0.97Å | 1.00Å | |
| N27 | H25 | sing | 0.97Å | 1.00Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C39 | 109.5° | 111.0° |
| C1 | N2 | C3 | 111.3° | 111.0° |
| N2 | C1 | H8 | 109.5° | 109.4° |
| N2 | C1 | H9 | 109.5° | 109.5° |
| N2 | C1 | H10 | 109.5° | 109.5° |
| C39 | N2 | C3 | 113.3° | 111.1° |
| N2 | C39 | C6 | 110.0° | 108.1° |
| N2 | C39 | H22 | 109.4° | 109.8° |
| N2 | C39 | H23 | 109.4° | 109.7° |
| N2 | C3 | C4 | 111.2° | 109.7° |
| N2 | C3 | H6 | 109.0° | 109.4° |
| N2 | C3 | H7 | 109.0° | 109.5° |
| C39 | C6 | N5 | 123.5° | 123.6° |
| C39 | C6 | C7 | 128.1° | 128.4° |
| C6 | C39 | H22 | 109.4° | 109.8° |
| C6 | C39 | H23 | 109.3° | 109.7° |
| C3 | C4 | N5 | 106.4° | 108.3° |
| C3 | C4 | H1 | 110.2° | 109.7° |
| C3 | C4 | H2 | 110.2° | 109.7° |
| C4 | C3 | H6 | 109.0° | 109.4° |
| C4 | C3 | H7 | 109.0° | 109.4° |
| N5 | C6 | C7 | 108.3° | 108.0° |
| C6 | N5 | C4 | 125.0° | 123.5° |
| C6 | N5 | N9 | 109.4° | 108.1° |
| C6 | C7 | C8 | 106.4° | 107.8° |
| C6 | C7 | H3 | 126.8° | 126.2° |
| C4 | N5 | N9 | 125.6° | 128.4° |
| N5 | C4 | H1 | 110.2° | 109.8° |
| N5 | C4 | H2 | 110.3° | 109.8° |
| N5 | N9 | C8 | 106.3° | 108.1° |
| C7 | C8 | N9 | 109.6° | 108.1° |
| C7 | C8 | N10 | 125.3° | 126.0° |
| C8 | C7 | H3 | 126.8° | 126.1° |
| N9 | C8 | N10 | 125.1° | 125.9° |
| C8 | N10 | C11 | 125.9° | 120.0° |
| C8 | N10 | H24 | 117.0° | 120.0° |
| N10 | C11 | C12 | 124.9° | 120.4° |
| N10 | C11 | C17 | 114.2° | 120.4° |
| C11 | N10 | H24 | 117.1° | 120.0° |
| C12 | C11 | C17 | 120.9° | 119.2° |
| C11 | C12 | C13 | 116.4° | 119.6° |
| C11 | C12 | H4 | 121.8° | 120.2° |
| C11 | C17 | O18 | 120.8° | 120.2° |
| C11 | C17 | N15 | 119.6° | 119.5° |
| C12 | C13 | C19 | 122.9° | 119.7° |
| C12 | C13 | N14 | 121.4° | 120.6° |
| C13 | C12 | H4 | 121.8° | 120.2° |
| O18 | C17 | N15 | 119.6° | 120.3° |
| C17 | N15 | N14 | 120.4° | 120.3° |
| C17 | N15 | H16 | 119.8° | 119.8° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C20 | C21 | C22 | 118.8° | 120.2° |
| C21 | C20 | H11 | 119.9° | 120.0° |
| C20 | C21 | H12 | 120.6° | 119.9° |
| C20 | C19 | C13 | 118.6° | 120.0° |
| C20 | C19 | C24 | 121.2° | 119.8° |
| C19 | C20 | H11 | 119.9° | 120.0° |
| C19 | C13 | N14 | 115.7° | 119.8° |
| C13 | C19 | C24 | 120.1° | 120.1° |
| C13 | N14 | N15 | 121.3° | 120.9° |
| C21 | C22 | C23 | 122.3° | 120.2° |
| C22 | C21 | H12 | 120.6° | 119.9° |
| C21 | C22 | H13 | 118.9° | 119.9° |
| N14 | N15 | H16 | 119.8° | 119.9° |
| C19 | C24 | C23 | 117.8° | 119.9° |
| C19 | C24 | C25 | 121.6° | 120.1° |
| C22 | C23 | C24 | 119.7° | 119.9° |
| C22 | C23 | N27 | 121.7° | 120.0° |
