PTT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.55Å | 1.55Å | |
| C1 | O4P | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.12Å | 1.12Å | |
| C2 | C3 | sing | 1.55Å | 1.55Å | |
| C2 | O2 | sing | 1.39Å | 1.39Å | |
| C2 | H2 | sing | 1.12Å | 1.12Å | |
| C3 | S3 | sing | 1.73Å | 1.73Å | |
| C3 | C4 | doub | 1.35Å | 1.35Å | |
| S3 | W1 | sing | 2.47Å | 2.47Å | |
| C4 | S4 | sing | 1.73Å | 1.73Å | |
| C4 | C5 | sing | 1.55Å | 1.55Å | |
| S4 | W1 | sing | 2.46Å | 2.46Å | |
| W1 | S23 | sing | 2.50Å | 2.50Å | |
| W1 | S24 | sing | 2.45Å | 2.45Å | |
| W1 | OX1 | sing | 2.12Å | 2.12Å | |
| C5 | N6 | sing | 1.46Å | 1.46Å | |
| C5 | C14 | sing | 1.56Å | 1.56Å | |
| C5 | H5 | sing | 1.12Å | 1.12Å | |
| N6 | C7 | sing | 1.35Å | 1.35Å | |
| N6 | HN6 | sing | 1.02Å | 1.02Å | |
| C7 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | C12 | doub | 1.43Å | 1.43Å | Aromatic |
| C8 | O8 | sing | 1.37Å | 1.37Å | |
| C8 | N9 | doub | 1.35Å | 1.35Å | Aromatic |
| O8 | CA1 | sing | 2.11Å | 2.11Å | |
| N9 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | N10 | sing | 1.35Å | 1.35Å | |
| C10 | N11 | doub | 1.35Å | 1.35Å | Aromatic |
| N10 | H101 | sing | 1.02Å | 1.02Å | |
| N10 | H102 | sing | 1.02Å | 1.02Å | |
| N11 | C12 | sing | 1.36Å | 1.36Å | Aromatic |
| C12 | N13 | sing | 1.34Å | 1.34Å | |
| N13 | C14 | sing | 1.45Å | 1.45Å | |
| N13 | H13 | sing | 1.02Å | 1.02Å | |
| C14 | O2 | sing | 1.40Å | 1.40Å | |
| C14 | H14 | sing | 1.12Å | 1.12Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C21 | O8P | sing | 1.45Å | 1.45Å | |
| C21 | H21 | sing | 1.12Å | 1.12Å | |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C22 | O22 | sing | 1.40Å | 1.40Å | |
| C22 | H22 | sing | 1.11Å | 1.11Å | |
| C23 | S23 | sing | 1.74Å | 1.74Å | |
| C23 | C24 | doub | 1.40Å | 1.40Å | |
| C24 | S24 | sing | 1.76Å | 1.76Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C25 | N26 | sing | 1.47Å | 1.47Å | |
| C25 | C34 | sing | 1.57Å | 1.57Å | |
| C25 | H25 | sing | 1.12Å | 1.12Å | |
| N26 | C27 | sing | 1.39Å | 1.39Å | |
| N26 | H26 | sing | 1.02Å | 1.02Å | |
| C27 | C28 | sing | 1.42Å | 1.42Å | Aromatic |
| C27 | C32 | doub | 1.46Å | 1.46Å | Aromatic |
| C28 | O28 | doub | 1.37Å | 1.37Å | |
| C28 | N29 | sing | 1.35Å | 1.35Å | Aromatic |
| N29 | C30 | sing | 1.37Å | 1.37Å | Aromatic |
| N29 | H29 | sing | 1.02Å | 1.02Å | |
| C30 | N30 | sing | 1.36Å | 1.36Å | |
| C30 | N31 | doub | 1.34Å | 1.34Å | Aromatic |
| N30 | H301 | sing | 1.02Å | 1.02Å | |
