FEY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C29 | O37 | doub | 1.21Å | 1.27Å | |
| C29 | N28 | sing | 1.35Å | 1.43Å | |
| C38 | N28 | sing | 1.47Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| N28 | C27 | sing | 1.47Å | 1.47Å | |
| C39 | C25 | sing | 1.53Å | 1.54Å | |
| C40 | C25 | sing | 1.53Å | 1.62Å | |
| C40 | C23 | sing | 1.54Å | 1.61Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C23 | O22 | sing | 1.45Å | 1.41Å | |
| O22 | C02 | sing | 1.35Å | 1.40Å | |
| C02 | N03 | sing | 1.35Å | 1.36Å | |
| C02 | O01 | doub | 1.22Å | 1.24Å | |
| N03 | C04 | sing | 1.47Å | 1.44Å | |
| O21 | C09 | doub | 1.21Å | 1.26Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C16 | N15 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C17 | C13 | sing | 1.55Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C04 | C09 | sing | 1.51Å | 1.55Å | |
| C09 | N10 | sing | 1.35Å | 1.36Å | |
| N15 | C14 | sing | 1.34Å | 1.39Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| N10 | C11 | sing | 1.46Å | 1.48Å | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C19 | sing | 1.53Å | 1.55Å | |
| O20 | C19 | sing | 1.43Å | 1.37Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C38 | H11 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| N15 | H27 | sing | 0.97Å | 1.00Å | |
| C06 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H30 | sing | 1.09Å | 1.10Å | |
| C08 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| N03 | H36 | sing | 0.97Å | 1.00Å | |
| N10 | H37 | sing | 0.97Å | 1.00Å | |
| O20 | H38 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 14.12Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| O3 | H7 | sing | 0.97Å | 0.00Å | |
| C30 | C1 | sing | 1.51Å | 15.77Å | |
| C1 | C2 | sing | 1.38Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
| C2 | H10 | sing | 1.08Å | 0.00Å | |
| C3 | H39 | sing | 1.08Å | 0.00Å | |
| C4 | H40 | sing | 1.08Å | 0.00Å | |
| C5 | H41 | sing | 1.08Å | 0.00Å | |
| C6 | H42 | sing | 1.08Å | 0.00Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C39 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | O37 | 112.6° | 120.0° |
| C30 | C29 | N28 | 132.8° | 120.0° |
| C29 | C30 | H8 | 122.5° | 109.4° |
| C29 | C30 | H9 | 122.5° | 109.4° |
| C29 | C30 | C1 | 42.8° | 109.5° |
| O37 | C29 | N28 | 114.6° | 120.0° |
| C29 | N28 | C38 | 123.3° | 120.5° |
| C29 | N28 | C27 | 124.5° | 120.5° |
| N28 | C38 | C39 | 119.7° | 108.8° |
| C38 | N28 | C27 | 112.2° | 119.0° |
| N28 | C38 | H11 | 106.9° | 109.6° |
| N28 | C38 | H43 | 106.9° | 109.6° |
| C38 | C39 | C25 | 120.9° | 109.2° |
| C39 | C38 | H11 | 106.8° | 109.6° |
| C38 | C39 | H12 | 106.5° | 109.5° |
| C39 | C38 | H43 | 106.9° | 109.6° |
| C38 | C39 | H44 | 106.6° | 109.6° |
| N28 | C27 | C26 | 118.1° | 108.8° |
| N28 | C27 | H25 | 107.3° | 109.6° |
| N28 | C27 | H26 | 107.3° | 109.6° |
| C39 | C25 | C40 | 101.6° | 113.5° |
| C39 | C25 | C26 | 109.9° | 112.9° |
| C39 | C25 | C24 | 109.4° | 113.5° |
