EN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O12 | sing | 1.36Å | 1.41Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | O15 | doub | 1.21Å | 1.19Å | |
| C13 | N32 | sing | 1.36Å | 1.46Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | S23 | sing | 1.76Å | 1.53Å | Aromatic |
| C24 | N25 | doub | 1.30Å | 1.39Å | Aromatic |
| C24 | C27 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C1 | N2 | sing | 1.40Å | 1.46Å | |
| C1 | S23 | sing | 1.71Å | 1.56Å | Aromatic |
| C1 | N26 | doub | 1.31Å | 1.38Å | Aromatic |
| N2 | C3 | sing | 1.35Å | 1.46Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | O5 | doub | 1.21Å | 1.20Å | |
| C4 | C6 | sing | 1.50Å | 1.53Å | |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| O12 | C38 | sing | 1.43Å | 1.41Å | |
| C14 | C16 | sing | 1.50Å | 1.55Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | O22 | sing | 1.36Å | 1.42Å | |
| O22 | C40 | sing | 1.43Å | 1.40Å | |
| N25 | N26 | sing | 1.27Å | 1.59Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C35 | sing | 1.51Å | 1.52Å | |
| C31 | N32 | sing | 1.41Å | 1.45Å | |
| C31 | N33 | doub | 1.32Å | 1.32Å | Aromatic |
| C31 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| N33 | N34 | sing | 1.28Å | 1.38Å | Aromatic |
| N34 | C35 | doub | 1.32Å | 1.32Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.37Å | Aromatic |
| C36 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | C43 | sing | 1.51Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.50Å | 1.54Å | |
| C42 | C43 | doub | 1.31Å | 1.33Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| N32 | H24 | sing | 0.97Å | 1.00Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.08Å | 1.08Å | |
| C43 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.2° | 120.2° |
| C09 | C10 | O12 | 124.7° | 119.3° |
| C10 | C09 | C8 | 122.4° | 120.0° |
| C10 | C09 | H13 | 118.8° | 120.0° |
| C11 | C10 | O12 | 116.1° | 120.5° |
| C10 | C11 | C6 | 119.3° | 119.8° |
| C10 | C11 | H14 | 120.4° | 120.1° |
| C10 | O12 | C38 | 112.5° | 118.7° |
| C14 | C13 | O15 | 119.2° | 120.9° |
| C14 | C13 | N32 | 120.4° | 118.1° |
| C13 | C14 | C16 | 116.2° | 111.4° |
| C13 | C14 | H15 | 107.8° | 109.1° |
| C13 | C14 | H16 | 107.8° | 109.1° |
| O15 | C13 | N32 | 120.4° | 121.0° |
| C13 | N32 | C31 | 122.4° | 117.2° |
| C13 | N32 | H24 | 118.8° | 121.5° |
| C16 | C17 | C18 | 121.6° | 119.9° |
| C17 | C16 | C21 | 118.8° | 119.9° |
| C17 | C16 | C14 | 121.1° | 120.4° |
| C16 | C17 | H1 | 119.2° | 120.1° |
| C17 | C18 | C19 | 118.2° | 119.9° |
| C17 | C18 | O22 | 120.7° | 120.4° |
