AFJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C2 | sing | 1.81Å | 1.82Å | |
| S1 | C79 | sing | 1.81Å | 1.82Å | |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C5 | C8 | sing | 1.53Å | 1.56Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C30 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | N10 | sing | 1.46Å | 1.47Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N10 | C12 | sing | 1.35Å | 1.36Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C17 | sing | 1.53Å | 1.56Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C20 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C26 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| O31 | C30 | doub | 1.21Å | 1.23Å | |
| C30 | N32 | sing | 1.35Å | 1.36Å | |
| C34 | N32 | sing | 1.46Å | 1.47Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C36 | C34 | sing | 1.53Å | 1.56Å | |
| C34 | C66 | sing | 1.53Å | 1.56Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | C36 | sing | 1.53Å | 1.57Å | |
| C36 | O38 | sing | 1.43Å | 1.44Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| O38 | HO38 | sing | 0.97Å | 0.95Å | |
| C43 | C40 | sing | 1.53Å | 1.56Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C49 | C43 | sing | 1.51Å | 1.52Å | |
| C45 | C43 | sing | 1.53Å | 1.55Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å | |
| N51 | C49 | sing | 1.35Å | 1.35Å | |
| O50 | C49 | doub | 1.21Å | 1.23Å | |
| C53 | N51 | sing | 1.47Å | 1.46Å | |
| N51 | HN51 | sing | 0.97Å | 1.00Å | |
| C56 | C53 | sing | 1.53Å | 1.54Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C59 | C56 | sing | 1.53Å | 1.55Å | |
| C56 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H56A | sing | 1.09Å | 1.10Å | |
| C62 | C59 | sing | 1.53Å | 1.54Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C59 | H59A | sing | 1.09Å | 1.10Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| C62 | H62B | sing | 1.09Å | 1.10Å | |
| C66 | C69 | sing | 1.53Å | 1.57Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| C71 | C69 | sing | 1.53Å | 1.56Å | |
| C69 | C75 | sing | 1.53Å | 1.56Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C71 | H71 | sing | 1.09Å | 1.10Å | |
| C71 | H71A | sing | 1.09Å | 1.10Å | |
| C71 | H71B | sing | 1.09Å | 1.10Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H75A | sing | 1.09Å | 1.10Å | |
| C75 | H75B | sing | 1.09Å | 1.10Å | |
| C79 | H79 | sing | 1.09Å | 1.10Å | |
| C79 | H79A | sing | 1.09Å | 1.10Å | |
| C79 | H79B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | S1 | C79 | 99.6° | 103.0° |
| S1 | C2 | C5 | 110.4° | 109.5° |
| S1 | C2 | H2 | 109.2° | 109.5° |
| S1 | C2 | H2A | 109.0° | 109.5° |