| N30 | H302 | sing | 1.02Å | 1.02Å | |
| N31 | C32 | sing | 1.36Å | 1.36Å | Aromatic |
| C32 | N33 | sing | 1.34Å | 1.34Å | |
| N33 | C34 | sing | 1.45Å | 1.45Å | |
| N33 | H33 | sing | 1.02Å | 1.02Å | |
| C34 | O22 | sing | 1.41Å | 1.41Å | |
| C34 | H34 | sing | 1.12Å | 1.12Å | |
| P1 | O1P | sing | 1.56Å | 1.56Å | |
| P1 | O2P | doub | 1.57Å | 1.57Å | |
| P1 | O3P | sing | 1.50Å | 1.50Å | |
| P1 | O4P | sing | 1.61Å | 1.61Å | |
| P2 | O5P | sing | 1.55Å | 1.55Å | |
| P2 | O6P | doub | 1.55Å | 1.55Å | |
| P2 | O7P | sing | 1.46Å | 1.46Å | |
| P2 | O8P | sing | 1.55Å | 1.55Å | |
| MG1 | O1P | sing | 2.03Å | 2.03Å | |
| MG1 | O5P | sing | 2.00Å | 2.00Å | |
| CA1 | HA11 | sing | 1.11Å | 1.11Å | |
| CA1 | HA12 | sing | 1.12Å | 1.12Å | |
| CA1 | HA13 | sing | 1.11Å | 1.11Å | |
| O3P | HOP3 | sing | 0.95Å | 0.95Å | |
| O7P | HOP7 | sing | 0.95Å | 0.95Å | |
| OX1 | HX1 | sing | 0.95Å | 0.95Å | |
| HC1 | C21 | sing | 1.10Å | 1.10Å | |
| HC2 | C1 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O4P | 108.8° | 108.8° |
| C2 | C1 | H1 | 90.5° | 90.5° |
| C1 | C2 | C3 | 107.4° | 107.4° |
| C1 | C2 | O2 | 98.0° | 98.0° |
| C1 | C2 | H2 | 117.1° | 117.1° |
| C2 | C1 | HC2 | 163.7° | 163.7° |
| O4P | C1 | H1 | 157.9° | 157.9° |
| C1 | O4P | P1 | 121.1° | 121.1° |
| O4P | C1 | HC2 | 69.2° | 69.2° |
| H1 | C1 | HC2 | 95.4° | 95.4° |
| C3 | C2 | O2 | 107.6° | 107.6° |
| C3 | C2 | H2 | 108.9° | 108.9° |
| C2 | C3 | S3 | 117.8° | 117.8° |
| C2 | C3 | C4 | 120.9° | 120.9° |
| O2 | C2 | H2 | 116.9° | 116.9° |
| C2 | O2 | C14 | 115.8° | 115.8° |
| S3 | C3 | C4 | 120.5° | 120.5° |
| C3 | S3 | W1 | 108.1° | 108.1° |
| C3 | C4 | S4 | 122.9° | 122.9° |
| C3 | C4 | C5 | 123.5° | 123.5° |
| S3 | W1 | S4 | 80.3° | 80.3° |
| S3 | W1 | S23 | 106.4° | 106.4° |
| S3 | W1 | S24 | 79.0° | 79.0° |
| S3 | W1 | OX1 | 156.6° | 156.6° |
| S4 | C4 | C5 | 113.5° | 113.5° |
| C4 | S4 | W1 | 107.4° | 107.4° |
| C4 | C5 | N6 | 108.8° | 108.8° |
| C4 | C5 | C14 | 108.5° | 108.5° |
| C4 | C5 | H5 | 107.6° | 107.6° |
| S4 | W1 | S23 | 85.7° | 85.7° |
| S4 | W1 | S24 | 150.6° | 150.6° |
| S4 | W1 | OX1 | 86.9° | 86.9° |
| S23 | W1 | S24 | 80.4° | 80.4° |
| S23 | W1 | OX1 | 91.9° | 91.9° |
| W1 | S23 | C23 | 104.7° | 104.7° |
| S24 | W1 | OX1 | 119.2° | 119.2° |
| W1 | S24 | C24 | 104.7° | 104.7° |
| W1 | OX1 | HX1 | 156.7° | 156.7° |
| N6 | C5 | C14 | 98.6° | 98.6° |
| N6 | C5 | H5 | 116.3° | 116.3° |
| C5 | N6 | C7 | 113.2° | 113.2° |
| C5 | N6 | HN6 | 110.8° | 110.8° |
