EO5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S2 | sing | 1.81Å | 1.80Å | |
| C29 | C28 | doub | 1.36Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.35Å | 1.34Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| O3 | S2 | doub | 1.42Å | 1.43Å | |
| S2 | O4 | doub | 1.42Å | 1.42Å | |
| S2 | N5 | sing | 1.66Å | 1.61Å | |
| C30 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| N27 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N27 | N26 | sing | 1.40Å | 1.40Å | |
| C32 | C33 | sing | 1.46Å | 1.46Å | |
| N5 | C6 | sing | 1.40Å | 1.38Å | |
| C12 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.36Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.37Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.36Å | Aromatic |
| C14 | N15 | sing | 1.37Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.48Å | 1.47Å | |
| N26 | C25 | doub | 1.29Å | 1.30Å | |
| N15 | C16 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | C42 | sing | 1.47Å | 1.48Å | Aromatic |
| C33 | O34 | doub | 1.22Å | 1.22Å | |
| C33 | N35 | sing | 1.35Å | 1.36Å | |
| C16 | C42 | doub | 1.41Å | 1.41Å | Aromatic |
| C16 | N17 | sing | 1.33Å | 1.33Å | Aromatic |
| C42 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| N17 | C18 | doub | 1.32Å | 1.31Å | Aromatic |
| C25 | N35 | sing | 1.37Å | 1.39Å | |
| C25 | C22 | sing | 1.51Å | 1.50Å | |
| C20 | N21 | sing | 1.38Å | 1.38Å | |
| C20 | N19 | doub | 1.33Å | 1.33Å | Aromatic |
| N35 | C36 | sing | 1.40Å | 1.40Å | |
| N21 | C22 | sing | 1.47Å | 1.45Å | |
| C18 | N19 | sing | 1.32Å | 1.32Å | Aromatic |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C36 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.08Å | 1.08Å | |
| C38 | H14 | sing | 1.08Å | 1.08Å | |
| C39 | H15 | sing | 1.08Å | 1.08Å | |
| C40 | H16 | sing | 1.08Å | 1.08Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| O11 | H19 | sing | 0.97Å | 0.95Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| N15 | H21 | sing | 0.97Å | 1.00Å | |
| N21 | H22 | sing | 0.97Å | 1.00Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C41 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S2 | O3 | 115.5° | 110.5° |
| C1 | S2 | O4 | 111.5° | 110.6° |
| C1 | S2 | N5 | 99.4° | 104.5° |
| S2 | C1 | H1 | 109.5° | 109.5° |
| S2 | C1 | H2 | 109.4° | 109.5° |
| S2 | C1 | H3 | 109.5° | 109.4° |
| C28 | C29 | C30 | 108.6° | 107.9° |
| C29 | C28 | N27 | 108.8° | 109.2° |
| C29 | C28 | H24 | 125.6° | 125.4° |
| C28 | C29 | H25 | 125.7° | 126.1° |
| C29 | C30 | C31 | 126.8° | 126.6° |
| C29 | C30 | C32 | 106.1° | 106.8° |
| C30 | C29 | H25 | 125.7° | 126.0° |
| C28 | N27 | C32 | 108.2° | 108.3° |
