PB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C56 | O54 | sing | 1.45Å | 1.43Å | |
| O54 | C53 | sing | 1.35Å | 1.34Å | |
| C53 | O55 | doub | 1.21Å | 1.20Å | |
| C53 | N41 | sing | 1.35Å | 1.37Å | |
| C42 | N41 | sing | 1.47Å | 1.47Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| N41 | C40 | sing | 1.47Å | 1.48Å | |
| C43 | C36 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C36 | C39 | sing | 1.53Å | 1.55Å | |
| C35 | N20 | sing | 1.47Å | 1.46Å | |
| O24 | S22 | doub | 1.42Å | 1.43Å | |
| N20 | S22 | sing | 1.66Å | 1.82Å | |
| N20 | C12 | sing | 1.46Å | 1.52Å | |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| S22 | C23 | sing | 1.76Å | 1.77Å | |
| S22 | O25 | doub | 1.42Å | 1.43Å | |
| C29 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C23 | N26 | doub | 1.32Å | 1.36Å | Aromatic |
| C11 | N10 | sing | 1.46Å | 1.48Å | |
| C13 | C4 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| N26 | C27 | sing | 1.32Å | 1.36Å | Aromatic |
| N10 | C60 | sing | 1.47Å | 1.48Å | |
| N10 | C3 | sing | 1.39Å | 1.41Å | |
| C4 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C60 | C61 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | sing | 1.40Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C68 | N67 | sing | 1.47Å | 1.48Å | |
| C61 | N67 | sing | 1.37Å | 1.48Å | Aromatic |
| C61 | C64 | doub | 1.35Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.37Å | 1.42Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C18 | sing | 1.43Å | 1.44Å | |
| N67 | C66 | sing | 1.35Å | 1.36Å | Aromatic |
| C64 | N65 | sing | 1.34Å | 1.47Å | Aromatic |
| C18 | N19 | trip | 1.14Å | 1.16Å | |
| C66 | N65 | doub | 1.31Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C56 | H563 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C68 | H683 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C56 | O54 | C53 | 118.4° | 116.9° |
| O54 | C56 | H561 | 109.5° | 109.5° |
| O54 | C56 | H562 | 109.4° | 109.4° |
| O54 | C56 | H563 | 109.4° | 109.5° |
| O54 | C53 | O55 | 122.2° | 120.0° |
| O54 | C53 | N41 | 116.2° | 120.0° |
| O55 | C53 | N41 | 121.6° | 120.0° |
| C53 | N41 | C42 | 120.3° | 120.6° |
| C53 | N41 | C40 | 122.9° | 120.6° |
| N41 | C42 | C43 | 109.9° | 108.8° |
| C42 | N41 | C40 | 116.7° | 118.8° |
| N41 | C42 | H421 | 109.3° | 109.6° |
| N41 | C42 | H422 | 109.2° | 109.6° |
| C42 | C43 | C36 | 110.1° | 109.3° |