| C23 | C22 | H13 | 118.9° | 119.9° |
| C23 | C24 | C25 | 120.5° | 120.1° |
| C24 | C23 | N27 | 118.5° | 120.1° |
| C24 | C25 | O26 | 116.3° | 109.4° |
| C24 | C25 | H14 | 107.7° | 109.5° |
| C24 | C25 | H15 | 107.7° | 109.5° |
| C23 | N27 | C28 | 123.2° | 120.0° |
| C23 | N27 | H25 | 118.4° | 120.0° |
| O26 | C25 | H14 | 107.7° | 109.5° |
| O26 | C25 | H15 | 107.8° | 109.4° |
| C25 | O26 | H26 | 109.5° | 114.0° |
| N27 | C28 | O29 | 120.4° | 120.0° |
| N27 | C28 | C30 | 122.3° | 120.0° |
| C28 | N27 | H25 | 118.4° | 120.0° |
| O29 | C28 | C30 | 117.2° | 120.0° |
| C28 | C30 | C31 | 129.4° | 124.7° |
| C28 | C30 | S38 | 119.6° | 124.6° |
| C31 | C30 | S38 | 110.9° | 110.7° |
| C30 | C31 | C32 | 113.9° | 115.6° |
| C30 | C31 | H17 | 123.1° | 122.2° |
| C30 | S38 | C37 | 92.4° | 91.6° |
| C31 | C32 | C37 | 113.5° | 112.6° |
| C31 | C32 | C33 | 129.8° | 128.8° |
| C32 | C31 | H17 | 123.0° | 122.2° |
| S38 | C37 | C32 | 109.3° | 109.6° |
| S38 | C37 | C36 | 128.8° | 130.6° |
| C37 | C32 | C33 | 116.7° | 118.6° |
| C32 | C37 | C36 | 121.9° | 119.9° |
| C32 | C33 | C34 | 120.9° | 120.5° |
| C32 | C33 | H18 | 119.6° | 119.8° |
| C37 | C36 | C35 | 119.2° | 120.2° |
| C37 | C36 | H21 | 120.4° | 119.9° |
| C33 | C34 | C35 | 121.4° | 120.7° |
| C34 | C33 | H18 | 119.5° | 119.7° |
| C33 | C34 | H19 | 119.3° | 119.6° |
| C36 | C35 | C34 | 119.9° | 120.1° |
| C36 | C35 | H20 | 120.1° | 119.9° |
| C35 | C36 | H21 | 120.4° | 119.9° |
| C35 | C34 | H19 | 119.3° | 119.6° |
| C34 | C35 | H20 | 120.0° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H6 | C3 | H7 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H22 | C39 | H23 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C39 | C3 | 124.9° | 124.0° |
| C1 | N2 | C39 | C6 | 164.0° | 174.0° |
| C1 | N2 | C3 | C4 | 171.3° | 165.2° |
| C1 | N2 | C3 | H6 | 68.4° | 45.1° |
| C1 | N2 | C3 | H7 | 51.1° | 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 | C39 | H22 | 75.9° | 54.3° |
| C1 | N2 | C39 | H23 | 43.9° | 66.4° |
| N2 | C39 | C6 | H22 | 120.1° | 119.7° |
| N2 | C39 | C6 | H23 | 120.1° | 119.6° |
| C39 | N2 | C3 | C4 | 64.8° | 70.8° |
| N2 | C39 | C6 | N5 | 8.4° | 15.7° |
| N2 | C39 | C6 | C7 | 173.5° | 164.3° |
| C39 | N2 | C3 | H6 | 55.5° | 169.1° |
| C39 | N2 | C3 | H7 | 174.9° | 49.2° |
| C39 | N2 | C1 | H8 | 180.0° | 56.1° |
| C39 | N2 | C1 | H9 | 60.0° | 176.1° |
| C39 | N2 | C1 | H10 | 60.0° | 63.9° |
| N2 | C39 | H22 | H23 | 119.8° | 120.7° |
| C3 | N2 | C39 | C6 | 39.1° | 50.0° |
| N2 | C3 | C4 | H6 | 120.3° | 120.1° |
| N2 | C3 | C4 | H7 | 120.3° | 120.1° |
| N2 | C3 | C4 | N5 | 53.2° | 49.9° |
| N2 | C3 | C4 | H1 | 172.7° | 169.6° |