| C25 | C39 | H12 | 106.5° | 109.5° |
| C25 | C39 | H44 | 106.5° | 109.6° |
| C25 | C40 | C23 | 89.4° | 87.0° |
| C40 | C25 | C26 | 138.1° | 113.5° |
| C40 | C25 | C24 | 84.7° | 87.5° |
| C25 | C40 | H13 | 114.2° | 113.7° |
| C25 | C40 | H14 | 114.2° | 113.7° |
| C40 | C23 | C24 | 85.3° | 87.1° |
| C40 | C23 | O22 | 124.6° | 113.6° |
| C23 | C40 | H13 | 114.2° | 113.6° |
| C23 | C40 | H14 | 114.2° | 113.6° |
| C40 | C23 | H24 | 110.3° | 113.7° |
| C27 | C26 | C25 | 122.6° | 108.9° |
| C26 | C27 | H25 | 107.3° | 109.6° |
| C26 | C27 | H26 | 107.3° | 109.6° |
| C27 | C26 | H34 | 106.1° | 109.6° |
| C27 | C26 | H35 | 106.1° | 109.5° |
| C26 | C25 | C24 | 109.0° | 113.7° |
| C25 | C26 | H34 | 106.1° | 109.4° |
| C25 | C26 | H35 | 106.1° | 109.9° |
| C25 | C24 | C23 | 94.5° | 87.0° |
| C25 | C24 | H32 | 113.1° | 113.6° |
| C25 | C24 | H33 | 113.1° | 113.7° |
| C24 | C23 | O22 | 108.2° | 113.6° |
| C24 | C23 | H24 | 111.3° | 113.6° |
| C23 | C24 | H32 | 113.1° | 113.7° |
| C23 | C24 | H33 | 113.1° | 113.6° |
| C23 | O22 | C02 | 118.9° | 117.0° |
| O22 | C23 | H24 | 113.3° | 112.9° |
| O22 | C02 | N03 | 121.5° | 120.0° |
| O22 | C02 | O01 | 116.8° | 120.0° |
| N03 | C02 | O01 | 121.7° | 120.0° |
| C02 | N03 | C04 | 127.2° | 120.0° |
| C02 | N03 | H36 | 116.4° | 120.0° |
| N03 | C04 | C05 | 115.8° | 109.5° |
| N03 | C04 | C09 | 106.2° | 109.5° |
| N03 | C04 | H15 | 108.8° | 109.4° |
| C04 | N03 | H36 | 116.4° | 120.0° |
| O21 | C09 | C04 | 114.6° | 120.0° |
| O21 | C09 | N10 | 120.8° | 119.9° |
| C17 | C16 | N15 | 101.5° | 105.5° |
| C16 | C17 | C13 | 107.8° | 101.7° |
| C17 | C16 | H2 | 111.4° | 110.3° |
| C17 | C16 | H3 | 111.4° | 110.2° |
| C16 | C17 | H4 | 109.9° | 111.0° |
| C16 | C17 | H5 | 109.9° | 111.0° |
| C16 | N15 | C14 | 111.3° | 111.3° |
| N15 | C16 | H2 | 111.4° | 110.2° |
| N15 | C16 | H3 | 111.4° | 110.3° |
| C16 | N15 | H27 | 124.3° | 124.3° |
| C07 | C06 | C05 | 111.7° | 109.5° |
| C07 | C06 | C08 | 112.2° | 109.4° |
| C06 | C07 | H18 | 109.5° | 109.5° |
| C06 | C07 | H19 | 109.4° | 109.4° |
| C06 | C07 | H20 | 109.5° | 109.5° |
| C07 | C06 | H28 | 106.3° | 109.5° |
| C05 | C06 | C08 | 113.4° | 109.5° |
| C06 | C05 | C04 | 114.9° | 109.5° |
| C06 | C05 | H16 | 108.1° | 109.5° |
| C06 | C05 | H17 | 108.1° | 109.5° |
| C05 | C06 | H28 | 106.3° | 109.5° |
| C08 | C06 | H28 | 106.3° | 109.4° |
| C06 | C08 | H29 | 109.5° | 109.5° |
| C06 | C08 | H30 | 109.4° | 109.5° |
| C06 | C08 | H31 | 109.5° | 109.5° |
| C17 | C13 | C14 | 99.5° | 104.2° |
| C17 | C13 | C12 | 112.7° | 110.5° |
| C17 | C13 | H1 | 108.4° | 110.6° |
| C13 | C17 | H4 | 109.9° | 111.0° |
| C13 | C17 | H5 | 109.9° | 111.0° |
| C05 | C04 | C09 | 110.9° | 109.5° |
| C05 | C04 | H15 | 107.3° | 109.5° |
| C04 | C05 | H16 | 108.1° | 109.5° |
| C04 | C05 | H17 | 108.1° | 109.5° |
| C04 | C09 | N10 | 124.7° | 120.0° |
| C09 | C04 | H15 | 107.5° | 109.5° |
| C09 | N10 | C11 | 127.5° | 120.1° |
| C09 | N10 | H37 | 116.3° | 119.9° |