| C43 | C42 | H421 | 109.3° | 109.6° |
| C43 | C42 | H422 | 109.2° | 109.6° |
| C42 | C43 | H431 | 109.3° | 109.5° |
| C42 | C43 | H432 | 109.1° | 109.5° |
| N41 | C40 | C39 | 111.6° | 108.8° |
| N41 | C40 | H401 | 108.7° | 109.6° |
| N41 | C40 | H402 | 108.3° | 109.7° |
| C43 | C36 | C35 | 105.1° | 109.5° |
| C43 | C36 | C39 | 111.4° | 109.5° |
| C43 | C36 | H36 | 113.2° | 109.5° |
| C36 | C43 | H431 | 109.3° | 109.5° |
| C36 | C43 | H432 | 109.2° | 109.5° |
| C40 | C39 | C36 | 111.9° | 109.3° |
| C40 | C39 | H391 | 108.7° | 109.5° |
| C40 | C39 | H392 | 108.1° | 109.5° |
| C39 | C40 | H401 | 108.8° | 109.6° |
| C39 | C40 | H402 | 108.3° | 109.6° |
| C35 | C36 | C39 | 115.1° | 109.4° |
| C36 | C35 | N20 | 118.3° | 109.4° |
| C36 | C35 | H351 | 106.6° | 109.5° |
| C36 | C35 | H352 | 104.6° | 109.5° |
| C35 | C36 | H36 | 109.4° | 109.5° |
| C39 | C36 | H36 | 102.8° | 109.5° |
| C36 | C39 | H391 | 108.6° | 109.5° |
| C36 | C39 | H392 | 108.1° | 109.5° |
| C35 | N20 | S22 | 119.3° | 120.1° |
| C35 | N20 | C12 | 114.1° | 120.0° |
| N20 | C35 | H351 | 106.6° | 109.4° |
| N20 | C35 | H352 | 104.6° | 109.5° |
| O24 | S22 | N20 | 106.9° | 106.4° |
| O24 | S22 | C23 | 107.0° | 106.4° |
| O24 | S22 | O25 | 119.7° | 123.2° |
| S22 | N20 | C12 | 126.5° | 120.0° |
| N20 | S22 | C23 | 107.2° | 107.2° |
| N20 | S22 | O25 | 105.4° | 106.4° |
| N20 | C12 | C11 | 112.9° | 109.8° |
| N20 | C12 | C13 | 114.8° | 109.8° |
| N20 | C12 | H12 | 104.1° | 109.8° |
| C29 | C30 | C23 | 118.4° | 119.1° |
| C30 | C29 | C28 | 119.8° | 118.4° |
| C30 | C29 | H29 | 120.1° | 120.8° |
| C29 | C30 | H30 | 120.8° | 120.4° |
| C30 | C23 | S22 | 118.0° | 119.6° |
| C30 | C23 | N26 | 122.5° | 120.8° |
| C23 | C30 | H30 | 120.8° | 120.4° |
| C23 | S22 | O25 | 110.0° | 106.4° |
| S22 | C23 | N26 | 119.4° | 119.6° |
| C29 | C28 | C27 | 117.6° | 119.2° |
| C29 | C28 | H28 | 121.2° | 120.4° |
| C28 | C29 | H29 | 120.1° | 120.8° |
| C11 | C12 | C13 | 112.6° | 107.9° |
| C12 | C11 | N10 | 115.5° | 108.7° |
| C12 | C11 | H111 | 107.5° | 109.6° |
| C12 | C11 | H112 | 106.1° | 109.8° |
| C11 | C12 | H12 | 106.8° | 109.8° |
| C12 | C13 | C4 | 112.9° | 109.6° |
| C13 | C12 | H12 | 104.5° | 109.8° |
| C12 | C13 | H131 | 108.4° | 109.4° |
| C12 | C13 | H132 | 107.6° | 109.4° |
| C23 | N26 | C27 | 119.0° | 121.7° |
| C11 | N10 | C60 | 115.0° | 111.0° |
| C11 | N10 | C3 | 122.1° | 113.2° |