| N2 | C3 | C4 | H2 | 66.3° | 69.9° |
| N2 | C3 | H6 | H7 | 119.2° | 119.9° |
| C3 | N2 | C1 | H8 | 54.0° | 179.9° |
| C3 | N2 | C1 | H9 | 66.0° | 59.9° |
| C3 | N2 | C1 | H10 | 174.0° | 60.2° |
| C3 | N2 | C39 | H22 | 159.2° | 69.7° |
| C3 | N2 | C39 | H23 | 81.0° | 169.6° |
| C39 | C6 | N5 | C7 | 178.5° | 179.9° |
| C39 | C6 | N5 | C4 | 2.2° | 0.3° |
| C39 | C6 | N5 | N9 | 178.8° | 179.8° |
| C39 | C6 | C7 | C8 | 178.6° | 179.8° |
| C39 | C6 | C7 | H3 | 1.4° | 0.1° |
| C6 | C39 | H22 | H23 | 119.7° | 120.7° |
| C3 | C4 | N5 | C6 | 23.7° | 16.5° |
| C3 | C4 | N5 | H1 | 119.5° | 119.7° |
| C3 | C4 | N5 | H2 | 119.5° | 119.7° |
| C3 | C4 | N5 | N9 | 157.4° | 163.5° |
| C3 | C4 | H1 | H2 | 121.4° | 120.5° |
| C4 | C3 | H6 | H7 | 119.2° | 119.8° |
| C6 | N5 | C4 | N9 | 178.9° | 179.9° |
| N5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | N5 | N9 | C8 | 0.3° | 0.1° |
| C6 | N5 | C4 | H1 | 143.2° | 136.2° |
| C6 | N5 | C4 | H2 | 95.8° | 103.2° |
| N5 | C6 | C7 | H3 | 179.8° | 179.9° |
| N5 | C6 | C39 | H22 | 128.5° | 104.0° |
| N5 | C6 | C39 | H23 | 111.7° | 135.3° |
| C7 | C6 | N5 | C4 | 179.4° | 179.8° |
| C7 | C6 | N5 | N9 | 0.4° | 0.2° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | N9 | 0.1° | 0.0° |
| C6 | C7 | C8 | N10 | 179.5° | 179.9° |
| C7 | C6 | C39 | H22 | 53.4° | 76.0° |
| C7 | C6 | C39 | H23 | 66.4° | 44.7° |
| C4 | N5 | N9 | C8 | 179.3° | 179.8° |
| N5 | C4 | H1 | H2 | 121.5° | 120.7° |
| N5 | C4 | C3 | H6 | 67.1° | 169.9° |
| N5 | C4 | C3 | H7 | 173.5° | 70.2° |
| N5 | N9 | C8 | C7 | 0.2° | 0.1° |
| N5 | N9 | C8 | N10 | 179.7° | 180.0° |
| N9 | N5 | C4 | H1 | 37.9° | 43.8° |
| N9 | N5 | C4 | H2 | 83.1° | 76.8° |
| C7 | C8 | N9 | N10 | 179.6° | 180.0° |
| C7 | C8 | N10 | C11 | 163.1° | 4.4° |
| C7 | C8 | N10 | H24 | 16.9° | 175.6° |
| N9 | C8 | N10 | C11 | 17.4° | 175.7° |
| N9 | C8 | C7 | H3 | 180.0° | 180.0° |
| N9 | C8 | N10 | H24 | 162.6° | 4.4° |
| C8 | N10 | C11 | H24 | 180.0° | 180.0° |
| C8 | N10 | C11 | C12 | 15.0° | 120.1° |
| C8 | N10 | C11 | C17 | 164.1° | 60.2° |
| N10 | C8 | C7 | H3 | 0.4° | 0.0° |
| N10 | C11 | C12 | C17 | 179.0° | 179.8° |
| N10 | C11 | C12 | C13 | 179.2° | 179.7° |
| N10 | C11 | C17 | O18 | 0.6° | 0.2° |
| N10 | C11 | C17 | N15 | 179.5° | 179.7° |
| N10 | C11 | C12 | H4 | 0.8° | 0.3° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C12 | C11 | C17 | O18 | 179.7° | 180.0° |
| C12 | C11 | C17 | N15 | 0.4° | 0.0° |
| C11 | C12 | C13 | C19 | 179.3° | 180.0° |
| C11 | C12 | C13 | N14 | 0.3° | 0.0° |
| C12 | C11 | N10 | H24 | 165.0° | 60.0° |
| C17 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C17 | O18 | N15 | 180.0° | 180.0° |