| N15 | C14 | C13 | 110.6° | 110.1° |
| N15 | C14 | O18 | 127.1° | 125.0° |
| C14 | N15 | H27 | 124.3° | 124.4° |
| C14 | C13 | C12 | 118.6° | 110.5° |
| C13 | C14 | O18 | 122.3° | 124.9° |
| C14 | C13 | H1 | 108.2° | 110.5° |
| C13 | C12 | C11 | 116.3° | 109.5° |
| C12 | C13 | H1 | 108.7° | 110.4° |
| C13 | C12 | H22 | 107.8° | 109.5° |
| C13 | C12 | H23 | 107.7° | 109.4° |
| N10 | C11 | C12 | 116.9° | 109.5° |
| N10 | C11 | C19 | 109.3° | 109.5° |
| N10 | C11 | H21 | 107.2° | 109.5° |
| C11 | N10 | H37 | 116.3° | 120.0° |
| C12 | C11 | C19 | 109.9° | 109.5° |
| C12 | C11 | H21 | 106.5° | 109.4° |
| C11 | C12 | H22 | 107.7° | 109.5° |
| C11 | C12 | H23 | 107.8° | 109.5° |
| C11 | C19 | O20 | 111.4° | 109.5° |
| C11 | C19 | H6 | 120.5° | 109.5° |
| C19 | C11 | H21 | 106.5° | 109.5° |
| C11 | C19 | S1 | 60.2° | 109.5° |
| O20 | C19 | H6 | 124.9° | 109.5° |
| C19 | O20 | H38 | 109.5° | 113.9° |
| O20 | C19 | S1 | 96.9° | 109.5° |
| H2 | C16 | H3 | 109.4° | 110.3° |
| H4 | C17 | H5 | 109.5° | 110.9° |
| H6 | C19 | S1 | 93.2° | 109.5° |
| H8 | C30 | H9 | 109.5° | 109.5° |
| H8 | C30 | C1 | 122.5° | 109.5° |
| H9 | C30 | C1 | 122.5° | 109.5° |
| H11 | C38 | H43 | 109.4° | 109.7° |
| H12 | C39 | H44 | 109.5° | 109.5° |
| H13 | C40 | H14 | 109.5° | 112.9° |
| H16 | C05 | H17 | 109.5° | 109.4° |
| H18 | C07 | H19 | 109.4° | 109.4° |
| H18 | C07 | H20 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.7° |
| H29 | C08 | H30 | 109.5° | 109.5° |
| H29 | C08 | H31 | 109.5° | 109.5° |
| H30 | C08 | H31 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.5° | 112.9° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| C19 | S1 | O1 | 90.0° | 110.5° |
| C19 | S1 | O2 | 90.0° | 110.5° |
| C19 | S1 | O3 | 90.0° | 104.4° |
| O1 | S1 | O2 | 90.0° | 121.0° |
| O1 | S1 | O3 | 90.0° | 104.3° |
| O2 | S1 | O3 | 90.0° | 104.3° |
| S1 | O3 | H7 | 90.0° | 113.9° |
| C30 | C1 | C2 | 90.0° | 120.0° |
| C30 | C1 | C6 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C2 | C1 | C6 | 90.0° | 120.0° |
| C1 | C2 | H10 | 90.0° | 120.0° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C3 | C2 | H10 | 90.0° | 120.0° |
| C2 | C3 | H39 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C4 | C3 | H39 | 90.0° | 120.0° |
| C3 | C4 | H40 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | H40 | 90.0° | 120.0° |
| C4 | C5 | H41 | 90.0° | 120.0° |
| C5 | C6 | C1 | 90.0° | 120.0° |
| C6 | C5 | H41 | 90.0° | 120.0° |
| C5 | C6 | H42 | 90.0° | 120.0° |
| C1 | C6 | H42 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | O37 | N28 | 178.7° | 179.9° |
| C30 | C29 | N28 | C38 | 0.7° | 0.3° |
| C30 | C29 | N28 | C27 | 179.1° | 180.0° |
| C29 | C30 | H8 | H9 | 154.3° | 119.9° |
| C29 | C30 | H8 | C1 | 51.3° | 120.0° |
| C29 | C30 | H9 | C1 | 51.3° | 120.0° |
| C29 | C30 | C1 | C2 | 90.0° | 90.0° |
| C29 | C30 | C1 | C6 | 90.0° | 90.3° |
| O37 | C29 | N28 | C38 | 179.1° | 179.8° |
| O37 | C29 | N28 | C27 | 0.7° | 0.0° |
| O37 | C29 | C30 | H8 | 9.2° | 120.1° |