| N10 | C11 | H111 | 107.5° | 109.6° |
| N10 | C11 | H112 | 106.1° | 109.6° |
| C13 | C4 | C3 | 120.9° | 122.0° |
| C13 | C4 | C5 | 119.5° | 118.0° |
| C4 | C13 | H131 | 108.3° | 109.5° |
| C4 | C13 | H132 | 107.6° | 109.5° |
| C28 | C27 | N26 | 122.3° | 120.8° |
| C28 | C27 | H27 | 118.8° | 119.6° |
| C27 | C28 | H28 | 121.2° | 120.4° |
| N26 | C27 | H27 | 118.8° | 119.6° |
| C60 | N10 | C3 | 122.9° | 111.0° |
| N10 | C60 | C61 | 112.0° | 109.5° |
| N10 | C60 | H601 | 108.6° | 109.5° |
| N10 | C60 | H602 | 108.0° | 109.5° |
| N10 | C3 | C4 | 120.5° | 122.9° |
| N10 | C3 | C2 | 121.8° | 117.4° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C4 | C3 | C2 | 117.6° | 119.6° |
| C4 | C5 | C6 | 121.2° | 120.4° |
| C4 | C5 | H5 | 119.4° | 119.8° |
| C60 | C61 | N67 | 126.1° | 126.6° |
| C60 | C61 | C64 | 128.6° | 126.5° |
| C61 | C60 | H601 | 108.6° | 109.4° |
| C61 | C60 | H602 | 108.0° | 109.4° |
| C3 | C2 | C1 | 122.2° | 120.6° |
| C3 | C2 | H2 | 118.9° | 119.7° |
| C5 | C6 | C1 | 119.6° | 119.5° |
| C5 | C6 | C18 | 120.5° | 120.2° |
| C6 | C5 | H5 | 119.4° | 119.8° |
| C68 | N67 | C61 | 124.7° | 126.4° |
| C68 | N67 | C66 | 128.3° | 126.4° |
| N67 | C68 | H681 | 109.5° | 109.5° |
| N67 | C68 | H682 | 109.5° | 109.5° |
| N67 | C68 | H683 | 109.5° | 109.4° |
| N67 | C61 | C64 | 105.2° | 106.8° |
| C61 | N67 | C66 | 107.0° | 107.2° |
| C61 | C64 | N65 | 110.0° | 108.0° |
| C61 | C64 | H64 | 125.0° | 126.0° |
| C2 | C1 | C6 | 119.5° | 119.8° |
| C2 | C1 | H1 | 120.3° | 120.1° |
| C1 | C2 | H2 | 118.9° | 119.7° |
| C1 | C6 | C18 | 119.8° | 120.2° |
| C6 | C1 | H1 | 120.3° | 120.1° |
| C6 | C18 | N19 | 177.6° | 180.0° |
| N67 | C66 | N65 | 112.6° | 108.7° |
| N67 | C66 | H66 | 123.7° | 125.7° |
| C64 | N65 | C66 | 105.1° | 109.3° |
| N65 | C64 | H64 | 125.0° | 126.0° |
| N65 | C66 | H66 | 123.7° | 125.6° |
| H111 | C11 | H112 | 114.3° | 109.6° |
| H131 | C13 | H132 | 112.2° | 109.4° |
| H351 | C35 | H352 | 116.7° | 109.5° |
| H391 | C39 | H392 | 111.4° | 109.5° |
| H401 | C40 | H402 | 111.2° | 109.6° |
| H421 | C42 | H422 | 109.8° | 109.7° |
| H431 | C43 | H432 | 109.9° | 109.5° |
| H561 | C56 | H562 | 109.5° | 109.5° |
| H561 | C56 | H563 | 109.5° | 109.5° |
| H562 | C56 | H563 | 109.5° | 109.5° |
| H601 | C60 | H602 | 111.5° | 109.5° |
| H681 | C68 | H682 | 109.5° | 109.5° |
| H681 | C68 | H683 | 109.5° | 109.4° |