| S1 | C79 | H79 | 109.5° | 109.4° |
| S1 | C79 | H79A | 109.4° | 109.4° |
| S1 | C79 | H79B | 109.4° | 109.5° |
| C5 | C2 | H2 | 109.2° | 109.4° |
| C5 | C2 | H2A | 108.9° | 109.4° |
| C2 | C5 | C8 | 113.3° | 109.5° |
| C2 | C5 | H5 | 108.2° | 109.4° |
| C2 | C5 | H5A | 107.3° | 109.4° |
| H2 | C2 | H2A | 110.2° | 109.4° |
| C8 | C5 | H5 | 108.2° | 109.5° |
| C8 | C5 | H5A | 107.4° | 109.5° |
| C5 | C8 | C30 | 112.7° | 109.5° |
| C5 | C8 | N10 | 110.8° | 109.5° |
| C5 | C8 | H8 | 106.1° | 109.5° |
| H5 | C5 | H5A | 112.5° | 109.4° |
| C30 | C8 | N10 | 108.9° | 109.5° |
| C30 | C8 | H8 | 108.1° | 109.4° |
| C8 | C30 | O31 | 120.4° | 120.0° |
| C8 | C30 | N32 | 117.1° | 120.0° |
| N10 | C8 | H8 | 110.1° | 109.5° |
| C8 | N10 | C12 | 123.7° | 120.0° |
| C8 | N10 | HN10 | 118.1° | 120.0° |
| C12 | N10 | HN10 | 118.1° | 120.0° |
| N10 | C12 | O13 | 124.3° | 120.0° |
| N10 | C12 | C14 | 116.0° | 120.0° |
| O13 | C12 | C14 | 119.7° | 120.0° |
| C12 | C14 | C17 | 114.0° | 109.5° |
| C12 | C14 | H14 | 108.0° | 109.5° |
| C12 | C14 | H14A | 107.0° | 109.5° |
| C17 | C14 | H14 | 108.0° | 109.5° |
| C17 | C14 | H14A | 107.0° | 109.5° |
| C14 | C17 | C20 | 115.8° | 109.5° |
| C14 | C17 | H17 | 107.4° | 109.4° |
| C14 | C17 | H17A | 106.0° | 109.5° |
| H14 | C14 | H14A | 113.1° | 109.4° |
| C20 | C17 | H17 | 107.4° | 109.4° |
| C20 | C17 | H17A | 106.0° | 109.5° |
| C17 | C20 | C26 | 110.1° | 109.4° |
| C17 | C20 | C22 | 110.9° | 109.5° |
| C17 | C20 | H20 | 107.7° | 109.5° |
| H17 | C17 | H17A | 114.6° | 109.5° |
| C26 | C20 | C22 | 108.3° | 109.5° |
| C26 | C20 | H20 | 110.3° | 109.4° |
| C20 | C26 | H26 | 109.5° | 109.5° |
| C20 | C26 | H26A | 109.5° | 109.4° |
| C20 | C26 | H26B | 109.4° | 109.5° |
| C22 | C20 | H20 | 109.5° | 109.5° |
| C20 | C22 | H22 | 109.5° | 109.5° |
| C20 | C22 | H22A | 109.5° | 109.4° |
| C20 | C22 | H22B | 109.4° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.5° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| O31 | C30 | N32 | 122.5° | 120.0° |
| C30 | N32 | C34 | 123.1° | 120.0° |
| C30 | N32 | HN32 | 118.4° | 119.9° |
| C34 | N32 | HN32 | 118.4° | 120.0° |
| N32 | C34 | C36 | 110.0° | 109.5° |
| N32 | C34 | C66 | 111.1° | 109.4° |
| N32 | C34 | H34 | 110.4° | 109.5° |
| C36 | C34 | C66 | 115.6° | 109.4° |
| C36 | C34 | H34 | 105.3° | 109.5° |
| C34 | C36 | C40 | 115.9° | 109.4° |
| C34 | C36 | O38 | 111.3° | 109.5° |
| C34 | C36 | H36 | 104.2° | 109.5° |
| C66 | C34 | H34 | 104.1° | 109.5° |
| C34 | C66 | C69 | 115.3° | 109.5° |
| C34 | C66 | H66 | 107.6° | 109.5° |
| C34 | C66 | H66A | 106.3° | 109.5° |
| C40 | C36 | O38 | 111.6° | 109.5° |
| C40 | C36 | H36 | 103.9° | 109.4° |