| O37 | C29 | C30 | H9 | 160.2° | 120.0° |
| O37 | C29 | C30 | C1 | 95.3° | 0.0° |
| C29 | N28 | C38 | C27 | 179.8° | 179.7° |
| C29 | N28 | C38 | C39 | 148.7° | 124.8° |
| C29 | N28 | C27 | C26 | 137.7° | 124.5° |
| N28 | C29 | C30 | H8 | 172.4° | 60.0° |
| N28 | C29 | C30 | H9 | 21.4° | 59.9° |
| C29 | N28 | C38 | H11 | 27.3° | 5.0° |
| C29 | N28 | C27 | H25 | 101.1° | 115.7° |
| C29 | N28 | C27 | H26 | 16.5° | 4.7° |
| N28 | C29 | C30 | C1 | 83.1° | 180.0° |
| C29 | N28 | C38 | H43 | 89.8° | 115.5° |
| N28 | C38 | C39 | H11 | 121.5° | 119.8° |
| N28 | C38 | C39 | H43 | 121.5° | 119.8° |
| N28 | C38 | C39 | C25 | 4.7° | 52.5° |
| C38 | N28 | C27 | C26 | 42.1° | 55.8° |
| N28 | C38 | H11 | H43 | 115.4° | 120.4° |
| N28 | C38 | C39 | H12 | 126.3° | 67.4° |
| C38 | N28 | C27 | H25 | 79.1° | 64.0° |
| C38 | N28 | C27 | H26 | 163.3° | 175.6° |
| N28 | C38 | C39 | H44 | 116.9° | 172.5° |
| C39 | C38 | N28 | C27 | 31.1° | 55.5° |
| C38 | C39 | C25 | H12 | 121.6° | 119.9° |
| C38 | C39 | C25 | H44 | 121.6° | 120.0° |
| C38 | C39 | C25 | C40 | 124.5° | 171.3° |
| C38 | C39 | C25 | C26 | 27.4° | 57.8° |
| C38 | C39 | C25 | C24 | 147.1° | 73.5° |
| C39 | C38 | H11 | H43 | 115.4° | 120.3° |
| C38 | C39 | H12 | H44 | 114.9° | 120.2° |
| N28 | C27 | C26 | H25 | 121.2° | 119.8° |
| N28 | C27 | C26 | H26 | 121.2° | 119.8° |
| N28 | C27 | C26 | C25 | 18.8° | 52.8° |
| C27 | N28 | C38 | H11 | 152.5° | 175.3° |
| N28 | C27 | H25 | H26 | 116.1° | 120.3° |
| N28 | C27 | C26 | H34 | 140.6° | 172.4° |
| N28 | C27 | C26 | H35 | 103.0° | 67.4° |
| C27 | N28 | C38 | H43 | 90.4° | 64.3° |
| C39 | C25 | C40 | C26 | 138.5° | 130.6° |
| C39 | C25 | C40 | C24 | 108.8° | 114.6° |
| C39 | C25 | C40 | C23 | 126.8° | 139.8° |
| C39 | C25 | C26 | C27 | 16.5° | 57.9° |
| C39 | C25 | C26 | C24 | 119.9° | 131.2° |
| C39 | C25 | C24 | C23 | 119.4° | 139.8° |
| C25 | C39 | C38 | H11 | 116.7° | 172.3° |
| C25 | C39 | H12 | H44 | 114.8° | 120.2° |
| C39 | C25 | C40 | H13 | 116.8° | 25.3° |
| C39 | C25 | C40 | H14 | 10.4° | 105.7° |
| C39 | C25 | C24 | H32 | 1.9° | 105.7° |
| C39 | C25 | C24 | H33 | 123.2° | 25.3° |
| C39 | C25 | C26 | H34 | 105.3° | 177.6° |
| C39 | C25 | C26 | H35 | 138.3° | 62.1° |
| C25 | C39 | C38 | H43 | 126.2° | 67.3° |
| C25 | C40 | C23 | H13 | 116.4° | 114.5° |
| C25 | C40 | C23 | H14 | 116.4° | 114.5° |
| C40 | C25 | C26 | C27 | 119.8° | 171.2° |
| C40 | C25 | C26 | C24 | 103.7° | 97.9° |
| C25 | C40 | C23 | C24 | 18.1° | 25.2° |
| C25 | C40 | C23 | O22 | 127.0° | 139.7° |
| C40 | C25 | C39 | H12 | 2.9° | 68.8° |
| C25 | C40 | H13 | H14 | 129.6° | 131.3° |
| C25 | C40 | C23 | H24 | 92.9° | 89.4° |
| C40 | C25 | C24 | H32 | 98.5° | 139.8° |
| C40 | C25 | C24 | H33 | 136.3° | 89.2° |
| C40 | C25 | C26 | H34 | 118.4° | 51.5° |
| C40 | C25 | C26 | H35 | 2.0° | 68.8° |
| C40 | C25 | C39 | H44 | 113.9° | 51.4° |
| C23 | C40 | C25 | C26 | 94.7° | 89.5° |
| C40 | C23 | C24 | O22 | 124.9° | 114.6° |
| C40 | C23 | C24 | H24 | 110.0° | 114.6° |