| C11 | C17 | N15 | N14 | 0.5° | 0.0° |
| C17 | C11 | C12 | H4 | 179.8° | 180.0° |
| C17 | C11 | N10 | H24 | 16.0° | 119.8° |
| C11 | C17 | N15 | H16 | 179.5° | 180.0° |
| C12 | C13 | C19 | C20 | 49.2° | 114.8° |
| C12 | C13 | C19 | N14 | 179.1° | 180.0° |
| C12 | C13 | N14 | N15 | 0.4° | 0.1° |
| C12 | C13 | C19 | C24 | 132.2° | 65.5° |
| O18 | C17 | N15 | N14 | 179.5° | 180.0° |
| O18 | C17 | N15 | H16 | 0.5° | 0.0° |
| C17 | N15 | N14 | C13 | 0.6° | 0.1° |
| C17 | N15 | N14 | H16 | 180.0° | 180.0° |
| C21 | C20 | C19 | H11 | 180.0° | 180.0° |
| C21 | C20 | C19 | C13 | 179.8° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 179.9° |
| C21 | C20 | C19 | C24 | 1.6° | 0.3° |
| C20 | C21 | C22 | C23 | 0.4° | 0.1° |
| C20 | C21 | C22 | H13 | 179.6° | 180.0° |
| C20 | C19 | C13 | C24 | 178.6° | 179.7° |
| C20 | C19 | C13 | N14 | 129.9° | 65.2° |
| C19 | C20 | C21 | C22 | 1.1° | 0.0° |
| C20 | C19 | C24 | C23 | 1.3° | 0.6° |
| C20 | C19 | C24 | C25 | 177.7° | 179.7° |
| C19 | C20 | C21 | H12 | 178.8° | 180.0° |
| C19 | C13 | N14 | N15 | 179.5° | 180.0° |
| C13 | C19 | C24 | C23 | 179.9° | 179.7° |
| C13 | C19 | C24 | C25 | 3.8° | 0.0° |
| C19 | C13 | C12 | H4 | 0.7° | 0.0° |
| C13 | C19 | C20 | H11 | 0.2° | 0.0° |
| N14 | C13 | C19 | C24 | 48.7° | 114.5° |
| N14 | C13 | C12 | H4 | 179.7° | 180.0° |
| C13 | N14 | N15 | H16 | 179.5° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C21 | C22 | C23 | N27 | 179.0° | 180.0° |
| C22 | C21 | C20 | H11 | 178.9° | 179.9° |
| C19 | C24 | C23 | C22 | 0.6° | 0.6° |
| C19 | C24 | C23 | C25 | 176.4° | 179.7° |
| C19 | C24 | C23 | N27 | 178.5° | 179.7° |
| C19 | C24 | C25 | O26 | 113.0° | 95.1° |
| C24 | C19 | C20 | H11 | 178.4° | 179.7° |
| C19 | C24 | C25 | H14 | 126.0° | 144.9° |
| C19 | C24 | C25 | H15 | 8.0° | 24.9° |
| C22 | C23 | C24 | N27 | 179.1° | 179.7° |
| C22 | C23 | C24 | C25 | 177.0° | 179.7° |
| C22 | C23 | N27 | C28 | 72.8° | 24.3° |
| C23 | C22 | C21 | H12 | 179.6° | 180.0° |
| C22 | C23 | N27 | H25 | 107.2° | 155.6° |
| C23 | C24 | C25 | O26 | 70.7° | 84.7° |
| C24 | C23 | N27 | C28 | 108.1° | 155.4° |
| C24 | C23 | C22 | H13 | 179.9° | 179.7° |
| C23 | C24 | C25 | H14 | 50.3° | 35.3° |
| C23 | C24 | C25 | H15 | 168.3° | 155.4° |
| C24 | C23 | N27 | H25 | 71.9° | 24.7° |
| C25 | C24 | C23 | N27 | 2.1° | 0.0° |
| C24 | C25 | O26 | H14 | 121.0° | 120.0° |
| C24 | C25 | O26 | H15 | 121.0° | 120.0° |
| C24 | C25 | H14 | H15 | 116.9° | 120.0° |
| C24 | C25 | O26 | H26 | 180.0° | 180.0° |
| C23 | N27 | C28 | H25 | 180.0° | 179.9° |
| C23 | N27 | C28 | O29 | 0.4° | 5.3° |
| C23 | N27 | C28 | C30 | 178.6° | 174.8° |