| C28 | N27 | N26 | 131.9° | 132.8° |
| N27 | C28 | H24 | 125.6° | 125.4° |
| C31 | C30 | C32 | 127.0° | 126.6° |
| C30 | C31 | H10 | 109.5° | 109.5° |
| C30 | C31 | H11 | 109.5° | 109.5° |
| C30 | C31 | H12 | 109.5° | 109.5° |
| O3 | S2 | O4 | 123.2° | 121.0° |
| O3 | S2 | N5 | 100.7° | 104.3° |
| O4 | S2 | N5 | 101.4° | 104.3° |
| S2 | N5 | C6 | 125.6° | 120.0° |
| S2 | N5 | H17 | 105.3° | 120.0° |
| C30 | C32 | N27 | 108.2° | 107.8° |
| C30 | C32 | C33 | 133.6° | 133.7° |
| C32 | N27 | N26 | 119.9° | 118.9° |
| N27 | C32 | C33 | 118.2° | 118.5° |
| N27 | N26 | C25 | 121.0° | 121.4° |
| C32 | C33 | O34 | 120.5° | 120.9° |
| C32 | C33 | N35 | 117.9° | 118.2° |
| N5 | C6 | C12 | 128.7° | 120.0° |
| N5 | C6 | C7 | 110.2° | 120.0° |
| C6 | N5 | H17 | 105.3° | 120.0° |
| C6 | C12 | C10 | 118.4° | 120.1° |
| C12 | C6 | C7 | 121.0° | 120.1° |
| C6 | C12 | H5 | 120.8° | 120.0° |
| C12 | C10 | O11 | 122.4° | 119.9° |
| C12 | C10 | C9 | 119.5° | 120.1° |
| C10 | C12 | H5 | 120.8° | 119.9° |
| C6 | C7 | C8 | 121.2° | 119.9° |
| C6 | C7 | H4 | 119.4° | 120.1° |
| O11 | C10 | C9 | 118.1° | 120.0° |
| C10 | O11 | H19 | 109.5° | 114.0° |
| C10 | C9 | C8 | 120.7° | 120.0° |
| C10 | C9 | H18 | 119.7° | 120.0° |
| C7 | C8 | C9 | 119.2° | 119.9° |
| C7 | C8 | C13 | 116.8° | 120.1° |
| C8 | C7 | H4 | 119.4° | 120.1° |
| N15 | C14 | C13 | 109.6° | 109.7° |
| C14 | N15 | C16 | 110.5° | 110.3° |
| N15 | C14 | H20 | 125.2° | 125.1° |
| C14 | N15 | H21 | 124.8° | 124.8° |
| C14 | C13 | C8 | 123.6° | 126.8° |
| C14 | C13 | C42 | 107.1° | 106.5° |
| C13 | C14 | H20 | 125.2° | 125.2° |
| C9 | C8 | C13 | 123.8° | 120.1° |
| C8 | C9 | H18 | 119.7° | 120.0° |
| C8 | C13 | C42 | 129.3° | 126.8° |
| N26 | C25 | N35 | 122.1° | 122.6° |
| N26 | C25 | C22 | 115.7° | 118.7° |
| N15 | C16 | C42 | 108.3° | 107.4° |
| N15 | C16 | N17 | 131.5° | 134.1° |
| C16 | N15 | H21 | 124.7° | 124.9° |
| C13 | C42 | C16 | 104.5° | 106.2° |
| C13 | C42 | C20 | 138.5° | 135.1° |
| O34 | C33 | N35 | 121.6° | 120.9° |
| C33 | N35 | C25 | 120.9° | 120.4° |
| C33 | N35 | C36 | 117.4° | 119.8° |
| C42 | C16 | N17 | 120.2° | 118.5° |
| C16 | C42 | C20 | 117.0° | 118.7° |
| C16 | N17 | C18 | 120.5° | 120.7° |
| C42 | C20 | N21 | 123.5° | 120.8° |
| C42 | C20 | N19 | 118.0° | 118.3° |
| N17 | C18 | N19 | 121.8° | 122.6° |
| N17 | C18 | H6 | 119.1° | 118.7° |
| N35 | C25 | C22 | 122.1° | 118.7° |
| C25 | N35 | C36 | 121.7° | 119.7° |
| C25 | C22 | N21 | 111.3° | 109.5° |
| C25 | C22 | C24 | 107.2° | 109.5° |
| C25 | C22 | H23 | 110.2° | 109.5° |
| N21 | C20 | N19 | 118.5° | 120.9° |
| C20 | N21 | C22 | 123.8° | 120.0° |
| C20 | N21 | H22 | 105.8° | 120.1° |
| C20 | N19 | C18 | 122.5° | 121.1° |