| H682 | C68 | H683 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C56 | O54 | C53 | O55 | 23.2° | 0.0° |
| C56 | O54 | C53 | N41 | 157.6° | 180.0° |
| O54 | C56 | H561 | H562 | 120.0° | 120.0° |
| O54 | C56 | H561 | H563 | 120.0° | 120.0° |
| O54 | C56 | H562 | H563 | 120.0° | 120.0° |
| O54 | C53 | O55 | N41 | 179.2° | 180.0° |
| O54 | C53 | N41 | C42 | 0.8° | 0.0° |
| O54 | C53 | N41 | C40 | 178.1° | 180.0° |
| C53 | O54 | C56 | H561 | 2.7° | 60.0° |
| C53 | O54 | C56 | H562 | 117.3° | 180.0° |
| C53 | O54 | C56 | H563 | 122.7° | 60.0° |
| O55 | C53 | N41 | C42 | 180.0° | 180.0° |
| O55 | C53 | N41 | C40 | 1.2° | 0.0° |
| C53 | N41 | C42 | C40 | 178.9° | 180.0° |
| C53 | N41 | C42 | C43 | 122.6° | 126.4° |
| C53 | N41 | C40 | C39 | 129.2° | 126.4° |
| C53 | N41 | C40 | H401 | 9.2° | 113.8° |
| C53 | N41 | C40 | H402 | 111.7° | 6.6° |
| C53 | N41 | C42 | H421 | 117.4° | 113.8° |
| C53 | N41 | C42 | H422 | 2.8° | 6.6° |
| N41 | C42 | C43 | H421 | 120.0° | 119.8° |
| N41 | C42 | C43 | H422 | 119.8° | 119.9° |
| N41 | C42 | C43 | C36 | 58.4° | 54.6° |
| C42 | N41 | C40 | C39 | 49.7° | 53.6° |
| C42 | N41 | C40 | H401 | 169.7° | 66.2° |
| C42 | N41 | C40 | H402 | 69.4° | 173.4° |
| N41 | C42 | H421 | H422 | 119.8° | 120.4° |
| N41 | C42 | C43 | H431 | 178.4° | 65.3° |
| N41 | C42 | C43 | H432 | 61.4° | 174.6° |
| C43 | C42 | N41 | C40 | 56.3° | 53.6° |
| C42 | C43 | C36 | H431 | 120.0° | 119.9° |
| C42 | C43 | C36 | H432 | 119.8° | 120.0° |
| C42 | C43 | C36 | C35 | 177.3° | 178.7° |
| C42 | C43 | C36 | C39 | 57.4° | 61.4° |
| C42 | C43 | C36 | H36 | 58.0° | 58.7° |
| C43 | C42 | H421 | H422 | 119.8° | 120.3° |
| C42 | C43 | H431 | H432 | 119.7° | 120.1° |
| N41 | C40 | C39 | H401 | 120.0° | 119.8° |
| N41 | C40 | C39 | H402 | 119.1° | 119.9° |
| N41 | C40 | C39 | C36 | 45.4° | 54.6° |
| N41 | C40 | C39 | H391 | 74.6° | 174.6° |
| N41 | C40 | C39 | H392 | 164.4° | 65.3° |
| N41 | C40 | H401 | H402 | 119.1° | 120.4° |
| C40 | N41 | C42 | H421 | 63.7° | 66.2° |
| C40 | N41 | C42 | H422 | 176.1° | 173.4° |
| C43 | C36 | C39 | C40 | 50.8° | 61.4° |
| C43 | C36 | C35 | C39 | 123.0° | 120.0° |
| C43 | C36 | C35 | H36 | 121.9° | 120.0° |
| C43 | C36 | C39 | H36 | 121.6° | 120.0° |
| C43 | C36 | C35 | N20 | 172.0° | 61.1° |
| C43 | C36 | C35 | H351 | 52.0° | 179.0° |
| C43 | C36 | C35 | H352 | 72.2° | 58.9° |
| C43 | C36 | C39 | H391 | 69.1° | 178.7° |