| C14 | C5 | H5 | 116.6° | 116.6° |
| C5 | C14 | N13 | 111.5° | 111.5° |
| C5 | C14 | O2 | 112.5° | 112.5° |
| C5 | C14 | H14 | 111.3° | 111.3° |
| C7 | N6 | HN6 | 110.9° | 110.9° |
| N6 | C7 | C8 | 124.3° | 124.3° |
| N6 | C7 | C12 | 119.0° | 119.0° |
| C8 | C7 | C12 | 116.5° | 116.5° |
| C7 | C8 | O8 | 119.8° | 119.8° |
| C7 | C8 | N9 | 118.6° | 118.6° |
| C7 | C12 | N11 | 121.3° | 121.3° |
| C7 | C12 | N13 | 117.6° | 117.6° |
| O8 | C8 | N9 | 121.2° | 121.2° |
| C8 | O8 | CA1 | 160.9° | 160.9° |
| C8 | N9 | C10 | 123.8° | 123.8° |
| O8 | CA1 | HA11 | 160.9° | 160.9° |
| O8 | CA1 | HA12 | 95.5° | 95.5° |
| O8 | CA1 | HA13 | 95.5° | 95.5° |
| N9 | C10 | N10 | 123.0° | 123.0° |
| N9 | C10 | N11 | 118.7° | 118.7° |
| N10 | C10 | N11 | 118.2° | 118.2° |
| C10 | N10 | H101 | 122.9° | 122.9° |
| C10 | N10 | H102 | 107.4° | 107.4° |
| C10 | N11 | C12 | 121.0° | 121.0° |
| H101 | N10 | H102 | 107.4° | 107.4° |
| N11 | C12 | N13 | 120.9° | 120.9° |
| C12 | N13 | C14 | 120.1° | 120.1° |
| C12 | N13 | H13 | 108.4° | 108.4° |
| C14 | N13 | H13 | 108.4° | 108.4° |
| N13 | C14 | O2 | 120.9° | 120.9° |
| N13 | C14 | H14 | 100.0° | 100.0° |
| O2 | C14 | H14 | 98.8° | 98.8° |
| C22 | C21 | O8P | 105.7° | 105.7° |
| C22 | C21 | H21 | 90.7° | 90.7° |
| C21 | C22 | C23 | 100.5° | 100.5° |
| C21 | C22 | O22 | 112.1° | 112.1° |
| C21 | C22 | H22 | 114.2° | 114.2° |
| C22 | C21 | HC1 | 173.8° | 173.8° |
| O8P | C21 | H21 | 163.1° | 163.1° |
| C21 | O8P | P2 | 121.1° | 121.1° |
| O8P | C21 | HC1 | 71.7° | 71.7° |
| H21 | C21 | HC1 | 92.4° | 92.4° |
| C23 | C22 | O22 | 111.2° | 111.2° |
| C23 | C22 | H22 | 115.1° | 115.1° |
| C22 | C23 | S23 | 117.4° | 117.4° |
| C22 | C23 | C24 | 122.7° | 122.7° |
| O22 | C22 | H22 | 104.1° | 104.1° |
| C22 | O22 | C34 | 118.4° | 118.4° |
| S23 | C23 | C24 | 119.8° | 119.8° |
| C23 | C24 | S24 | 122.1° | 122.1° |
| C23 | C24 | C25 | 121.6° | 121.6° |
| S24 | C24 | C25 | 116.2° | 116.2° |
| C24 | C25 | N26 | 108.8° | 108.8° |
| C24 | C25 | C34 | 104.0° | 104.0° |
| C24 | C25 | H25 | 113.1° | 113.1° |
| N26 | C25 | C34 | 108.7° | 108.7° |
| N26 | C25 | H25 | 108.8° | 108.8° |
| C25 | N26 | C27 | 111.9° | 111.9° |
| C25 | N26 | H26 | 111.3° | 111.3° |
| C34 | C25 | H25 | 113.2° | 113.2° |
| C25 | C34 | N33 | 109.7° | 109.7° |
| C25 | C34 | O22 | 113.7° | 113.7° |
| C25 | C34 | H34 | 105.0° | 105.0° |
| C27 | N26 | H26 | 111.3° | 111.3° |
| N26 | C27 | C28 | 123.2° | 123.2° |
| N26 | C27 | C32 | 122.6° | 122.6° |