| N35 | C36 | C41 | 119.4° | 120.0° |
| N35 | C36 | C37 | 119.8° | 120.1° |
| N21 | C22 | C24 | 107.5° | 109.5° |
| C22 | N21 | H22 | 105.8° | 119.9° |
| N21 | C22 | H23 | 110.8° | 109.5° |
| N19 | C18 | H6 | 119.1° | 118.7° |
| C22 | C24 | H7 | 109.5° | 109.5° |
| C22 | C24 | H8 | 109.5° | 109.5° |
| C22 | C24 | H9 | 109.5° | 109.5° |
| C24 | C22 | H23 | 109.7° | 109.5° |
| C41 | C36 | C37 | 120.8° | 119.8° |
| C36 | C41 | C40 | 119.8° | 119.9° |
| C36 | C41 | H26 | 120.1° | 120.0° |
| C36 | C37 | C38 | 119.1° | 120.0° |
| C36 | C37 | H13 | 120.5° | 120.0° |
| C41 | C40 | C39 | 119.4° | 120.1° |
| C41 | C40 | H16 | 120.3° | 119.9° |
| C40 | C41 | H26 | 120.1° | 120.1° |
| C37 | C38 | C39 | 120.0° | 120.1° |
| C38 | C37 | H13 | 120.4° | 120.0° |
| C37 | C38 | H14 | 120.0° | 120.0° |
| C40 | C39 | C38 | 120.9° | 120.1° |
| C40 | C39 | H15 | 119.6° | 120.0° |
| C39 | C40 | H16 | 120.3° | 120.0° |
| C39 | C38 | H14 | 120.0° | 119.9° |
| C38 | C39 | H15 | 119.6° | 119.9° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.4° | 109.4° |
| H7 | C24 | H9 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.4° | 109.5° |
| H10 | C31 | H12 | 109.5° | 109.5° |
| H11 | C31 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | S2 | O3 | O4 | 142.8° | 131.5° |
| C1 | S2 | O3 | N5 | 105.9° | 111.8° |
| C1 | S2 | O4 | N5 | 104.9° | 111.8° |
| C1 | S2 | N5 | C6 | 57.8° | 60.8° |
| S2 | C1 | H1 | H2 | 120.0° | 120.1° |
| S2 | C1 | H1 | H3 | 120.0° | 120.0° |
| S2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | S2 | N5 | H17 | 180.0° | 119.3° |
| C28 | C29 | C30 | H25 | 180.0° | 179.7° |
| C29 | C28 | N27 | H24 | 180.0° | 179.8° |
| C28 | C29 | C30 | C31 | 179.9° | 179.9° |
| C28 | C29 | C30 | C32 | 0.2° | 0.4° |
| C29 | C28 | N27 | C32 | 1.0° | 0.2° |
| C29 | C28 | N27 | N26 | 178.9° | 179.8° |
| C30 | C29 | C28 | N27 | 0.4° | 0.4° |
| C29 | C30 | C31 | C32 | 179.6° | 179.6° |
| C29 | C30 | C32 | N27 | 0.8° | 0.3° |
| C29 | C30 | C32 | C33 | 179.7° | 179.7° |
| C29 | C30 | C31 | H10 | 90.2° | 90.4° |
| C29 | C30 | C31 | H11 | 149.8° | 29.6° |
| C29 | C30 | C31 | H12 | 29.8° | 149.7° |
| C30 | C29 | C28 | H24 | 179.5° | 179.8° |
| C28 | N27 | C32 | C30 | 1.1° | 0.0° |
| C28 | N27 | C32 | N26 | 178.2° | 180.0° |
| C28 | N27 | C32 | C33 | 179.8° | 179.9° |
| C28 | N27 | N26 | C25 | 179.6° | 180.0° |
| N27 | C28 | C29 | H25 | 179.6° | 179.9° |
| C31 | C30 | C32 | N27 | 179.5° | 179.9° |
| C31 | C30 | C32 | C33 | 0.6° | 0.0° |
| C30 | C31 | H10 | H11 | 120.0° | 120.0° |
| C30 | C31 | H10 | H12 | 120.0° | 120.0° |
| C30 | C31 | H11 | H12 | 120.0° | 120.0° |
| C31 | C30 | C29 | H25 | 0.0° | 0.3° |