| C18 | C17 | H1 | 119.2° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.1° |
| C20 | C21 | C16 | 120.6° | 120.2° |
| C21 | C20 | H2 | 120.0° | 119.9° |
| C20 | C21 | H3 | 119.7° | 119.9° |
| C20 | C19 | C18 | 120.8° | 120.0° |
| C19 | C20 | H2 | 120.0° | 120.0° |
| C20 | C19 | H17 | 119.6° | 120.0° |
| C21 | C16 | C14 | 120.1° | 119.7° |
| C16 | C21 | H3 | 119.7° | 119.9° |
| S23 | C24 | N25 | 105.6° | 107.6° |
| S23 | C24 | C27 | 128.2° | 126.5° |
| C24 | S23 | C1 | 108.9° | 89.7° |
| N25 | C24 | C27 | 126.2° | 125.9° |
| C24 | N25 | N26 | 110.5° | 116.6° |
| C24 | C27 | C28 | 106.8° | 110.4° |
| C24 | C27 | H18 | 110.2° | 109.3° |
| C24 | C27 | H19 | 110.1° | 109.3° |
| C27 | C28 | C29 | 112.6° | 109.9° |
| C27 | C28 | H5 | 108.7° | 109.4° |
| C27 | C28 | H6 | 108.7° | 109.4° |
| C28 | C27 | H18 | 110.1° | 109.3° |
| C28 | C27 | H19 | 110.1° | 109.3° |
| C28 | C29 | C30 | 115.1° | 109.7° |
| C29 | C28 | H5 | 108.7° | 109.4° |
| C29 | C28 | H6 | 108.7° | 109.4° |
| C28 | C29 | H20 | 108.0° | 109.4° |
| C28 | C29 | H21 | 108.0° | 109.4° |
| N2 | C1 | S23 | 134.4° | 127.7° |
| N2 | C1 | N26 | 118.9° | 123.5° |
| C1 | N2 | C3 | 121.8° | 122.5° |
| C1 | N2 | H8 | 119.1° | 118.7° |
| S23 | C1 | N26 | 106.7° | 108.8° |
| C1 | N26 | N25 | 108.3° | 117.3° |
| N2 | C3 | C4 | 118.5° | 119.1° |
| N2 | C3 | O5 | 120.9° | 120.4° |
| C3 | N2 | H8 | 119.1° | 118.8° |
| C4 | C3 | O5 | 120.6° | 120.5° |
| C3 | C4 | C6 | 118.6° | 112.2° |
| C3 | C4 | H9 | 107.1° | 108.9° |
| C3 | C4 | H10 | 107.1° | 109.0° |
| C4 | C6 | C7 | 124.3° | 118.4° |
| C4 | C6 | C11 | 113.7° | 122.1° |
| C6 | C4 | H9 | 107.2° | 108.9° |
| C6 | C4 | H10 | 107.1° | 108.9° |
| C7 | C6 | C11 | 121.9° | 119.5° |
| C6 | C7 | C8 | 119.6° | 120.7° |
| C6 | C7 | H11 | 120.2° | 119.7° |
| C6 | C11 | H14 | 120.3° | 120.1° |
| C7 | C8 | C09 | 117.5° | 119.8° |
| C8 | C7 | H11 | 120.2° | 119.6° |
| C7 | C8 | H12 | 121.2° | 120.1° |
| C09 | C8 | H12 | 121.2° | 120.1° |
| C8 | C09 | H13 | 118.8° | 120.0° |
| O12 | C38 | C39 | 104.3° | 109.6° |
| O12 | C38 | H27 | 110.7° | 109.4° |
| O12 | C38 | H28 | 110.7° | 109.4° |
| C16 | C14 | H15 | 107.8° | 109.1° |
| C16 | C14 | H16 | 107.8° | 109.1° |
| C19 | C18 | O22 | 121.1° | 119.7° |
| C18 | C19 | H17 | 119.6° | 120.0° |
| C18 | O22 | C40 | 117.6° | 117.0° |
| O22 | C40 | C41 | 110.9° | 108.8° |
| O22 | C40 | H31 | 109.1° | 109.6° |
| O22 | C40 | H32 | 109.1° | 109.6° |
| C29 | C30 | C35 | 103.1° | 109.5° |
| C30 | C29 | H20 | 108.1° | 109.4° |
| C30 | C29 | H21 | 108.1° | 109.4° |
| C29 | C30 | H22 | 111.0° | 109.5° |