| C40 | C23 | O22 | H24 | 139.1° | 131.3° |
| C40 | C23 | O22 | C02 | 175.7° | 150.0° |
| C23 | C40 | H13 | H14 | 129.6° | 131.3° |
| C40 | C23 | C24 | H32 | 98.5° | 139.7° |
| C40 | C23 | C24 | H33 | 136.4° | 89.4° |
| C27 | C26 | C25 | H34 | 121.8° | 119.7° |
| C27 | C26 | C25 | H35 | 121.8° | 120.0° |
| C27 | C26 | C25 | C24 | 136.4° | 73.3° |
| C26 | C27 | H25 | H26 | 116.1° | 120.3° |
| C27 | C26 | H34 | H35 | 114.1° | 120.2° |
| C26 | C25 | C24 | C23 | 120.4° | 89.3° |
| C26 | C25 | C39 | H12 | 149.0° | 62.1° |
| C26 | C25 | C40 | H13 | 21.7° | 155.9° |
| C26 | C25 | C40 | H14 | 148.9° | 25.0° |
| C25 | C26 | C27 | H25 | 102.5° | 66.9° |
| C25 | C26 | C27 | H26 | 140.0° | 172.6° |
| C26 | C25 | C24 | H32 | 122.1° | 25.2° |
| C26 | C25 | C24 | H33 | 3.0° | 156.2° |
| C25 | C26 | H34 | H35 | 114.1° | 120.5° |
| C26 | C25 | C39 | H44 | 94.2° | 177.7° |
| C25 | C24 | C23 | H32 | 117.5° | 114.5° |
| C25 | C24 | C23 | H33 | 117.4° | 114.6° |
| C25 | C24 | C23 | O22 | 143.9° | 139.7° |
| C24 | C25 | C39 | H12 | 91.3° | 166.6° |
| C24 | C25 | C40 | H13 | 134.4° | 89.3° |
| C24 | C25 | C40 | H14 | 98.4° | 139.7° |
| C25 | C24 | C23 | H24 | 91.0° | 89.5° |
| C25 | C24 | H32 | H33 | 127.0° | 131.4° |
| C24 | C25 | C26 | H34 | 14.6° | 46.4° |
| C24 | C25 | C26 | H35 | 101.8° | 166.7° |
| C24 | C25 | C39 | H44 | 25.5° | 46.5° |
| C24 | C23 | O22 | H24 | 123.9° | 131.2° |
| C24 | C23 | O22 | C02 | 78.7° | 112.5° |
| C24 | C23 | C40 | H13 | 134.5° | 89.4° |
| C24 | C23 | C40 | H14 | 98.3° | 139.7° |
| C23 | C24 | H32 | H33 | 127.0° | 131.2° |
| C23 | O22 | C02 | N03 | 155.9° | 180.0° |
| C23 | O22 | C02 | O01 | 24.3° | 0.1° |
| O22 | C23 | C40 | H13 | 116.6° | 25.2° |
| O22 | C23 | C40 | H14 | 10.5° | 105.7° |
| O22 | C23 | C24 | H32 | 26.5° | 105.7° |
| O22 | C23 | C24 | H33 | 98.6° | 25.1° |
| O22 | C02 | N03 | O01 | 179.8° | 179.9° |
| O22 | C02 | N03 | C04 | 172.4° | 175.0° |
| C02 | O22 | C23 | H24 | 45.2° | 18.7° |
| O22 | C02 | N03 | H36 | 7.5° | 4.9° |
| C02 | N03 | C04 | H36 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 177.0° | 88.9° |
| C02 | N03 | C04 | C09 | 59.4° | 151.0° |
| C02 | N03 | C04 | H15 | 56.0° | 31.0° |
| O01 | C02 | N03 | C04 | 7.4° | 5.1° |
| O01 | C02 | N03 | H36 | 172.6° | 174.9° |
| N03 | C04 | C09 | O21 | 34.0° | 12.9° |
| N03 | C04 | C05 | C06 | 53.0° | 174.6° |
| N03 | C04 | C05 | C09 | 121.1° | 120.0° |
| N03 | C04 | C05 | H15 | 121.7° | 120.0° |
| N03 | C04 | C09 | H15 | 116.3° | 120.0° |
| N03 | C04 | C09 | N10 | 145.6° | 167.1° |
| N03 | C04 | C05 | H16 | 173.8° | 54.5° |
| N03 | C04 | C05 | H17 | 67.8° | 65.4° |
| O21 | C09 | C04 | C05 | 92.6° | 107.1° |
| O21 | C09 | C04 | N10 | 179.6° | 180.0° |
| O21 | C09 | N10 | C11 | 1.0° | 4.1° |
| O21 | C09 | C04 | H15 | 150.3° | 132.9° |
| O21 | C09 | N10 | H37 | 179.0° | 175.9° |
| C17 | C16 | N15 | H2 | 118.7° | 119.0° |
| C17 | C16 | N15 | H3 | 118.7° | 119.0° |
| C16 | C17 | C13 | H4 | 119.8° | 118.1° |