| N27 | C23 | C22 | H13 | 1.0° | 0.0° |
| O26 | C25 | H14 | H15 | 116.9° | 120.0° |
| N27 | C28 | O29 | C30 | 178.2° | 180.0° |
| N27 | C28 | C30 | C31 | 8.4° | 180.0° |
| N27 | C28 | C30 | S38 | 175.6° | 0.3° |
| O29 | C28 | C30 | C31 | 169.8° | 0.0° |
| O29 | C28 | C30 | S38 | 6.2° | 179.7° |
| O29 | C28 | N27 | H25 | 179.6° | 174.8° |
| C28 | C30 | C31 | S38 | 176.3° | 179.7° |
| C28 | C30 | C31 | C32 | 178.3° | 180.0° |
| C28 | C30 | S38 | C37 | 178.3° | 180.0° |
| C28 | C30 | C31 | H17 | 1.7° | 0.0° |
| C30 | C28 | N27 | H25 | 1.5° | 5.2° |
| C30 | C31 | C32 | H17 | 180.0° | 180.0° |
| C31 | C30 | S38 | C37 | 1.6° | 0.3° |
| C30 | C31 | C32 | C37 | 1.3° | 0.0° |
| C30 | C31 | C32 | C33 | 178.9° | 180.0° |
| S38 | C30 | C31 | C32 | 1.9° | 0.2° |
| C30 | S38 | C37 | C32 | 0.8° | 0.3° |
| C30 | S38 | C37 | C36 | 178.9° | 179.9° |
| S38 | C30 | C31 | H17 | 178.1° | 179.8° |
| C31 | C32 | C37 | S38 | 0.1° | 0.3° |
| C31 | C32 | C37 | C33 | 179.8° | 179.9° |
| C31 | C32 | C37 | C36 | 179.8° | 179.9° |
| C31 | C32 | C33 | C34 | 179.9° | 179.9° |
| C31 | C32 | C33 | H18 | 0.1° | 0.0° |
| S38 | C37 | C32 | C36 | 179.7° | 179.8° |
| S38 | C37 | C32 | C33 | 179.9° | 179.8° |
| S38 | C37 | C36 | C35 | 179.8° | 179.7° |
| S38 | C37 | C36 | H21 | 0.2° | 0.2° |
| C37 | C32 | C33 | C34 | 0.4° | 0.0° |
| C32 | C37 | C36 | C35 | 0.2° | 0.1° |
| C37 | C32 | C31 | H17 | 178.6° | 180.0° |
| C37 | C32 | C33 | H18 | 179.6° | 180.0° |
| C32 | C37 | C36 | H21 | 179.8° | 180.0° |
| C33 | C32 | C37 | C36 | 0.4° | 0.0° |
| C32 | C33 | C34 | H18 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.0° |
| C33 | C32 | C31 | H17 | 1.1° | 0.0° |
| C32 | C33 | C34 | H19 | 179.8° | 180.0° |
| C37 | C36 | C35 | H21 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.1° | 0.1° |
| C37 | C36 | C35 | H20 | 179.9° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H19 | 180.0° | 180.0° |
| C33 | C34 | C35 | H20 | 179.9° | 180.0° |
| C36 | C35 | C34 | H20 | 180.0° | 180.0° |
| C36 | C35 | C34 | H19 | 179.9° | 180.0° |
| C35 | C34 | C33 | H18 | 179.8° | 180.0° |
| C34 | C35 | C36 | H21 | 179.9° | 180.0° |
| H1 | C4 | C3 | H6 | 52.4° | 70.3° |
| H1 | C4 | C3 | H7 | 67.0° | 49.5° |
| H2 | C4 | C3 | H6 | 173.4° | 50.2° |
| H2 | C4 | C3 | H7 | 53.9° | 170.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H11 | C20 | C21 | H12 | 1.2° | 0.0° |
| H12 | C21 | C22 | H13 | 0.4° | 0.0° |
| H14 | C25 | O26 | H26 | 59.0° | 59.9° |
| H15 | C25 | O26 | H26 | 59.1° | 60.0° |
| H18 | C33 | C34 | H19 | 0.2° | 0.1° |
| H19 | C34 | C35 | H20 | 0.1° | 0.0° |
| H20 | C35 | C36 | H21 | 0.1° | 0.0° |