| C29 | C30 | H23 | 111.0° | 109.4° |
| C30 | C35 | N34 | 121.4° | 120.3° |
| C30 | C35 | C36 | 120.1° | 119.8° |
| C35 | C30 | H22 | 111.1° | 109.4° |
| C35 | C30 | H23 | 111.1° | 109.5° |
| N32 | C31 | N33 | 122.5° | 121.1° |
| N32 | C31 | C37 | 118.7° | 119.2° |
| C31 | N32 | H24 | 118.8° | 121.3° |
| N33 | C31 | C37 | 118.7° | 119.6° |
| C31 | N33 | N34 | 120.3° | 122.2° |
| C31 | C37 | C36 | 120.3° | 118.0° |
| C31 | C37 | H26 | 119.8° | 121.0° |
| N33 | N34 | C35 | 122.6° | 122.3° |
| N34 | C35 | C36 | 118.5° | 119.8° |
| C35 | C36 | C37 | 119.5° | 118.0° |
| C35 | C36 | H25 | 120.3° | 121.0° |
| C37 | C36 | H25 | 120.2° | 121.0° |
| C36 | C37 | H26 | 119.8° | 121.1° |
| C38 | C39 | C43 | 114.0° | 109.2° |
| C39 | C38 | H27 | 110.7° | 109.4° |
| C39 | C38 | H28 | 110.7° | 109.5° |
| C38 | C39 | H29 | 108.3° | 109.5° |
| C38 | C39 | H30 | 108.3° | 109.6° |
| C39 | C43 | C42 | 118.3° | 119.7° |
| C43 | C39 | H29 | 108.3° | 109.5° |
| C43 | C39 | H30 | 108.3° | 109.5° |
| C39 | C43 | H36 | 120.8° | 119.5° |
| C40 | C41 | C42 | 108.2° | 110.0° |
| C41 | C40 | H31 | 109.2° | 109.6° |
| C41 | C40 | H32 | 109.1° | 109.5° |
| C40 | C41 | H33 | 109.8° | 109.4° |
| C40 | C41 | H34 | 109.8° | 109.3° |
| C41 | C42 | C43 | 122.3° | 120.1° |
| C42 | C41 | H33 | 109.8° | 109.4° |
| C42 | C41 | H34 | 109.8° | 109.4° |
| C41 | C42 | H35 | 118.9° | 121.3° |
| C43 | C42 | H35 | 118.8° | 118.7° |
| C42 | C43 | H36 | 120.8° | 120.8° |
| H5 | C28 | H6 | 109.5° | 109.3° |
| H9 | C4 | H10 | 109.5° | 108.9° |
| H15 | C14 | H16 | 109.4° | 109.1° |
| H18 | C27 | H19 | 109.5° | 109.2° |
| H20 | C29 | H21 | 109.5° | 109.4° |
| H22 | C30 | H23 | 109.5° | 109.4° |
| H27 | C38 | H28 | 109.5° | 109.4° |
| H29 | C39 | H30 | 109.4° | 109.5° |
| H31 | C40 | H32 | 109.4° | 109.7° |
| H33 | C41 | H34 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | O12 | 179.3° | 179.8° |
| C09 | C10 | C11 | C6 | 1.2° | 1.4° |
| C10 | C09 | C8 | C7 | 0.8° | 0.1° |
| C10 | C09 | C8 | H13 | 180.0° | 179.9° |
| C09 | C10 | O12 | C38 | 169.2° | 104.4° |
| C10 | C09 | C8 | H12 | 179.3° | 179.7° |
| C09 | C10 | C11 | H14 | 178.8° | 178.6° |
| C10 | C11 | C6 | C4 | 179.6° | 179.6° |
| C10 | C11 | C6 | C7 | 1.8° | 0.4° |
| C10 | C11 | C6 | H14 | 180.0° | 180.0° |
| C11 | C10 | C09 | C8 | 0.1° | 1.3° |
| C11 | C10 | O12 | C38 | 11.5° | 75.8° |
| C11 | C10 | C09 | H13 | 180.0° | 178.7° |
| O12 | C10 | C11 | C6 | 179.4° | 178.8° |
| O12 | C10 | C09 | C8 | 179.2° | 178.9° |
| C10 | O12 | C38 | C39 | 109.7° | 167.0° |
| O12 | C10 | C09 | H13 | 0.7° | 1.1° |
| O12 | C10 | C11 | H14 | 0.6° | 1.2° |