| C43 | C36 | C39 | H392 | 169.8° | 58.6° |
| C36 | C43 | C42 | H421 | 61.6° | 65.2° |
| C36 | C43 | C42 | H422 | 178.2° | 174.5° |
| C36 | C43 | H431 | H432 | 119.8° | 120.1° |
| C40 | C39 | C36 | C35 | 170.4° | 178.6° |
| C40 | C39 | C36 | H391 | 120.0° | 119.9° |
| C40 | C39 | C36 | H392 | 118.9° | 120.0° |
| C40 | C39 | C36 | H36 | 70.7° | 58.7° |
| C40 | C39 | H391 | H392 | 119.0° | 120.1° |
| C39 | C40 | H401 | H402 | 119.1° | 120.3° |
| C35 | C36 | C39 | H36 | 118.8° | 120.0° |
| C36 | C35 | N20 | H351 | 120.0° | 119.9° |
| C36 | C35 | N20 | H352 | 115.8° | 120.0° |
| C36 | C35 | N20 | S22 | 63.8° | 67.6° |
| C36 | C35 | N20 | C12 | 119.9° | 112.4° |
| C36 | C35 | H351 | H352 | 116.4° | 120.1° |
| C35 | C36 | C39 | H391 | 50.5° | 58.7° |
| C35 | C36 | C39 | H392 | 70.6° | 61.4° |
| C35 | C36 | C43 | H431 | 57.3° | 61.4° |
| C35 | C36 | C43 | H432 | 62.9° | 58.7° |
| C39 | C36 | C35 | N20 | 65.0° | 178.8° |
| C39 | C36 | C35 | H351 | 175.0° | 58.9° |
| C39 | C36 | C35 | H352 | 50.8° | 61.2° |
| C36 | C39 | H391 | H392 | 119.0° | 120.1° |
| C36 | C39 | C40 | H401 | 165.4° | 65.2° |
| C36 | C39 | C40 | H402 | 73.7° | 174.5° |
| C39 | C36 | C43 | H431 | 177.4° | 58.6° |
| C39 | C36 | C43 | H432 | 62.4° | 178.7° |
| C35 | N20 | S22 | O24 | 1.1° | 28.4° |
| C35 | N20 | S22 | C12 | 175.8° | 180.0° |
| C35 | N20 | S22 | C23 | 115.6° | 85.1° |
| C35 | N20 | S22 | O25 | 127.3° | 161.4° |
| C35 | N20 | C12 | C11 | 122.5° | 60.0° |
| C35 | N20 | C12 | C13 | 106.5° | 58.5° |
| C35 | N20 | C12 | H12 | 7.0° | 179.2° |
| N20 | C35 | H351 | H352 | 116.4° | 120.0° |
| N20 | C35 | C36 | H36 | 50.1° | 58.9° |
| O24 | S22 | N20 | C23 | 114.5° | 113.5° |
| O24 | S22 | N20 | O25 | 128.4° | 132.9° |
| O24 | S22 | N20 | C12 | 174.7° | 151.6° |
| O24 | S22 | C23 | C30 | 57.4° | 151.4° |
| O24 | S22 | C23 | O25 | 131.5° | 133.0° |
| O24 | S22 | C23 | N26 | 125.3° | 28.3° |
| N20 | S22 | C23 | C30 | 57.0° | 95.1° |
| N20 | S22 | C23 | O25 | 114.1° | 113.6° |
| S22 | N20 | C12 | C11 | 53.5° | 120.0° |
| S22 | N20 | C12 | C13 | 77.5° | 121.6° |
| N20 | S22 | C23 | N26 | 120.2° | 85.1° |
| S22 | N20 | C12 | H12 | 168.9° | 0.8° |
| S22 | N20 | C35 | H351 | 56.2° | 52.3° |
| S22 | N20 | C35 | H352 | 179.6° | 172.3° |
| C12 | N20 | S22 | C23 | 60.1° | 94.9° |
| C12 | N20 | S22 | O25 | 57.0° | 18.7° |
| N20 | C12 | C11 | C13 | 132.1° | 119.6° |