| C16 | C17 | C13 | H5 | 119.7° | 118.1° |
| C17 | C16 | N15 | C14 | 18.8° | 17.0° |
| C16 | C17 | C13 | C14 | 28.6° | 24.8° |
| C16 | C17 | C13 | C12 | 98.1° | 93.9° |
| C16 | C17 | C13 | H1 | 141.5° | 143.5° |
| C17 | C16 | H2 | H3 | 123.7° | 122.0° |
| C16 | C17 | H4 | H5 | 120.7° | 123.8° |
| C17 | C16 | N15 | H27 | 161.2° | 162.9° |
| N15 | C16 | C17 | C13 | 29.8° | 25.4° |
| C16 | N15 | C14 | H27 | 180.0° | 179.9° |
| C16 | N15 | C14 | C13 | 1.0° | 0.4° |
| C16 | N15 | C14 | O18 | 179.4° | 179.6° |
| N15 | C16 | H2 | H3 | 123.7° | 122.0° |
| N15 | C16 | C17 | H4 | 89.9° | 143.5° |
| N15 | C16 | C17 | H5 | 149.6° | 92.7° |
| C07 | C06 | C05 | C08 | 128.0° | 120.0° |
| C07 | C06 | C05 | H28 | 115.5° | 120.0° |
| C07 | C06 | C08 | H28 | 115.8° | 120.0° |
| C07 | C06 | C05 | C04 | 175.3° | 66.6° |
| C07 | C06 | C05 | H16 | 63.9° | 53.4° |
| C07 | C06 | C05 | H17 | 54.5° | 173.4° |
| C06 | C07 | H18 | H19 | 120.0° | 119.9° |
| C06 | C07 | H18 | H20 | 120.0° | 120.0° |
| C06 | C07 | H19 | H20 | 120.0° | 120.0° |
| C07 | C06 | C08 | H29 | 180.0° | 60.0° |
| C07 | C06 | C08 | H30 | 60.0° | 180.0° |
| C07 | C06 | C08 | H31 | 60.0° | 60.0° |
| C05 | C06 | C08 | H28 | 116.5° | 120.0° |
| C06 | C05 | C04 | H16 | 120.8° | 120.0° |
| C06 | C05 | C04 | H17 | 120.8° | 120.0° |
| C06 | C05 | C04 | C09 | 174.1° | 65.4° |
| C06 | C05 | C04 | H15 | 68.7° | 54.6° |
| C06 | C05 | H16 | H17 | 117.5° | 120.0° |
| C05 | C06 | C07 | H18 | 180.0° | 175.3° |
| C05 | C06 | C07 | H19 | 60.0° | 55.4° |
| C05 | C06 | C07 | H20 | 60.0° | 64.7° |
| C05 | C06 | C08 | H29 | 52.3° | 60.0° |
| C05 | C06 | C08 | H30 | 172.3° | 60.0° |
| C05 | C06 | C08 | H31 | 67.7° | 180.0° |
| C08 | C06 | C05 | C04 | 56.7° | 173.4° |
| C08 | C06 | C05 | H16 | 64.2° | 66.6° |
| C08 | C06 | C05 | H17 | 177.4° | 53.4° |
| C08 | C06 | C07 | H18 | 51.4° | 64.7° |
| C08 | C06 | C07 | H19 | 171.3° | 175.4° |
| C08 | C06 | C07 | H20 | 68.7° | 55.4° |
| C06 | C08 | H29 | H30 | 120.0° | 120.0° |
| C06 | C08 | H29 | H31 | 120.0° | 120.0° |
| C06 | C08 | H30 | H31 | 120.0° | 120.0° |
| C17 | C13 | C14 | N15 | 17.1° | 16.3° |
| C17 | C13 | C14 | C12 | 122.6° | 118.7° |
| C17 | C13 | C14 | H1 | 113.1° | 118.8° |
| C17 | C13 | C12 | H1 | 120.2° | 122.7° |
| C17 | C13 | C14 | O18 | 162.5° | 163.7° |
| C17 | C13 | C12 | C11 | 60.1° | 178.8° |
| C13 | C17 | C16 | H2 | 88.9° | 93.6° |
| C13 | C17 | C16 | H3 | 148.6° | 144.4° |
| C13 | C17 | H4 | H5 | 120.8° | 123.8° |
| C17 | C13 | C12 | H22 | 60.9° | 58.7° |
| C17 | C13 | C12 | H23 | 178.9° | 61.2° |
| C05 | C04 | C09 | H15 | 117.0° | 120.0° |
| C05 | C04 | C09 | N10 | 87.8° | 72.9° |
| C04 | C05 | H16 | H17 | 117.5° | 120.0° |
| C04 | C05 | C06 | H28 | 59.8° | 53.4° |
| C05 | C04 | N03 | H36 | 3.0° | 91.0° |
| C04 | C09 | N10 | C11 | 178.6° | 175.9° |
| C09 | C04 | C05 | H16 | 65.1° | 174.6° |
| C09 | C04 | C05 | H17 | 53.3° | 54.6° |
| C09 | C04 | N03 | H36 | 120.5° | 29.0° |
| C04 | C09 | N10 | H37 | 1.4° | 4.1° |