| C10 | O12 | C38 | H27 | 9.5° | 73.0° |
| C10 | O12 | C38 | H28 | 131.2° | 46.9° |
| C14 | C13 | O15 | N32 | 179.0° | 180.0° |
| C13 | C14 | C16 | C17 | 61.9° | 44.5° |
| C13 | C14 | C16 | C21 | 119.6° | 135.6° |
| C13 | C14 | C16 | H15 | 121.0° | 120.5° |
| C13 | C14 | C16 | H16 | 121.0° | 120.5° |
| C14 | C13 | N32 | C31 | 178.8° | 176.7° |
| C13 | C14 | H15 | H16 | 116.9° | 119.1° |
| C14 | C13 | N32 | H24 | 1.2° | 3.5° |
| O15 | C13 | C14 | C16 | 57.9° | 26.3° |
| O15 | C13 | N32 | C31 | 2.3° | 3.3° |
| O15 | C13 | C14 | H15 | 178.8° | 94.2° |
| O15 | C13 | C14 | H16 | 63.1° | 146.8° |
| O15 | C13 | N32 | H24 | 177.7° | 176.5° |
| N32 | C13 | C14 | C16 | 123.2° | 153.7° |
| C13 | N32 | C31 | H24 | 180.0° | 179.8° |
| C13 | N32 | C31 | N33 | 120.3° | 6.7° |
| C13 | N32 | C31 | C37 | 59.9° | 174.0° |
| N32 | C13 | C14 | H15 | 2.2° | 85.9° |
| N32 | C13 | C14 | H16 | 115.8° | 33.2° |
| C16 | C17 | C18 | H1 | 180.0° | 180.0° |
| C17 | C16 | C21 | C20 | 1.1° | 1.6° |
| C17 | C16 | C21 | C14 | 178.5° | 179.9° |
| C16 | C17 | C18 | C19 | 1.7° | 2.2° |
| C16 | C17 | C18 | O22 | 180.0° | 177.3° |
| C17 | C16 | C21 | H3 | 178.8° | 178.5° |
| C17 | C16 | C14 | H15 | 59.1° | 165.0° |
| C17 | C16 | C14 | H16 | 177.2° | 75.9° |
| C17 | C18 | C19 | C20 | 0.9° | 1.2° |
| C18 | C17 | C16 | C21 | 1.8° | 2.4° |
| C18 | C17 | C16 | C14 | 179.6° | 177.5° |
| C17 | C18 | C19 | O22 | 178.2° | 179.5° |
| C17 | C18 | O22 | C40 | 56.2° | 92.3° |
| C17 | C18 | C19 | H17 | 179.1° | 178.8° |
| C21 | C20 | C19 | H2 | 180.0° | 179.9° |
| C20 | C21 | C16 | H3 | 180.0° | 179.9° |
| C20 | C21 | C16 | C14 | 179.7° | 178.4° |
| C21 | C20 | C19 | C18 | 0.3° | 0.4° |
| C21 | C20 | C19 | H17 | 179.7° | 179.6° |
| C19 | C20 | C21 | C16 | 0.4° | 0.6° |
| C20 | C19 | C18 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | O22 | 179.2° | 178.3° |
| C19 | C20 | C21 | H3 | 179.6° | 179.5° |
| C21 | C16 | C17 | H1 | 178.2° | 177.6° |
| C16 | C21 | C20 | H2 | 179.6° | 179.4° |
| C21 | C16 | C14 | H15 | 119.4° | 15.1° |
| C21 | C16 | C14 | H16 | 1.3° | 104.0° |
| S23 | C24 | N25 | C27 | 179.0° | 180.0° |
| S23 | C24 | C27 | C28 | 173.3° | 38.5° |
| C24 | S23 | C1 | N2 | 178.5° | 178.7° |
| C24 | S23 | C1 | N26 | 0.6° | 0.7° |
| S23 | C24 | N25 | N26 | 0.1° | 0.4° |
| S23 | C24 | C27 | H18 | 53.7° | 158.7° |
| S23 | C24 | C27 | H19 | 67.1° | 81.8° |
| N25 | C24 | C27 | C28 | 5.5° | 141.5° |
| N25 | C24 | S23 | C1 | 0.3° | 0.6° |
| C24 | N25 | N26 | C1 | 0.5° | 0.1° |
| N25 | C24 | C27 | H18 | 125.1° | 21.3° |
| N25 | C24 | C27 | H19 | 114.1° | 98.3° |