| N20 | C12 | C11 | H12 | 113.8° | 120.8° |
| N20 | C12 | C13 | H12 | 113.4° | 120.8° |
| N20 | C12 | C11 | N10 | 173.2° | 172.2° |
| N20 | C12 | C13 | C4 | 174.7° | 166.9° |
| N20 | C12 | C11 | H111 | 53.2° | 52.5° |
| N20 | C12 | C11 | H112 | 69.5° | 67.9° |
| N20 | C12 | C13 | H131 | 65.3° | 46.7° |
| N20 | C12 | C13 | H132 | 56.2° | 73.1° |
| C12 | N20 | C35 | H351 | 120.1° | 127.7° |
| C12 | N20 | C35 | H352 | 4.1° | 7.7° |
| C29 | C30 | C23 | H30 | 180.0° | 179.5° |
| C29 | C30 | C23 | S22 | 171.2° | 179.7° |
| C30 | C29 | C28 | H29 | 180.0° | 179.8° |
| C29 | C30 | C23 | N26 | 5.9° | 0.5° |
| C30 | C29 | C28 | C27 | 3.8° | 0.2° |
| C30 | C29 | C28 | H28 | 176.2° | 179.7° |
| C30 | C23 | S22 | N26 | 177.2° | 179.8° |
| C30 | C23 | S22 | O25 | 171.1° | 18.5° |
| C23 | C30 | C29 | C28 | 1.5° | 0.5° |
| C30 | C23 | N26 | C27 | 4.5° | 0.2° |
| C23 | C30 | C29 | H29 | 178.5° | 179.7° |
| S22 | C23 | N26 | C27 | 172.6° | 180.0° |
| S22 | C23 | C30 | H30 | 8.8° | 0.2° |
| O25 | S22 | C23 | N26 | 6.2° | 161.3° |
| C29 | C28 | C27 | H28 | 180.0° | 179.9° |
| C29 | C28 | C27 | N26 | 5.4° | 0.1° |
| C29 | C28 | C27 | H27 | 174.6° | 180.0° |
| C28 | C29 | C30 | H30 | 178.5° | 180.0° |
| C11 | C12 | C13 | H12 | 115.5° | 119.6° |
| C12 | C11 | N10 | H111 | 120.0° | 119.7° |
| C12 | C11 | N10 | H112 | 117.3° | 120.0° |
| C11 | C12 | C13 | C4 | 43.5° | 47.3° |
| C12 | C11 | N10 | C60 | 160.2° | 179.2° |
| C12 | C11 | N10 | C3 | 21.4° | 53.6° |
| C12 | C11 | H111 | H112 | 117.5° | 120.5° |
| C11 | C12 | C13 | H131 | 163.5° | 72.9° |
| C11 | C12 | C13 | H132 | 75.0° | 167.3° |
| C13 | C12 | C11 | N10 | 41.1° | 68.2° |
| C12 | C13 | C4 | H131 | 120.0° | 120.0° |
| C12 | C13 | C4 | H132 | 118.5° | 120.0° |
| C12 | C13 | C4 | C3 | 27.5° | 16.0° |
| C12 | C13 | C4 | C5 | 153.9° | 164.4° |
| C13 | C12 | C11 | H111 | 78.9° | 172.1° |
| C13 | C12 | C11 | H112 | 158.4° | 51.7° |
| C12 | C13 | H131 | H132 | 118.6° | 119.8° |
| C23 | N26 | C27 | C28 | 1.3° | 0.1° |
| C23 | N26 | C27 | H27 | 178.7° | 180.0° |
| N26 | C23 | C30 | H30 | 174.1° | 179.9° |
| C11 | N10 | C60 | C3 | 178.4° | 126.8° |
| C11 | N10 | C3 | C4 | 3.4° | 20.7° |
| C11 | N10 | C60 | C61 | 81.7° | 41.2° |
| C11 | N10 | C3 | C2 | 176.3° | 159.7° |
| N10 | C11 | H111 | H112 | 117.6° | 120.3° |
| N10 | C11 | C12 | H12 | 73.0° | 51.4° |
| C11 | N10 | C60 | H601 | 38.2° | 161.2° |