| C09 | N10 | C11 | H37 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 104.7° | 157.0° |
| C09 | N10 | C11 | C19 | 129.7° | 83.0° |
| N10 | C09 | C04 | H15 | 29.2° | 47.1° |
| C09 | N10 | C11 | H21 | 14.7° | 37.0° |
| N15 | C14 | C13 | O18 | 179.6° | 180.0° |
| N15 | C14 | C13 | C12 | 105.5° | 102.4° |
| N15 | C14 | C13 | H1 | 130.2° | 135.1° |
| C14 | N15 | C16 | H2 | 100.0° | 102.0° |
| C14 | N15 | C16 | H3 | 137.5° | 136.0° |
| C14 | C13 | C12 | H1 | 124.1° | 122.5° |
| C14 | C13 | C12 | C11 | 175.8° | 66.4° |
| C14 | C13 | C17 | H4 | 91.2° | 142.9° |
| C14 | C13 | C17 | H5 | 148.3° | 93.3° |
| C14 | C13 | C12 | H22 | 54.8° | 173.5° |
| C14 | C13 | C12 | H23 | 63.2° | 53.6° |
| C13 | C14 | N15 | H27 | 179.0° | 179.6° |
| C13 | C12 | C11 | N10 | 41.3° | 67.8° |
| C12 | C13 | C14 | O18 | 74.9° | 77.6° |
| C13 | C12 | C11 | H22 | 121.0° | 120.0° |
| C13 | C12 | C11 | H23 | 121.0° | 119.9° |
| C13 | C12 | C11 | C19 | 166.5° | 172.2° |
| C12 | C13 | C17 | H4 | 142.1° | 24.2° |
| C12 | C13 | C17 | H5 | 21.6° | 148.0° |
| C13 | C12 | C11 | H21 | 78.5° | 52.2° |
| C13 | C12 | H22 | H23 | 116.9° | 119.9° |
| N10 | C11 | C12 | C19 | 125.3° | 120.0° |
| N10 | C11 | C12 | H21 | 119.8° | 120.0° |
| N10 | C11 | C19 | H21 | 115.5° | 120.0° |
| N10 | C11 | C19 | O20 | 59.1° | 66.8° |
| N10 | C11 | C19 | H6 | 101.5° | 53.3° |
| N10 | C11 | C12 | H22 | 162.3° | 172.2° |
| N10 | C11 | C12 | H23 | 79.7° | 52.1° |
| N10 | C11 | C19 | S1 | 26.6° | 173.3° |
| O18 | C14 | C13 | H1 | 49.4° | 44.9° |
| O18 | C14 | N15 | H27 | 0.6° | 0.5° |
| C12 | C11 | C19 | H21 | 115.0° | 120.0° |
| C12 | C11 | C19 | O20 | 171.4° | 53.3° |
| C11 | C12 | C13 | H1 | 60.1° | 56.1° |
| C12 | C11 | C19 | H6 | 28.1° | 173.3° |
| C11 | C12 | H22 | H23 | 116.9° | 120.0° |
| C12 | C11 | N10 | H37 | 75.3° | 23.0° |
| C12 | C11 | C19 | S1 | 102.9° | 66.7° |
| C11 | C19 | O20 | H6 | 159.5° | 120.0° |
| C11 | C19 | O20 | S1 | 60.7° | 120.0° |
| C11 | C19 | H6 | S1 | 57.0° | 120.0° |
| C19 | C11 | C12 | H22 | 72.5° | 52.2° |
| C19 | C11 | C12 | H23 | 45.6° | 67.9° |
| C19 | C11 | N10 | H37 | 50.3° | 97.0° |
| C11 | C19 | O20 | H38 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 90.0° | 58.5° |
| C11 | C19 | S1 | O2 | 90.0° | 164.8° |
| C11 | C19 | S1 | O3 | 90.0° | 53.1° |
| O20 | C19 | H6 | S1 | 100.7° | 120.0° |
| O20 | C19 | C11 | H21 | 56.5° | 173.2° |
| O20 | C19 | S1 | O1 | 90.0° | 61.5° |
| O20 | C19 | S1 | O2 | 90.0° | 75.3° |
| O20 | C19 | S1 | O3 | 90.0° | 173.1° |
| H1 | C13 | C17 | H4 | 21.7° | 98.4° |
| H1 | C13 | C17 | H5 | 98.8° | 25.4° |
| H1 | C13 | C12 | H22 | 178.9° | 63.9° |
| H1 | C13 | C12 | H23 | 60.9° | 176.1° |
| H2 | C16 | C17 | H4 | 151.4° | 24.5° |
| H2 | C16 | C17 | H5 | 30.8° | 148.3° |
| H2 | C16 | N15 | H27 | 80.0° | 78.0° |
| H3 | C16 | C17 | H4 | 28.8° | 97.5° |
| H3 | C16 | C17 | H5 | 91.7° | 26.3° |
| H3 | C16 | N15 | H27 | 42.5° | 44.0° |
| H6 | C19 | C11 | H21 | 143.0° | 66.7° |
| H6 | C19 | O20 | H38 | 20.5° | 60.0° |