| C24 | C27 | C28 | H18 | 119.6° | 120.3° |
| C24 | C27 | C28 | H19 | 119.6° | 120.3° |
| C24 | C27 | C28 | C29 | 125.2° | 136.5° |
| C27 | C24 | S23 | C1 | 178.7° | 179.4° |
| C27 | C24 | N25 | N26 | 179.1° | 179.6° |
| C24 | C27 | C28 | H5 | 114.4° | 16.4° |
| C24 | C27 | C28 | H6 | 4.7° | 103.3° |
| C24 | C27 | H18 | H19 | 121.2° | 119.6° |
| C27 | C28 | C29 | H5 | 120.5° | 120.1° |
| C27 | C28 | C29 | H6 | 120.4° | 120.2° |
| C27 | C28 | C29 | C30 | 99.0° | 141.5° |
| C27 | C28 | H5 | H6 | 118.6° | 119.7° |
| C28 | C27 | H18 | H19 | 121.2° | 119.5° |
| C27 | C28 | C29 | H20 | 21.9° | 21.4° |
| C27 | C28 | C29 | H21 | 140.2° | 98.4° |
| C28 | C29 | C30 | H20 | 120.8° | 120.1° |
| C28 | C29 | C30 | H21 | 120.8° | 120.0° |
| C28 | C29 | C30 | C35 | 122.9° | 141.3° |
| C29 | C28 | H5 | H6 | 118.6° | 119.8° |
| C29 | C28 | C27 | H18 | 5.6° | 103.3° |
| C29 | C28 | C27 | H19 | 115.3° | 16.2° |
| C28 | C29 | H20 | H21 | 117.4° | 119.8° |
| C28 | C29 | C30 | H22 | 118.1° | 21.3° |
| C28 | C29 | C30 | H23 | 4.0° | 98.6° |
| N2 | C1 | S23 | N26 | 178.0° | 179.4° |
| C1 | N2 | C3 | H8 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 175.8° | 162.2° |
| C1 | N2 | C3 | O5 | 2.1° | 17.8° |
| N2 | C1 | N26 | N25 | 178.9° | 178.8° |
| S23 | C1 | N2 | C3 | 65.5° | 6.8° |
| S23 | C1 | N26 | N25 | 0.6° | 0.6° |
| S23 | C1 | N2 | H8 | 114.4° | 173.2° |
| N26 | C1 | N2 | C3 | 112.2° | 172.6° |
| N26 | C1 | N2 | H8 | 67.8° | 7.5° |
| N2 | C3 | C4 | O5 | 177.9° | 180.0° |
| N2 | C3 | C4 | C6 | 104.5° | 149.8° |
| N2 | C3 | C4 | H9 | 16.8° | 89.6° |
| N2 | C3 | C4 | H10 | 134.2° | 29.0° |
| C3 | C4 | C6 | H9 | 121.3° | 120.6° |
| C3 | C4 | C6 | H10 | 121.3° | 120.7° |
| C3 | C4 | C6 | C7 | 95.2° | 162.8° |
| C3 | C4 | C6 | C11 | 86.3° | 17.2° |
| C4 | C3 | N2 | H8 | 4.2° | 17.9° |
| C3 | C4 | H9 | H10 | 115.8° | 118.7° |
| O5 | C3 | C4 | C6 | 77.6° | 30.3° |
| O5 | C3 | N2 | H8 | 177.9° | 162.1° |
| O5 | C3 | C4 | H9 | 161.1° | 90.4° |
| O5 | C3 | C4 | H10 | 43.7° | 151.0° |
| C4 | C6 | C7 | C11 | 178.4° | 180.0° |
| C4 | C6 | C7 | C8 | 179.5° | 179.3° |
| C6 | C4 | H9 | H10 | 115.9° | 118.7° |
| C4 | C6 | C7 | H11 | 0.5° | 0.7° |
| C4 | C6 | C11 | H14 | 0.4° | 0.4° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C09 | 0.2° | 0.9° |
| C7 | C6 | C4 | H9 | 143.5° | 76.6° |
| C7 | C6 | C4 | H10 | 26.1° | 42.0° |
| C6 | C7 | C8 | H12 | 179.8° | 179.3° |
| C7 | C6 | C11 | H14 | 178.2° | 179.6° |
| C11 | C6 | C7 | C8 | 1.1° | 0.7° |
| C11 | C6 | C4 | H9 | 35.0° | 103.4° |
| C11 | C6 | C4 | H10 | 152.4° | 138.0° |
| C11 | C6 | C7 | H11 | 178.9° | 179.3° |