| C36 | C40 | C43 | 115.5° | 109.5° |
| C36 | C40 | H40 | 107.5° | 109.5° |
| C36 | C40 | H40A | 106.1° | 109.5° |
| O38 | C36 | H36 | 109.2° | 109.5° |
| C36 | O38 | HO38 | 109.5° | 114.0° |
| C43 | C40 | H40 | 107.5° | 109.4° |
| C43 | C40 | H40A | 106.1° | 109.5° |
| C40 | C43 | C49 | 113.0° | 109.5° |
| C40 | C43 | C45 | 109.2° | 109.5° |
| C40 | C43 | H43 | 106.8° | 109.5° |
| H40 | C40 | H40A | 114.3° | 109.5° |
| C49 | C43 | C45 | 107.9° | 109.5° |
| C49 | C43 | H43 | 108.1° | 109.4° |
| C43 | C49 | N51 | 117.0° | 120.0° |
| C43 | C49 | O50 | 119.8° | 120.0° |
| C45 | C43 | H43 | 111.9° | 109.5° |
| C43 | C45 | H45 | 109.5° | 109.4° |
| C43 | C45 | H45A | 109.5° | 109.4° |
| C43 | C45 | H45B | 109.4° | 109.4° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H45 | C45 | H45B | 109.5° | 109.5° |
| H45A | C45 | H45B | 109.5° | 109.5° |
| N51 | C49 | O50 | 123.2° | 120.0° |
| C49 | N51 | C53 | 122.3° | 120.0° |
| C49 | N51 | HN51 | 118.9° | 120.0° |
| C53 | N51 | HN51 | 118.9° | 120.1° |
| N51 | C53 | C56 | 112.1° | 109.4° |
| N51 | C53 | H53 | 108.6° | 109.4° |
| N51 | C53 | H53A | 108.0° | 109.5° |
| C56 | C53 | H53 | 108.6° | 109.5° |
| C56 | C53 | H53A | 108.0° | 109.5° |
| C53 | C56 | C59 | 110.9° | 109.4° |
| C53 | C56 | H56 | 109.0° | 109.5° |
| C53 | C56 | H56A | 108.7° | 109.5° |
| H53 | C53 | H53A | 111.6° | 109.5° |
| C59 | C56 | H56 | 109.0° | 109.5° |
| C59 | C56 | H56A | 108.7° | 109.5° |
| C56 | C59 | C62 | 112.4° | 109.5° |
| C56 | C59 | H59 | 108.5° | 109.5° |
| C56 | C59 | H59A | 107.8° | 109.5° |
| H56 | C56 | H56A | 110.6° | 109.5° |
| C62 | C59 | H59 | 108.5° | 109.4° |
| C62 | C59 | H59A | 107.8° | 109.5° |
| C59 | C62 | H62 | 109.5° | 109.4° |
| C59 | C62 | H62A | 109.4° | 109.5° |
| C59 | C62 | H62B | 109.5° | 109.5° |
| H59 | C59 | H59A | 111.8° | 109.5° |
| H62 | C62 | H62A | 109.4° | 109.5° |
| H62 | C62 | H62B | 109.4° | 109.5° |
| H62A | C62 | H62B | 109.5° | 109.5° |
| C69 | C66 | H66 | 107.6° | 109.5° |
| C69 | C66 | H66A | 106.3° | 109.5° |
| C66 | C69 | C71 | 113.2° | 109.5° |
| C66 | C69 | C75 | 109.7° | 109.4° |
| C66 | C69 | H69 | 106.8° | 109.4° |
| H66 | C66 | H66A | 114.1° | 109.4° |
| C71 | C69 | C75 | 109.6° | 109.5° |
| C71 | C69 | H69 | 106.9° | 109.5° |
| C69 | C71 | H71 | 109.5° | 109.5° |
| C69 | C71 | H71A | 109.5° | 109.5° |
| C69 | C71 | H71B | 109.5° | 109.5° |
| C75 | C69 | H69 | 110.6° | 109.5° |
| C69 | C75 | H75 | 109.5° | 109.5° |
| C69 | C75 | H75A | 109.5° | 109.4° |
| C69 | C75 | H75B | 109.4° | 109.5° |
| H71 | C71 | H71A | 109.4° | 109.4° |
| H71 | C71 | H71B | 109.5° | 109.5° |
| H71A | C71 | H71B | 109.5° | 109.5° |
| H75 | C75 | H75A | 109.4° | 109.5° |