| C11 | N10 | C60 | H602 | 159.4° | 78.8° |
| C13 | C4 | C3 | N10 | 7.0° | 1.4° |
| C13 | C4 | C3 | C5 | 178.6° | 179.6° |
| C13 | C4 | C3 | C2 | 172.7° | 179.1° |
| C13 | C4 | C5 | C6 | 173.1° | 179.0° |
| C13 | C4 | C5 | H5 | 6.9° | 0.7° |
| C4 | C13 | C12 | H12 | 72.0° | 72.3° |
| C4 | C13 | H131 | H132 | 118.6° | 120.0° |
| C28 | C27 | N26 | H27 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 176.2° | 180.0° |
| N26 | C27 | C28 | H28 | 174.6° | 180.0° |
| C60 | N10 | C3 | C4 | 178.3° | 146.3° |
| N10 | C60 | C61 | H601 | 120.0° | 120.0° |
| N10 | C60 | C61 | H602 | 118.9° | 120.0° |
| C60 | N10 | C3 | C2 | 2.0° | 34.1° |
| N10 | C60 | C61 | N67 | 171.0° | 82.2° |
| N10 | C60 | C61 | C64 | 9.9° | 97.4° |
| C60 | N10 | C11 | H111 | 79.8° | 61.0° |
| C60 | N10 | C11 | H112 | 42.9° | 59.3° |
| N10 | C60 | H601 | H602 | 119.0° | 120.0° |
| N10 | C3 | C4 | C2 | 179.7° | 179.5° |
| N10 | C3 | C4 | C5 | 174.5° | 179.0° |
| C3 | N10 | C60 | C61 | 96.7° | 168.0° |
| N10 | C3 | C2 | C1 | 177.4° | 179.2° |
| N10 | C3 | C2 | H2 | 2.6° | 0.8° |
| C3 | N10 | C11 | H111 | 98.6° | 173.4° |
| C3 | N10 | C11 | H112 | 138.7° | 66.3° |
| C3 | N10 | C60 | H601 | 143.3° | 72.0° |
| C3 | N10 | C60 | H602 | 22.2° | 48.0° |
| C3 | C4 | C5 | C6 | 5.5° | 0.5° |
| C4 | C3 | C2 | C1 | 2.9° | 0.4° |
| C4 | C3 | C2 | H2 | 177.1° | 179.7° |
| C3 | C4 | C5 | H5 | 174.6° | 179.8° |
| C3 | C4 | C13 | H131 | 147.6° | 104.0° |
| C3 | C4 | C13 | H132 | 91.0° | 136.0° |
| C5 | C4 | C3 | C2 | 5.9° | 0.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 1.8° | 0.5° |
| C4 | C5 | C6 | C18 | 175.8° | 180.0° |
| C5 | C4 | C13 | H131 | 33.9° | 75.5° |
| C5 | C4 | C13 | H132 | 87.6° | 44.4° |
| C60 | C61 | N67 | C68 | 0.7° | 0.0° |
| C60 | C61 | N67 | C64 | 179.3° | 179.7° |
| C60 | C61 | N67 | C66 | 179.2° | 179.9° |
| C60 | C61 | C64 | N65 | 179.1° | 180.0° |
| C61 | C60 | H601 | H602 | 118.9° | 120.0° |
| C60 | C61 | C64 | H64 | 0.9° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.7° | 0.3° |
| C3 | C2 | C1 | H1 | 179.3° | 180.0° |
| C5 | C6 | C1 | C2 | 1.3° | 0.4° |
| C5 | C6 | C1 | C18 | 177.6° | 179.5° |
| C5 | C6 | C18 | N19 | 117.6° | 168.9° |
| C5 | C6 | C1 | H1 | 178.7° | 179.9° |
| C68 | N67 | C61 | C66 | 178.6° | 179.9° |
| C68 | N67 | C61 | C64 | 178.6° | 179.7° |
| C68 | N67 | C66 | N65 | 178.4° | 179.7° |
| C68 | N67 | C66 | H66 | 1.6° | 0.0° |