| H6 | C19 | S1 | O1 | 90.0° | 178.5° |
| H6 | C19 | S1 | O2 | 90.0° | 44.8° |
| H6 | C19 | S1 | O3 | 90.0° | 66.9° |
| H8 | C30 | H9 | C1 | 154.3° | 120.1° |
| H8 | C30 | C1 | C2 | 90.0° | 30.0° |
| H8 | C30 | C1 | C6 | 90.0° | 149.7° |
| H9 | C30 | C1 | C2 | 90.0° | 150.0° |
| H9 | C30 | C1 | C6 | 90.0° | 29.7° |
| H11 | C38 | C39 | H12 | 4.8° | 52.5° |
| H11 | C38 | C39 | H44 | 121.6° | 67.7° |
| H12 | C39 | C38 | H43 | 112.2° | 172.8° |
| H13 | C40 | C23 | H24 | 23.5° | 156.1° |
| H14 | C40 | C23 | H24 | 150.6° | 25.2° |
| H15 | C04 | C05 | H16 | 52.1° | 65.4° |
| H15 | C04 | C05 | H17 | 170.5° | 174.6° |
| H15 | C04 | N03 | H36 | 124.0° | 149.0° |
| H16 | C05 | C06 | H28 | 179.3° | 173.4° |
| H17 | C05 | C06 | H28 | 60.9° | 66.6° |
| H18 | C07 | H19 | H20 | 120.0° | 120.0° |
| H18 | C07 | C06 | H28 | 64.5° | 55.3° |
| H19 | C07 | C06 | H28 | 55.5° | 64.7° |
| H20 | C07 | C06 | H28 | 175.5° | 175.3° |
| H21 | C11 | C12 | H22 | 42.5° | 67.8° |
| H21 | C11 | C12 | H23 | 160.5° | 172.1° |
| H21 | C11 | N10 | H37 | 165.3° | 143.0° |
| H21 | C11 | C19 | S1 | 142.2° | 53.3° |
| H24 | C23 | C24 | H32 | 151.5° | 25.1° |
| H24 | C23 | C24 | H33 | 26.4° | 155.9° |
| H25 | C27 | C26 | H34 | 19.4° | 52.6° |
| H25 | C27 | C26 | H35 | 135.7° | 172.8° |
| H26 | C27 | C26 | H34 | 98.2° | 67.8° |
| H26 | C27 | C26 | H35 | 18.2° | 52.4° |
| H28 | C06 | C08 | H29 | 64.2° | 180.0° |
| H28 | C06 | C08 | H30 | 55.8° | 60.0° |
| H28 | C06 | C08 | H31 | 175.8° | 60.0° |
| H29 | C08 | H30 | H31 | 120.0° | 120.0° |
| H38 | O20 | C19 | S1 | 119.3° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H7 | 90.0° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H7 | 90.0° | 64.0° |
| O2 | S1 | O3 | H7 | 90.0° | 63.9° |
| C30 | C1 | C2 | C6 | 90.0° | 179.7° |
| C30 | C1 | C2 | C3 | 90.0° | 180.0° |
| C30 | C1 | C6 | C5 | 90.0° | 179.8° |
| C30 | C1 | C2 | H10 | 90.0° | 0.0° |
| C30 | C1 | C6 | H42 | 90.0° | 0.3° |
| C1 | C2 | C3 | H10 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.0° |
| C2 | C1 | C6 | C5 | 90.0° | 0.5° |
| C1 | C2 | C3 | H39 | 90.0° | 180.0° |
| C2 | C1 | C6 | H42 | 90.0° | 180.0° |
| C2 | C3 | C4 | H39 | 90.0° | 179.9° |
| C2 | C3 | C4 | C5 | 90.0° | 0.1° |
| C3 | C2 | C1 | C6 | 90.0° | 0.3° |
| C2 | C3 | C4 | H40 | 90.0° | 179.9° |
| C3 | C4 | C5 | H40 | 90.0° | 180.0° |
| C3 | C4 | C5 | C6 | 90.0° | 0.2° |
| C4 | C3 | C2 | H10 | 90.0° | 180.0° |
| C3 | C4 | C5 | H41 | 90.0° | 180.0° |
| C4 | C5 | C6 | H41 | 90.0° | 179.8° |
| C4 | C5 | C6 | C1 | 90.0° | 0.5° |
| C5 | C4 | C3 | H39 | 90.0° | 180.0° |
| C4 | C5 | C6 | H42 | 90.0° | 180.0° |
| C5 | C6 | C1 | H42 | 90.0° | 179.5° |
| C6 | C5 | C4 | H40 | 90.0° | 179.8° |
| C6 | C1 | C2 | H10 | 90.0° | 179.7° |
| C1 | C6 | C5 | H41 | 90.0° | 179.7° |
| H10 | C2 | C3 | H39 | 90.0° | 0.1° |
| H39 | C3 | C4 | H40 | 90.0° | 0.0° |
| H40 | C4 | C5 | H41 | 90.0° | 0.0° |
| H41 | C5 | C6 | H42 | 90.0° | 0.2° |
| H43 | C38 | C39 | H44 | 4.6° | 52.7° |