| H75 | C75 | H75B | 109.5° | 109.4° |
| H75A | C75 | H75B | 109.5° | 109.5° |
| H79 | C79 | H79A | 109.5° | 109.5° |
| H79 | C79 | H79B | 109.5° | 109.5° |
| H79A | C79 | H79B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C2 | C5 | H2 | 120.0° | 120.0° |
| S1 | C2 | C5 | H2A | 119.6° | 120.0° |
| S1 | C2 | H2 | H2A | 119.6° | 120.1° |
| S1 | C2 | C5 | C8 | 176.6° | 180.0° |
| S1 | C2 | C5 | H5 | 56.7° | 60.0° |
| S1 | C2 | C5 | H5A | 65.0° | 60.0° |
| C2 | S1 | C79 | H79 | 6.4° | 180.0° |
| C2 | S1 | C79 | H79A | 113.6° | 60.0° |
| C2 | S1 | C79 | H79B | 126.4° | 60.0° |
| C79 | S1 | C2 | C5 | 154.9° | 180.0° |
| C79 | S1 | C2 | H2 | 34.9° | 60.0° |
| C79 | S1 | C2 | H2A | 85.5° | 60.0° |
| S1 | C79 | H79 | H79A | 120.0° | 120.0° |
| S1 | C79 | H79 | H79B | 120.0° | 120.0° |
| S1 | C79 | H79A | H79B | 120.0° | 120.0° |
| C5 | C2 | H2 | H2A | 119.6° | 119.9° |
| C2 | C5 | C8 | H5 | 120.0° | 120.0° |
| C2 | C5 | C8 | H5A | 118.3° | 120.0° |
| C2 | C5 | H5 | H5A | 118.4° | 119.9° |
| C2 | C5 | C8 | C30 | 161.3° | 175.0° |
| C2 | C5 | C8 | N10 | 76.3° | 65.0° |
| C2 | C5 | C8 | H8 | 43.2° | 55.0° |
| H2 | C2 | C5 | C8 | 63.3° | 59.9° |
| H2 | C2 | C5 | H5 | 176.7° | 180.0° |
| H2 | C2 | C5 | H5A | 55.0° | 60.1° |
| H2A | C2 | C5 | C8 | 57.0° | 60.0° |
| H2A | C2 | C5 | H5 | 63.0° | 60.1° |
| H2A | C2 | C5 | H5A | 175.4° | 180.0° |
| C8 | C5 | H5 | H5A | 118.4° | 120.1° |
| C5 | C8 | C30 | N10 | 123.4° | 120.0° |
| C5 | C8 | C30 | H8 | 117.0° | 120.0° |
| C5 | C8 | N10 | H8 | 117.1° | 120.0° |
| C5 | C8 | N10 | C12 | 94.2° | 85.0° |
| C5 | C8 | N10 | HN10 | 85.8° | 94.9° |
| C5 | C8 | C30 | O31 | 14.9° | 120.0° |
| C5 | C8 | C30 | N32 | 165.0° | 60.0° |
| H5 | C5 | C8 | C30 | 41.4° | 55.0° |
| H5 | C5 | C8 | N10 | 163.7° | 175.0° |
| H5 | C5 | C8 | H8 | 76.8° | 65.0° |
| H5A | C5 | C8 | C30 | 80.3° | 65.0° |
| H5A | C5 | C8 | N10 | 42.1° | 55.0° |
| H5A | C5 | C8 | H8 | 161.6° | 175.0° |
| C30 | C8 | N10 | H8 | 118.3° | 120.0° |
| C30 | C8 | N10 | C12 | 141.2° | 155.0° |
| C30 | C8 | N10 | HN10 | 38.8° | 25.1° |
| C8 | C30 | O31 | N32 | 179.9° | 180.0° |
| C8 | C30 | N32 | C34 | 179.7° | 180.0° |
| C8 | C30 | N32 | HN32 | 0.3° | 0.0° |
| C8 | N10 | C12 | HN10 | 180.0° | 179.9° |
| C8 | N10 | C12 | O13 | 0.2° | 0.1° |
| C8 | N10 | C12 | C14 | 179.6° | 180.0° |
| N10 | C8 | C30 | O31 | 108.5° | 0.0° |
| N10 | C8 | C30 | N32 | 71.6° | 180.0° |
| H8 | C8 | N10 | C12 | 22.9° | 35.1° |
| H8 | C8 | N10 | HN10 | 157.1° | 145.0° |
| H8 | C8 | C30 | O31 | 131.9° | 120.0° |
| H8 | C8 | C30 | N32 | 48.0° | 60.0° |
| N10 | C12 | O13 | C14 | 179.8° | 180.0° |
| N10 | C12 | C14 | C17 | 111.9° | 180.0° |
| N10 | C12 | C14 | H14 | 8.1° | 59.9° |