| N67 | C68 | H681 | H682 | 120.0° | 120.0° |
| N67 | C68 | H681 | H683 | 120.0° | 119.9° |
| N67 | C68 | H682 | H683 | 120.0° | 120.0° |
| N67 | C61 | C64 | N65 | 0.2° | 0.3° |
| C61 | N67 | C66 | N65 | 0.1° | 0.4° |
| N67 | C61 | C60 | H601 | 51.0° | 37.7° |
| N67 | C61 | C60 | H602 | 70.1° | 157.7° |
| N67 | C61 | C64 | H64 | 179.8° | 179.8° |
| C61 | N67 | C66 | H66 | 179.9° | 179.8° |
| C61 | N67 | C68 | H681 | 31.8° | 94.9° |
| C61 | N67 | C68 | H682 | 88.2° | 145.0° |
| C61 | N67 | C68 | H683 | 151.8° | 25.0° |
| C64 | C61 | N67 | C66 | 0.1° | 0.5° |
| C61 | C64 | N65 | H64 | 180.0° | 179.9° |
| C61 | C64 | N65 | C66 | 0.2° | 0.0° |
| C64 | C61 | C60 | H601 | 129.9° | 142.6° |
| C64 | C61 | C60 | H602 | 109.0° | 22.6° |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C2 | C1 | C6 | C18 | 178.9° | 179.9° |
| C1 | C6 | C18 | N19 | 60.0° | 11.6° |
| C6 | C1 | C2 | H2 | 179.3° | 179.7° |
| C1 | C6 | C5 | H5 | 178.2° | 179.8° |
| C18 | C6 | C1 | H1 | 1.1° | 0.5° |
| C18 | C6 | C5 | H5 | 4.1° | 0.3° |
| N67 | C66 | N65 | C64 | 0.2° | 0.3° |
| N67 | C66 | N65 | H66 | 180.0° | 179.7° |
| C66 | N67 | C68 | H681 | 150.0° | 85.0° |
| C66 | N67 | C68 | H682 | 90.0° | 35.1° |
| C66 | N67 | C68 | H683 | 30.0° | 155.1° |
| C64 | N65 | C66 | H66 | 179.8° | 180.0° |
| C66 | N65 | C64 | H64 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.7° | 0.1° |
| H111 | C11 | C12 | H12 | 167.0° | 68.3° |
| H112 | C11 | C12 | H12 | 44.3° | 171.3° |
| H12 | C12 | C13 | H131 | 48.0° | 167.6° |
| H12 | C12 | C13 | H132 | 169.5° | 47.8° |
| H27 | C27 | C28 | H28 | 5.4° | 0.0° |
| H28 | C28 | C29 | H29 | 3.8° | 0.1° |
| H29 | C29 | C30 | H30 | 1.5° | 0.2° |
| H351 | C35 | C36 | H36 | 69.9° | 61.0° |
| H352 | C35 | C36 | H36 | 165.9° | 178.9° |
| H36 | C36 | C39 | H391 | 169.3° | 61.3° |
| H36 | C36 | C39 | H392 | 48.2° | 178.6° |
| H36 | C36 | C43 | H431 | 62.0° | 178.6° |
| H36 | C36 | C43 | H432 | 177.7° | 61.3° |
| H391 | C39 | C40 | H401 | 45.4° | 54.8° |
| H391 | C39 | C40 | H402 | 166.3° | 65.5° |
| H392 | C39 | C40 | H401 | 75.6° | 174.9° |
| H392 | C39 | C40 | H402 | 45.3° | 54.6° |
| H421 | C42 | C43 | H431 | 58.4° | 174.9° |
| H421 | C42 | C43 | H432 | 178.6° | 54.8° |
| H422 | C42 | C43 | H431 | 61.8° | 54.6° |
| H422 | C42 | C43 | H432 | 58.4° | 65.6° |
| H561 | C56 | H562 | H563 | 120.0° | 120.0° |
| H681 | C68 | H682 | H683 | 120.0° | 120.0° |