| O3 | S2 | O4 | N5 | 111.0° | 116.8° |
| O3 | S2 | N5 | C6 | 60.5° | 176.9° |
| O3 | S2 | C1 | H1 | 180.0° | 73.3° |
| O3 | S2 | C1 | H2 | 60.0° | 46.8° |
| O3 | S2 | C1 | H3 | 60.0° | 166.8° |
| O3 | S2 | N5 | H17 | 61.7° | 3.2° |
| O4 | S2 | N5 | C6 | 172.1° | 55.3° |
| O4 | S2 | C1 | H1 | 32.9° | 63.5° |
| O4 | S2 | C1 | H2 | 87.1° | 176.5° |
| O4 | S2 | C1 | H3 | 152.9° | 56.5° |
| O4 | S2 | N5 | H17 | 65.7° | 124.6° |
| S2 | N5 | C6 | H17 | 122.2° | 180.0° |
| S2 | N5 | C6 | C12 | 62.6° | 45.5° |
| S2 | N5 | C6 | C7 | 121.5° | 134.6° |
| N5 | S2 | C1 | H1 | 73.3° | 175.1° |
| N5 | S2 | C1 | H2 | 166.7° | 64.8° |
| N5 | S2 | C1 | H3 | 46.7° | 55.1° |
| C30 | C32 | N27 | C33 | 179.1° | 180.0° |
| C30 | C32 | N27 | N26 | 179.3° | 180.0° |
| C30 | C32 | C33 | O34 | 0.5° | 0.0° |
| C30 | C32 | C33 | N35 | 178.9° | 179.9° |
| C32 | C30 | C31 | H10 | 90.2° | 90.0° |
| C32 | C30 | C31 | H11 | 29.8° | 150.0° |
| C32 | C30 | C31 | H12 | 149.8° | 29.9° |
| C32 | C30 | C29 | H25 | 179.7° | 179.9° |
| C32 | N27 | N26 | C25 | 1.8° | 0.1° |
| N27 | C32 | C33 | O34 | 179.3° | 180.0° |
| N27 | C32 | C33 | N35 | 0.1° | 0.1° |
| C32 | N27 | C28 | H24 | 179.0° | 180.0° |
| N26 | N27 | C32 | C33 | 1.6° | 0.1° |
| N27 | N26 | C25 | N35 | 0.5° | 0.1° |
| N27 | N26 | C25 | C22 | 177.5° | 180.0° |
| N26 | N27 | C28 | H24 | 1.1° | 0.0° |
| C32 | C33 | O34 | N35 | 179.4° | 179.9° |
| C32 | C33 | N35 | C25 | 1.2° | 0.1° |
| C32 | C33 | N35 | C36 | 179.9° | 180.0° |
| N5 | C6 | C12 | C7 | 175.6° | 179.8° |
| N5 | C6 | C12 | C10 | 175.7° | 179.7° |
| N5 | C6 | C7 | C8 | 175.4° | 179.7° |
| N5 | C6 | C7 | H4 | 4.6° | 0.2° |
| N5 | C6 | C12 | H5 | 4.3° | 0.1° |
| C6 | C12 | C10 | H5 | 180.0° | 179.9° |
| C6 | C12 | C10 | O11 | 179.4° | 179.9° |
| C6 | C12 | C10 | C9 | 0.0° | 0.0° |
| C12 | C6 | C7 | C8 | 1.0° | 0.1° |
| C12 | C6 | C7 | H4 | 179.0° | 180.0° |
| C12 | C6 | N5 | H17 | 59.6° | 134.4° |
| C10 | C12 | C6 | C7 | 0.1° | 0.1° |
| C12 | C10 | O11 | C9 | 179.4° | 180.0° |
| C12 | C10 | C9 | C8 | 1.1° | 0.0° |
| C12 | C10 | C9 | H18 | 178.9° | 179.9° |
| C12 | C10 | O11 | H19 | 180.0° | 95.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 2.1° | 0.1° |
| C6 | C7 | C8 | C13 | 178.4° | 180.0° |
| C7 | C6 | C12 | H5 | 179.9° | 180.0° |
| C7 | C6 | N5 | H17 | 116.4° | 45.4° |
| O11 | C10 | C9 | C8 | 179.5° | 180.0° |
| O11 | C10 | C12 | H5 | 0.6° | 0.1° |
| O11 | C10 | C9 | H18 | 0.5° | 0.1° |
| C10 | C9 | C8 | C7 | 2.2° | 0.0° |
| C10 | C9 | C8 | H18 | 180.0° | 179.9° |
| C10 | C9 | C8 | C13 | 178.2° | 180.0° |
| C9 | C10 | C12 | H5 | 180.0° | 179.9° |
| C9 | C10 | O11 | H19 | 0.6° | 85.0° |
| C7 | C8 | C13 | C14 | 142.7° | 54.8° |