| N10 | C12 | C14 | H14A | 130.1° | 60.0° |
| HN10 | N10 | C12 | O13 | 179.9° | 180.0° |
| HN10 | N10 | C12 | C14 | 0.3° | 0.1° |
| O13 | C12 | C14 | C17 | 68.3° | 0.0° |
| O13 | C12 | C14 | H14 | 171.7° | 120.0° |
| O13 | C12 | C14 | H14A | 49.7° | 120.0° |
| C12 | C14 | C17 | H14 | 120.0° | 120.0° |
| C12 | C14 | C17 | H14A | 118.0° | 120.0° |
| C12 | C14 | H14 | H14A | 118.2° | 120.0° |
| C12 | C14 | C17 | C20 | 73.8° | 180.0° |
| C12 | C14 | C17 | H17 | 166.2° | 60.0° |
| C12 | C14 | C17 | H17A | 43.3° | 60.0° |
| C17 | C14 | H14 | H14A | 118.1° | 120.0° |
| C14 | C17 | C20 | H17 | 120.0° | 119.9° |
| C14 | C17 | C20 | H17A | 117.1° | 120.0° |
| C14 | C17 | H17 | H17A | 117.4° | 120.0° |
| C14 | C17 | C20 | C26 | 86.8° | 175.0° |
| C14 | C17 | C20 | C22 | 153.4° | 65.0° |
| C14 | C17 | C20 | H20 | 33.5° | 55.1° |
| H14 | C14 | C17 | C20 | 46.2° | 60.0° |
| H14 | C14 | C17 | H17 | 73.8° | 180.0° |
| H14 | C14 | C17 | H17A | 163.3° | 60.0° |
| H14A | C14 | C17 | C20 | 168.2° | 59.9° |
| H14A | C14 | C17 | H17 | 48.2° | 60.0° |
| H14A | C14 | C17 | H17A | 74.7° | 180.0° |
| C20 | C17 | H17 | H17A | 117.4° | 120.0° |
| C17 | C20 | C26 | C22 | 121.4° | 120.0° |
| C17 | C20 | C26 | H20 | 118.8° | 120.0° |
| C17 | C20 | C22 | H20 | 118.8° | 120.0° |
| C17 | C20 | C22 | H22 | 156.3° | 180.0° |
| C17 | C20 | C22 | H22A | 83.8° | 60.0° |
| C17 | C20 | C22 | H22B | 36.2° | 60.0° |
| C17 | C20 | C26 | H26 | 63.8° | 60.0° |
| C17 | C20 | C26 | H26A | 176.2° | 179.9° |
| C17 | C20 | C26 | H26B | 56.2° | 60.1° |
| H17 | C17 | C20 | C26 | 33.2° | 65.0° |
| H17 | C17 | C20 | C22 | 86.6° | 54.9° |
| H17 | C17 | C20 | H20 | 153.5° | 175.0° |
| H17A | C17 | C20 | C26 | 156.1° | 55.0° |
| H17A | C17 | C20 | C22 | 36.3° | 175.0° |
| H17A | C17 | C20 | H20 | 83.6° | 64.9° |
| C26 | C20 | C22 | H20 | 120.4° | 120.0° |
| C26 | C20 | C22 | H22 | 82.8° | 60.1° |
| C26 | C20 | C22 | H22A | 37.1° | 180.0° |
| C26 | C20 | C22 | H22B | 157.1° | 60.0° |
| C20 | C26 | H26 | H26A | 120.0° | 119.9° |
| C20 | C26 | H26 | H26B | 120.0° | 120.1° |
| C20 | C26 | H26A | H26B | 120.0° | 120.0° |
| C20 | C22 | H22 | H22A | 120.0° | 120.0° |
| C20 | C22 | H22 | H22B | 120.0° | 120.0° |
| C20 | C22 | H22A | H22B | 120.0° | 120.0° |
| C22 | C20 | C26 | H26 | 57.6° | 180.0° |
| C22 | C20 | C26 | H26A | 62.4° | 60.0° |
| C22 | C20 | C26 | H26B | 177.6° | 59.9° |
| H20 | C20 | C22 | H22 | 37.5° | 59.9° |
| H20 | C20 | C22 | H22A | 157.5° | 60.0° |
| H20 | C20 | C22 | H22B | 82.5° | 179.9° |
| H20 | C20 | C26 | H26 | 177.4° | 59.9° |
| H20 | C20 | C26 | H26A | 57.4° | 60.0° |