| C28 | C27 | C32 | 114.0° | 114.0° |
| C27 | C28 | O28 | 119.6° | 119.6° |
| C27 | C28 | N29 | 119.1° | 119.1° |
| C27 | C32 | N31 | 123.8° | 123.8° |
| C27 | C32 | N33 | 117.8° | 117.8° |
| O28 | C28 | N29 | 121.1° | 121.1° |
| C28 | N29 | C30 | 124.1° | 124.1° |
| C28 | N29 | H29 | 117.0° | 117.0° |
| C30 | N29 | H29 | 118.9° | 118.9° |
| N29 | C30 | N30 | 117.9° | 117.9° |
| N29 | C30 | N31 | 120.1° | 120.1° |
| N30 | C30 | N31 | 121.7° | 121.7° |
| C30 | N30 | H301 | 117.9° | 117.9° |
| C30 | N30 | H302 | 109.1° | 109.1° |
| C30 | N31 | C32 | 118.2° | 118.2° |
| H301 | N30 | H302 | 109.1° | 109.1° |
| N31 | C32 | N33 | 117.9° | 117.9° |
| C32 | N33 | C34 | 121.0° | 121.0° |
| C32 | N33 | H33 | 108.1° | 108.1° |
| C34 | N33 | H33 | 108.1° | 108.1° |
| N33 | C34 | O22 | 105.0° | 105.0° |
| N33 | C34 | H34 | 113.7° | 113.7° |
| O22 | C34 | H34 | 109.8° | 109.8° |
| O1P | P1 | O2P | 109.1° | 109.1° |
| O1P | P1 | O3P | 111.2° | 111.2° |
| O1P | P1 | O4P | 105.2° | 105.2° |
| P1 | O1P | MG1 | 134.3° | 134.3° |
| O2P | P1 | O3P | 115.3° | 115.3° |
| O2P | P1 | O4P | 109.2° | 109.2° |
| O3P | P1 | O4P | 106.2° | 106.2° |
| P1 | O3P | HOP3 | 96.0° | 96.0° |
| O5P | P2 | O6P | 116.5° | 116.5° |
| O5P | P2 | O7P | 106.4° | 106.4° |
| O5P | P2 | O8P | 109.9° | 109.9° |
| P2 | O5P | MG1 | 137.6° | 137.6° |
| O6P | P2 | O7P | 110.5° | 110.5° |
| O6P | P2 | O8P | 105.1° | 105.1° |
| O7P | P2 | O8P | 108.1° | 108.1° |
| P2 | O7P | HOP7 | 92.2° | 92.2° |
| O1P | MG1 | O5P | 177.0° | 177.0° |
| HA11 | CA1 | HA12 | 95.6° | 95.6° |
| HA11 | CA1 | HA13 | 95.6° | 95.6° |
| HA12 | CA1 | HA13 | 108.7° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O4P | H1 | 149.2° | 149.2° |
| C2 | C1 | O4P | HC2 | 162.8° | 162.8° |
| C2 | C1 | H1 | HC2 | 164.8° | 164.8° |
| C1 | C2 | C3 | O2 | 104.6° | 104.6° |
| C1 | C2 | C3 | H2 | 127.7° | 127.7° |
| C1 | C2 | O2 | H2 | 126.0° | 126.0° |
| C1 | C2 | C3 | S3 | 43.4° | 43.4° |
| C1 | C2 | C3 | C4 | 126.2° | 126.2° |
| C1 | C2 | O2 | C14 | 168.9° | 168.9° |
| C2 | C1 | O4P | P1 | 142.2° | 142.2° |
| O4P | C1 | H1 | HC2 | 44.2° | 44.2° |
| O4P | C1 | C2 | C3 | 178.2° | 178.2° |
| O4P | C1 | C2 | O2 | 70.5° | 70.5° |
| O4P | C1 | C2 | H2 | 55.4° | 55.4° |
| C1 | O4P | P1 | O1P | 46.7° | 46.7° |
| C1 | O4P | P1 | O2P | 163.7° | 163.7° |
| C1 | O4P | P1 | O3P | 71.3° | 71.3° |
| H1 | C1 | C2 | C3 | 9.3° | 9.3° |
| H1 | C1 | C2 | O2 | 120.6° | 120.6° |
| H1 | C1 | C2 | H2 | 113.5° | 113.5° |
| H1 | C1 | O4P | P1 | 68.6° | 68.6° |