| C7 | C8 | C9 | C13 | 176.1° | 180.0° |
| C7 | C8 | C13 | C42 | 35.0° | 124.7° |
| C7 | C8 | C9 | H18 | 177.8° | 179.9° |
| N15 | C14 | C13 | H20 | 180.0° | 179.9° |
| N15 | C14 | C13 | C8 | 178.0° | 180.0° |
| C14 | N15 | C16 | H21 | 180.0° | 179.9° |
| N15 | C14 | C13 | C42 | 0.2° | 0.3° |
| C14 | N15 | C16 | C42 | 0.1° | 0.1° |
| C14 | N15 | C16 | N17 | 179.8° | 179.7° |
| C14 | C13 | C8 | C9 | 33.4° | 125.1° |
| C14 | C13 | C8 | C42 | 177.8° | 179.5° |
| C13 | C14 | N15 | C16 | 0.1° | 0.2° |
| C14 | C13 | C42 | C16 | 0.3° | 0.4° |
| C14 | C13 | C42 | C20 | 179.6° | 179.7° |
| C13 | C14 | N15 | H21 | 179.9° | 179.8° |
| C9 | C8 | C13 | C42 | 148.8° | 55.3° |
| C9 | C8 | C7 | H4 | 177.9° | 180.0° |
| C8 | C13 | C42 | C16 | 177.8° | 180.0° |
| C8 | C13 | C42 | C20 | 1.5° | 0.0° |
| C13 | C8 | C7 | H4 | 1.6° | 0.1° |
| C13 | C8 | C9 | H18 | 1.8° | 0.0° |
| C8 | C13 | C14 | H20 | 2.0° | 0.2° |
| N26 | C25 | N35 | C33 | 1.0° | 0.1° |
| N26 | C25 | N35 | C22 | 176.8° | 180.0° |
| N26 | C25 | N35 | C36 | 179.9° | 180.0° |
| N26 | C25 | C22 | N21 | 49.1° | 64.1° |
| N26 | C25 | C22 | C24 | 68.2° | 55.8° |
| N26 | C25 | C22 | H23 | 172.5° | 175.9° |
| N15 | C16 | C42 | C13 | 0.2° | 0.3° |
| N15 | C16 | C42 | N17 | 179.9° | 179.7° |
| N15 | C16 | C42 | C20 | 179.7° | 179.8° |
| N15 | C16 | N17 | C18 | 178.9° | 179.6° |
| C16 | N15 | C14 | H20 | 179.9° | 179.9° |
| C13 | C42 | C16 | C20 | 179.5° | 180.0° |
| C13 | C42 | C16 | N17 | 179.7° | 180.0° |
| C13 | C42 | C20 | N21 | 4.0° | 0.1° |
| C13 | C42 | C20 | N19 | 179.3° | 180.0° |
| C42 | C13 | C14 | H20 | 179.8° | 179.8° |
| O34 | C33 | N35 | C25 | 179.4° | 180.0° |
| O34 | C33 | N35 | C36 | 0.5° | 0.0° |
| C33 | N35 | C25 | C36 | 178.9° | 179.9° |
| C33 | N35 | C25 | C22 | 175.8° | 180.0° |
| C33 | N35 | C36 | C41 | 94.0° | 70.1° |
| C33 | N35 | C36 | C37 | 85.8° | 109.6° |
| C42 | C16 | N17 | C18 | 0.9° | 0.0° |
| C16 | C42 | C20 | N21 | 176.8° | 180.0° |
| C16 | C42 | C20 | N19 | 0.1° | 0.0° |
| C42 | C16 | N15 | H21 | 179.9° | 180.0° |
| N17 | C16 | C42 | C20 | 0.2° | 0.0° |
| C16 | N17 | C18 | N19 | 1.5° | 0.0° |
| C16 | N17 | C18 | H6 | 178.4° | 179.9° |
| N17 | C16 | N15 | H21 | 0.2° | 0.4° |
| C42 | C20 | N21 | N19 | 176.7° | 180.0° |
| C42 | C20 | N21 | C22 | 173.5° | 177.5° |
| C42 | C20 | N19 | C18 | 0.7° | 0.0° |
| C42 | C20 | N21 | H22 | 64.5° | 2.5° |
| N17 | C18 | N19 | C20 | 1.5° | 0.0° |
| N17 | C18 | N19 | H6 | 180.0° | 179.9° |
| N35 | C25 | C22 | N21 | 133.9° | 115.9° |
| N35 | C25 | C22 | C24 | 108.8° | 124.1° |
| C25 | N35 | C36 | C41 | 87.1° | 110.0° |
| C25 | N35 | C36 | C37 | 93.1° | 70.3° |
| N35 | C25 | C22 | H23 | 10.5° | 4.1° |