| H20 | C20 | C26 | H26B | 62.6° | 180.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| O31 | C30 | N32 | C34 | 0.4° | 0.0° |
| O31 | C30 | N32 | HN32 | 179.7° | 180.0° |
| C30 | N32 | C34 | HN32 | 180.0° | 180.0° |
| C30 | N32 | C34 | C36 | 106.5° | 155.0° |
| C30 | N32 | C34 | C66 | 124.2° | 85.0° |
| C30 | N32 | C34 | H34 | 9.3° | 35.0° |
| N32 | C34 | C36 | C66 | 126.9° | 119.9° |
| N32 | C34 | C36 | H34 | 118.9° | 120.1° |
| N32 | C34 | C66 | H34 | 118.8° | 120.0° |
| N32 | C34 | C36 | C40 | 57.3° | 60.1° |
| N32 | C34 | C36 | O38 | 71.7° | 59.9° |
| N32 | C34 | C36 | H36 | 170.8° | 180.0° |
| N32 | C34 | C66 | C69 | 57.2° | 65.0° |
| N32 | C34 | C66 | H66 | 62.8° | 55.0° |
| N32 | C34 | C66 | H66A | 174.6° | 175.0° |
| HN32 | N32 | C34 | C36 | 73.6° | 24.9° |
| HN32 | N32 | C34 | C66 | 55.8° | 95.0° |
| HN32 | N32 | C34 | H34 | 170.7° | 145.0° |
| C36 | C34 | C66 | H34 | 114.9° | 120.0° |
| C34 | C36 | C40 | O38 | 128.8° | 120.0° |
| C34 | C36 | C40 | H36 | 113.7° | 120.0° |
| C34 | C36 | O38 | H36 | 114.5° | 120.1° |
| C34 | C36 | O38 | HO38 | 121.6° | 60.0° |
| C34 | C36 | C40 | C43 | 148.7° | 174.6° |
| C34 | C36 | C40 | H40 | 91.3° | 65.5° |
| C34 | C36 | C40 | H40A | 31.4° | 54.5° |
| C36 | C34 | C66 | C69 | 176.5° | 175.0° |
| C36 | C34 | C66 | H66 | 63.5° | 65.0° |
| C36 | C34 | C66 | H66A | 59.1° | 55.0° |
| C66 | C34 | C36 | C40 | 175.8° | 180.0° |
| C66 | C34 | C36 | O38 | 55.2° | 60.0° |
| C66 | C34 | C36 | H36 | 62.4° | 60.1° |
| C34 | C66 | C69 | H66 | 120.0° | 120.0° |
| C34 | C66 | C69 | H66A | 117.4° | 120.0° |
| C34 | C66 | H66 | H66A | 117.6° | 120.0° |
| C34 | C66 | C69 | C71 | 70.8° | 175.0° |
| C34 | C66 | C69 | C75 | 166.4° | 65.0° |
| C34 | C66 | C69 | H69 | 46.5° | 55.0° |
| H34 | C34 | C36 | C40 | 61.6° | 60.0° |
| H34 | C34 | C36 | O38 | 169.4° | 180.0° |
| H34 | C34 | C36 | H36 | 51.9° | 59.9° |
| H34 | C34 | C66 | C69 | 61.6° | 55.0° |
| H34 | C34 | C66 | H66 | 178.4° | 175.0° |
| H34 | C34 | C66 | H66A | 55.9° | 65.0° |
| C40 | C36 | O38 | H36 | 114.3° | 120.0° |
| C40 | C36 | O38 | HO38 | 107.2° | 59.9° |
| C36 | C40 | C43 | H40 | 120.0° | 120.0° |
| C36 | C40 | C43 | H40A | 117.3° | 120.1° |
| C36 | C40 | H40 | H40A | 117.5° | 120.0° |
| C36 | C40 | C43 | C49 | 86.3° | 66.5° |
| C36 | C40 | C43 | C45 | 153.5° | 173.4° |
| C36 | C40 | C43 | H43 | 32.4° | 53.4° |
| O38 | C36 | C40 | C43 | 82.5° | 65.5° |
| O38 | C36 | C40 | H40 | 37.5° | 54.5° |
| O38 | C36 | C40 | H40A | 160.2° | 174.5° |
| H36 | C36 | O38 | HO38 | 7.1° | 179.9° |
| H36 | C36 | C40 | C43 | 35.0° | 54.6° |
| H36 | C36 | C40 | H40 | 155.0° | 174.5° |
| H36 | C36 | C40 | H40A | 82.2° | 65.5° |
| C43 | C40 | H40 | H40A | 117.5° | 120.0° |
| C40 | C43 | C49 | C45 | 120.9° | 120.0° |