| C7 | C8 | C09 | H12 | 180.0° | 179.8° |
| C7 | C8 | C09 | H13 | 179.3° | 179.8° |
| C09 | C8 | C7 | H11 | 179.8° | 179.1° |
| O12 | C38 | C39 | H27 | 119.2° | 120.0° |
| O12 | C38 | C39 | H28 | 119.2° | 120.1° |
| O12 | C38 | C39 | C43 | 131.9° | 160.5° |
| O12 | C38 | H27 | H28 | 122.4° | 119.9° |
| O12 | C38 | C39 | H29 | 11.2° | 79.6° |
| O12 | C38 | C39 | H30 | 107.4° | 40.6° |
| C14 | C16 | C17 | H1 | 0.4° | 2.4° |
| C14 | C16 | C21 | H3 | 0.3° | 1.6° |
| C16 | C14 | H15 | H16 | 117.0° | 119.1° |
| C19 | C18 | O22 | C40 | 125.6° | 88.2° |
| C19 | C18 | C17 | H1 | 178.3° | 177.8° |
| C18 | C19 | C20 | H2 | 179.7° | 179.5° |
| C18 | O22 | C40 | C41 | 143.9° | 173.7° |
| O22 | C18 | C17 | H1 | 0.0° | 2.6° |
| O22 | C18 | C19 | H17 | 0.9° | 1.7° |
| C18 | O22 | C40 | H31 | 23.6° | 53.9° |
| C18 | O22 | C40 | H32 | 95.9° | 66.5° |
| O22 | C40 | C41 | H31 | 120.2° | 119.8° |
| O22 | C40 | C41 | H32 | 120.2° | 119.8° |
| O22 | C40 | C41 | C42 | 134.2° | 176.7° |
| O22 | C40 | H31 | H32 | 119.3° | 120.4° |
| O22 | C40 | C41 | H33 | 14.5° | 56.5° |
| O22 | C40 | C41 | H34 | 105.9° | 63.1° |
| C29 | C30 | C35 | H22 | 118.9° | 120.0° |
| C29 | C30 | C35 | H23 | 119.0° | 120.0° |
| C29 | C30 | C35 | N34 | 63.4° | 100.5° |
| C29 | C30 | C35 | C36 | 116.1° | 78.3° |
| C30 | C29 | C28 | H5 | 140.5° | 98.4° |
| C30 | C29 | C28 | H6 | 21.5° | 21.3° |
| C30 | C29 | H20 | H21 | 117.5° | 119.9° |
| C29 | C30 | H22 | H23 | 123.0° | 119.9° |
| C30 | C35 | N34 | N33 | 179.1° | 179.2° |
| C30 | C35 | N34 | C36 | 179.5° | 178.8° |
| C30 | C35 | C36 | C37 | 179.6° | 179.9° |
| C35 | C30 | C29 | H20 | 2.1° | 98.6° |
| C35 | C30 | C29 | H21 | 116.2° | 21.2° |
| C35 | C30 | H22 | H23 | 123.0° | 120.0° |
| C30 | C35 | C36 | H25 | 0.4° | 0.1° |
| N32 | C31 | N33 | C37 | 179.8° | 179.3° |
| N32 | C31 | N33 | N34 | 179.8° | 178.8° |
| N32 | C31 | C37 | C36 | 179.7° | 179.5° |
| N32 | C31 | C37 | H26 | 0.3° | 0.6° |
| C31 | N33 | N34 | C35 | 0.7° | 0.4° |
| N33 | C31 | C37 | C36 | 0.1° | 0.1° |
| N33 | C31 | N32 | H24 | 59.7° | 173.5° |
| N33 | C31 | C37 | H26 | 179.9° | 179.9° |
| C37 | C31 | N33 | N34 | 0.4° | 0.5° |
| C31 | C37 | C36 | C35 | 0.3° | 0.9° |
| C31 | C37 | C36 | H26 | 180.0° | 179.9° |
| C37 | C31 | N32 | H24 | 120.0° | 5.9° |
| C31 | C37 | C36 | H25 | 179.7° | 179.1° |
| N33 | N34 | C35 | C36 | 0.4° | 0.4° |
| N34 | C35 | C36 | C37 | 0.1° | 1.0° |
| N34 | C35 | C30 | H22 | 55.5° | 19.5° |
| N34 | C35 | C30 | H23 | 177.6° | 139.4° |
| N34 | C35 | C36 | H25 | 179.9° | 179.0° |
| C35 | C36 | C37 | H25 | 180.0° | 180.0° |