| C25 | C22 | N21 | C20 | 73.4° | 153.4° |
| C22 | C25 | N35 | C36 | 3.1° | 0.0° |
| C25 | C22 | N21 | C24 | 117.1° | 120.0° |
| C25 | C22 | N21 | H23 | 123.0° | 120.0° |
| C25 | C22 | C24 | H23 | 119.6° | 120.0° |
| C25 | C22 | C24 | H7 | 180.0° | 55.0° |
| C25 | C22 | C24 | H8 | 60.0° | 174.9° |
| C25 | C22 | C24 | H9 | 60.0° | 65.1° |
| C25 | C22 | N21 | H22 | 164.7° | 26.5° |
| C20 | N21 | C22 | H22 | 121.9° | 179.9° |
| N21 | C20 | N19 | C18 | 177.6° | 179.9° |
| C20 | N21 | C22 | C24 | 169.5° | 86.6° |
| C20 | N21 | C22 | H23 | 49.6° | 33.4° |
| N19 | C20 | N21 | C22 | 9.8° | 2.4° |
| C20 | N19 | C18 | H6 | 178.5° | 180.0° |
| N19 | C20 | N21 | H22 | 112.1° | 177.5° |
| N35 | C36 | C41 | C37 | 179.9° | 179.7° |
| N35 | C36 | C41 | C40 | 179.8° | 179.7° |
| N35 | C36 | C37 | C38 | 179.9° | 179.7° |
| N35 | C36 | C37 | H13 | 0.2° | 0.3° |
| N35 | C36 | C41 | H26 | 0.2° | 0.3° |
| N21 | C22 | C24 | H23 | 120.6° | 120.0° |
| N21 | C22 | C24 | H7 | 60.2° | 175.0° |
| N21 | C22 | C24 | H8 | 59.8° | 65.0° |
| N21 | C22 | C24 | H9 | 179.8° | 54.9° |
| C22 | C24 | H7 | H8 | 120.0° | 120.0° |
| C22 | C24 | H7 | H9 | 120.0° | 120.0° |
| C22 | C24 | H8 | H9 | 120.0° | 120.0° |
| C24 | C22 | N21 | H22 | 47.6° | 93.5° |
| C36 | C41 | C40 | H26 | 180.0° | 180.0° |
| C41 | C36 | C37 | C38 | 0.3° | 0.0° |
| C36 | C41 | C40 | C39 | 0.2° | 0.0° |
| C41 | C36 | C37 | H13 | 179.7° | 179.9° |
| C36 | C41 | C40 | H16 | 179.8° | 180.0° |
| C37 | C36 | C41 | C40 | 0.3° | 0.0° |
| C36 | C37 | C38 | H13 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C36 | C37 | C38 | H14 | 179.9° | 180.0° |
| C37 | C36 | C41 | H26 | 179.6° | 180.0° |
| C41 | C40 | C39 | H16 | 180.0° | 180.0° |
| C41 | C40 | C39 | C38 | 0.1° | 0.1° |
| C41 | C40 | C39 | H15 | 179.9° | 180.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C37 | C38 | C39 | H14 | 180.0° | 180.0° |
| C37 | C38 | C39 | H15 | 180.0° | 180.0° |
| C40 | C39 | C38 | H15 | 180.0° | 179.9° |
| C40 | C39 | C38 | H14 | 180.0° | 179.9° |
| C39 | C40 | C41 | H26 | 179.7° | 180.0° |
| C39 | C38 | C37 | H13 | 179.9° | 180.0° |
| C38 | C39 | C40 | H16 | 179.9° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H7 | C24 | H8 | H9 | 120.0° | 120.0° |
| H7 | C24 | C22 | H23 | 60.4° | 65.0° |
| H8 | C24 | C22 | H23 | 179.6° | 54.9° |
| H9 | C24 | C22 | H23 | 59.6° | 174.9° |
| H10 | C31 | H11 | H12 | 120.0° | 120.0° |
| H13 | C37 | C38 | H14 | 0.1° | 0.0° |
| H14 | C38 | C39 | H15 | 0.0° | 0.0° |
| H15 | C39 | C40 | H16 | 0.1° | 0.0° |
| H16 | C40 | C41 | H26 | 0.2° | 0.1° |
| H20 | C14 | N15 | H21 | 0.1° | 0.1° |
| H22 | N21 | C22 | H23 | 72.3° | 146.5° |
| H24 | C28 | C29 | H25 | 0.5° | 0.1° |