| C40 | C43 | C49 | H43 | 117.9° | 119.9° |
| C40 | C43 | C45 | H43 | 118.0° | 120.0° |
| C40 | C43 | C45 | H45 | 130.8° | 176.4° |
| C40 | C43 | C45 | H45A | 109.3° | 56.4° |
| C40 | C43 | C45 | H45B | 10.8° | 63.6° |
| C40 | C43 | C49 | N51 | 140.5° | 180.0° |
| C40 | C43 | C49 | O50 | 39.6° | 0.1° |
| H40 | C40 | C43 | C49 | 153.7° | 173.5° |
| H40 | C40 | C43 | C45 | 33.5° | 53.4° |
| H40 | C40 | C43 | H43 | 87.6° | 66.6° |
| H40A | C40 | C43 | C49 | 31.0° | 53.5° |
| H40A | C40 | C43 | C45 | 89.2° | 66.5° |
| H40A | C40 | C43 | H43 | 149.7° | 173.4° |
| C49 | C43 | C45 | H43 | 118.8° | 120.0° |
| C49 | C43 | C45 | H45 | 7.6° | 63.6° |
| C49 | C43 | C45 | H45A | 127.5° | 176.4° |
| C49 | C43 | C45 | H45B | 112.4° | 56.4° |
| C43 | C49 | N51 | O50 | 179.9° | 179.9° |
| C43 | C49 | N51 | C53 | 179.3° | 180.0° |
| C43 | C49 | N51 | HN51 | 0.7° | 0.1° |
| C43 | C45 | H45 | H45A | 120.0° | 120.0° |
| C43 | C45 | H45 | H45B | 120.0° | 119.9° |
| C43 | C45 | H45A | H45B | 120.0° | 120.0° |
| C45 | C43 | C49 | N51 | 98.6° | 60.0° |
| C45 | C43 | C49 | O50 | 81.3° | 120.0° |
| H43 | C43 | C45 | H45 | 111.2° | 56.4° |
| H43 | C43 | C45 | H45A | 8.7° | 63.6° |
| H43 | C43 | C45 | H45B | 128.8° | 176.4° |
| H43 | C43 | C49 | N51 | 22.6° | 60.1° |
| H43 | C43 | C49 | O50 | 157.5° | 120.0° |
| H45 | C45 | H45A | H45B | 120.0° | 120.1° |
| C49 | N51 | C53 | HN51 | 180.0° | 180.0° |
| C49 | N51 | C53 | C56 | 169.9° | 180.0° |
| C49 | N51 | C53 | H53 | 49.9° | 60.0° |
| C49 | N51 | C53 | H53A | 71.2° | 60.0° |
| O50 | C49 | N51 | C53 | 0.7° | 0.1° |
| O50 | C49 | N51 | HN51 | 179.4° | 180.0° |
| N51 | C53 | C56 | H53 | 120.0° | 119.9° |
| N51 | C53 | C56 | H53A | 118.9° | 120.0° |
| N51 | C53 | H53 | H53A | 118.9° | 120.0° |
| N51 | C53 | C56 | C59 | 162.0° | 180.0° |
| N51 | C53 | C56 | H56 | 78.0° | 60.1° |
| N51 | C53 | C56 | H56A | 42.6° | 60.0° |
| HN51 | N51 | C53 | C56 | 10.0° | 0.0° |
| HN51 | N51 | C53 | H53 | 130.0° | 120.0° |
| HN51 | N51 | C53 | H53A | 108.8° | 120.0° |
| C56 | C53 | H53 | H53A | 118.9° | 120.1° |
| C53 | C56 | C59 | H56 | 120.0° | 120.0° |
| C53 | C56 | C59 | H56A | 119.4° | 120.0° |
| C53 | C56 | H56 | H56A | 119.4° | 120.0° |
| C53 | C56 | C59 | C62 | 75.9° | 180.0° |
| C53 | C56 | C59 | H59 | 164.0° | 60.0° |
| C53 | C56 | C59 | H59A | 42.8° | 60.0° |
| H53 | C53 | C56 | C59 | 42.0° | 60.0° |
| H53 | C53 | C56 | H56 | 162.0° | 180.0° |
| H53 | C53 | C56 | H56A | 77.4° | 59.9° |
| H53A | C53 | C56 | C59 | 79.2° | 60.1° |
| H53A | C53 | C56 | H56 | 40.8° | 59.9° |
| H53A | C53 | C56 | H56A | 161.4° | 180.0° |
| C59 | C56 | H56 | H56A | 119.4° | 120.0° |
| C56 | C59 | C62 | H59 | 120.0° | 120.0° |