| C36 | C35 | C30 | H22 | 125.0° | 161.7° |
| C36 | C35 | C30 | H23 | 2.9° | 41.8° |
| C35 | C36 | C37 | H26 | 179.7° | 179.2° |
| C38 | C39 | C43 | H29 | 120.7° | 119.9° |
| C38 | C39 | C43 | H30 | 120.7° | 120.0° |
| C38 | C39 | C43 | C42 | 166.7° | 166.2° |
| C39 | C38 | H27 | H28 | 122.4° | 119.9° |
| C38 | C39 | H29 | H30 | 117.9° | 120.2° |
| C38 | C39 | C43 | H36 | 13.2° | 13.7° |
| C39 | C43 | C42 | C41 | 179.1° | 180.0° |
| C39 | C43 | C42 | H36 | 180.0° | 179.9° |
| C43 | C39 | C38 | H27 | 108.9° | 40.5° |
| C43 | C39 | C38 | H28 | 12.7° | 79.4° |
| C43 | C39 | H29 | H30 | 117.9° | 120.1° |
| C39 | C43 | C42 | H35 | 0.9° | 0.0° |
| C40 | C41 | C42 | H33 | 119.8° | 120.1° |
| C40 | C41 | C42 | H34 | 119.8° | 120.1° |
| C40 | C41 | C42 | C43 | 128.4° | 142.0° |
| C41 | C40 | H31 | H32 | 119.4° | 120.3° |
| C40 | C41 | H33 | H34 | 120.6° | 119.7° |
| C40 | C41 | C42 | H35 | 51.7° | 38.0° |
| C41 | C42 | C43 | H35 | 180.0° | 180.0° |
| C42 | C41 | C40 | H31 | 105.5° | 63.5° |
| C42 | C41 | C40 | H32 | 14.0° | 56.9° |
| C42 | C41 | H33 | H34 | 120.6° | 119.8° |
| C41 | C42 | C43 | H36 | 0.9° | 0.1° |
| C42 | C43 | C39 | H29 | 46.0° | 73.8° |
| C42 | C43 | C39 | H30 | 72.6° | 46.3° |
| C43 | C42 | C41 | H33 | 111.9° | 97.9° |
| C43 | C42 | C41 | H34 | 8.5° | 21.9° |
| H2 | C20 | C21 | H3 | 0.4° | 0.6° |
| H2 | C20 | C19 | H17 | 0.3° | 0.5° |
| H5 | C28 | C27 | H18 | 126.0° | 136.6° |
| H5 | C28 | C27 | H19 | 5.2° | 103.9° |
| H5 | C28 | C29 | H20 | 98.6° | 141.6° |
| H5 | C28 | C29 | H21 | 19.7° | 21.7° |
| H6 | C28 | C27 | H18 | 114.9° | 16.9° |
| H6 | C28 | C27 | H19 | 124.3° | 136.4° |
| H6 | C28 | C29 | H20 | 142.3° | 98.7° |
| H6 | C28 | C29 | H21 | 99.4° | 141.4° |
| H11 | C7 | C8 | H12 | 0.2° | 0.7° |
| H12 | C8 | C09 | H13 | 0.7° | 0.4° |
| H20 | C29 | C30 | H22 | 121.1° | 141.4° |
| H20 | C29 | C30 | H23 | 116.9° | 21.5° |
| H21 | C29 | C30 | H22 | 2.7° | 98.7° |
| H21 | C29 | C30 | H23 | 124.8° | 141.3° |
| H25 | C36 | C37 | H26 | 0.3° | 0.8° |
| H27 | C38 | C39 | H29 | 130.4° | 160.4° |
| H27 | C38 | C39 | H30 | 11.8° | 79.5° |
| H28 | C38 | C39 | H29 | 108.0° | 40.5° |
| H28 | C38 | C39 | H30 | 133.4° | 160.7° |
| H29 | C39 | C43 | H36 | 133.9° | 106.2° |
| H30 | C39 | C43 | H36 | 107.4° | 133.7° |
| H31 | C40 | C41 | H33 | 134.7° | 176.3° |
| H31 | C40 | C41 | H34 | 14.3° | 56.7° |
| H32 | C40 | C41 | H33 | 105.8° | 63.3° |
| H32 | C40 | C41 | H34 | 133.8° | 177.1° |
| H33 | C41 | C42 | H35 | 68.1° | 82.1° |
| H34 | C41 | C42 | H35 | 171.5° | 158.1° |
| H35 | C42 | C43 | H36 | 179.1° | 180.0° |