| C56 | C59 | C62 | H59A | 118.7° | 120.0° |
| C56 | C59 | H59 | H59A | 118.8° | 120.0° |
| C56 | C59 | C62 | H62 | 7.3° | 60.0° |
| C56 | C59 | C62 | H62A | 112.7° | 60.0° |
| C56 | C59 | C62 | H62B | 127.3° | 180.0° |
| H56 | C56 | C59 | C62 | 44.0° | 60.0° |
| H56 | C56 | C59 | H59 | 76.0° | 180.0° |
| H56 | C56 | C59 | H59A | 162.7° | 60.0° |
| H56A | C56 | C59 | C62 | 164.6° | 60.0° |
| H56A | C56 | C59 | H59 | 44.6° | 59.9° |
| H56A | C56 | C59 | H59A | 76.7° | 180.0° |
| C62 | C59 | H59 | H59A | 118.8° | 120.0° |
| C59 | C62 | H62 | H62A | 120.0° | 120.0° |
| C59 | C62 | H62 | H62B | 120.0° | 120.0° |
| C59 | C62 | H62A | H62B | 120.0° | 120.1° |
| H59 | C59 | C62 | H62 | 127.3° | 180.0° |
| H59 | C59 | C62 | H62A | 7.3° | 60.0° |
| H59 | C59 | C62 | H62B | 112.7° | 60.0° |
| H59A | C59 | C62 | H62 | 111.4° | 60.0° |
| H59A | C59 | C62 | H62A | 128.6° | 180.0° |
| H59A | C59 | C62 | H62B | 8.6° | 60.0° |
| H62 | C62 | H62A | H62B | 120.0° | 120.0° |
| C69 | C66 | H66 | H66A | 117.6° | 120.0° |
| C66 | C69 | C71 | C75 | 122.8° | 120.0° |
| C66 | C69 | C71 | H69 | 117.3° | 119.9° |
| C66 | C69 | C75 | H69 | 117.5° | 119.9° |
| C66 | C69 | C71 | H71 | 159.7° | 60.0° |
| C66 | C69 | C71 | H71A | 39.7° | 179.9° |
| C66 | C69 | C71 | H71B | 80.3° | 60.0° |
| C66 | C69 | C75 | H75 | 62.5° | 60.0° |
| C66 | C69 | C75 | H75A | 177.5° | 180.0° |
| C66 | C69 | C75 | H75B | 57.5° | 60.0° |
| H66 | C66 | C69 | C71 | 169.2° | 55.0° |
| H66 | C66 | C69 | C75 | 46.4° | 175.0° |
| H66 | C66 | C69 | H69 | 73.5° | 65.0° |
| H66A | C66 | C69 | C71 | 46.6° | 65.0° |
| H66A | C66 | C69 | C75 | 76.2° | 55.0° |
| H66A | C66 | C69 | H69 | 163.9° | 175.0° |
| C71 | C69 | C75 | H69 | 117.6° | 120.1° |
| C69 | C71 | H71 | H71A | 120.0° | 119.9° |
| C69 | C71 | H71 | H71B | 120.0° | 120.1° |
| C69 | C71 | H71A | H71B | 120.0° | 120.1° |
| C71 | C69 | C75 | H75 | 62.3° | 180.0° |
| C71 | C69 | C75 | H75A | 57.6° | 60.1° |
| C71 | C69 | C75 | H75B | 177.6° | 60.0° |
| C75 | C69 | C71 | H71 | 36.9° | 59.9° |
| C75 | C69 | C71 | H71A | 83.1° | 60.0° |
| C75 | C69 | C71 | H71B | 156.9° | 180.0° |
| C69 | C75 | H75 | H75A | 120.0° | 120.0° |
| C69 | C75 | H75 | H75B | 120.0° | 120.0° |
| C69 | C75 | H75A | H75B | 120.0° | 120.0° |
| H69 | C69 | C71 | H71 | 83.0° | 180.0° |
| H69 | C69 | C71 | H71A | 157.0° | 60.1° |
| H69 | C69 | C71 | H71B | 37.0° | 59.9° |
| H69 | C69 | C75 | H75 | 179.9° | 59.9° |
| H69 | C69 | C75 | H75A | 60.0° | 60.0° |
| H69 | C69 | C75 | H75B | 60.0° | 179.9° |
| H71 | C71 | H71A | H71B | 120.0° | 120.0° |
| H75 | C75 | H75A | H75B | 120.0° | 120.0° |
| H79 | C79 | H79A | H79B | 120.0° | 120.1° |