| C3 | C2 | O2 | H2 | 122.8° | 122.8° |
| C2 | C3 | S3 | C4 | 169.6° | 169.6° |
| C2 | C3 | S3 | W1 | 178.9° | 178.9° |
| C2 | C3 | C4 | S4 | 179.0° | 179.0° |
| C2 | C3 | C4 | C5 | 3.8° | 3.8° |
| C3 | C2 | O2 | C14 | 57.8° | 57.8° |
| C3 | C2 | C1 | HC2 | 102.0° | 102.0° |
| O2 | C2 | C3 | S3 | 148.0° | 148.0° |
| O2 | C2 | C3 | C4 | 21.6° | 21.6° |
| C2 | O2 | C14 | C5 | 67.0° | 67.0° |
| C2 | O2 | C14 | N13 | 157.8° | 157.8° |
| C2 | O2 | C14 | H14 | 50.5° | 50.5° |
| O2 | C2 | C1 | HC2 | 9.4° | 9.4° |
| H2 | C2 | C3 | S3 | 84.3° | 84.3° |
| H2 | C2 | C3 | C4 | 106.1° | 106.1° |
| H2 | C2 | O2 | C14 | 65.0° | 65.0° |
| H2 | C2 | C1 | HC2 | 135.3° | 135.3° |
| S3 | C3 | C4 | S4 | 11.6° | 11.6° |
| S3 | C3 | C4 | C5 | 173.1° | 173.1° |
| C3 | S3 | W1 | S4 | 3.4° | 3.4° |
| C3 | S3 | W1 | S23 | 85.9° | 85.9° |
| C3 | S3 | W1 | S24 | 162.4° | 162.4° |
| C3 | S3 | W1 | OX1 | 54.1° | 54.1° |
| C4 | C3 | S3 | W1 | 9.2° | 9.2° |
| C3 | C4 | S4 | C5 | 175.7° | 175.7° |
| C3 | C4 | S4 | W1 | 7.4° | 7.4° |
| C3 | C4 | C5 | N6 | 104.5° | 104.5° |
| C3 | C4 | C5 | C14 | 1.8° | 1.8° |
| C3 | C4 | C5 | H5 | 128.7° | 128.7° |
| S3 | W1 | S4 | C4 | 1.0° | 1.0° |
| S3 | W1 | S4 | S23 | 107.4° | 107.4° |
| S3 | W1 | S4 | S24 | 45.6° | 45.6° |
| S3 | W1 | S4 | OX1 | 160.4° | 160.4° |
| S3 | W1 | S23 | S24 | 75.4° | 75.4° |
| S3 | W1 | S23 | OX1 | 165.3° | 165.3° |
| S3 | W1 | S24 | OX1 | 164.3° | 164.3° |
| S3 | W1 | S23 | C23 | 51.8° | 51.8° |
| S3 | W1 | S24 | C24 | 86.2° | 86.2° |
| S3 | W1 | OX1 | HX1 | 179.9° | 179.9° |
| C4 | S4 | W1 | S23 | 106.4° | 106.4° |
| C4 | S4 | W1 | S24 | 44.6° | 44.6° |
| C4 | S4 | W1 | OX1 | 161.5° | 161.5° |
| S4 | C4 | C5 | N6 | 79.9° | 79.9° |
| S4 | C4 | C5 | C14 | 173.9° | 173.9° |
| S4 | C4 | C5 | H5 | 46.9° | 46.9° |
| C5 | C4 | S4 | W1 | 176.9° | 176.9° |
| C4 | C5 | N6 | C14 | 112.9° | 112.9° |
| C4 | C5 | N6 | H5 | 121.6° | 121.6° |
| C4 | C5 | C14 | H5 | 121.6° | 121.6° |
| C4 | C5 | N6 | C7 | 178.9° | 178.9° |
| C4 | C5 | N6 | HN6 | 53.6° | 53.6° |
| C4 | C5 | C14 | N13 | 173.0° | 173.0° |
| C4 | C5 | C14 | O2 | 33.6° | 33.6° |
| C4 | C5 | C14 | H14 | 76.2° | 76.2° |
| S4 | W1 | S23 | S24 | 154.0° | 154.0° |
| S4 | W1 | S23 | OX1 | 86.7° | 86.7° |
| S4 | W1 | S24 | OX1 | 149.8° | 149.8° |
| S4 | W1 | S23 | C23 | 130.3° | 130.3° |
| S4 | W1 | S24 | C24 | 40.4° | 40.4° |
| S4 | W1 | OX1 | HX1 | 123.7° | 123.7° |
| S23 | W1 | S24 | OX1 | 86.8° | 86.8° |
| W1 | S23 | C23 | C22 | 160.2° | 160.2° |
| W1 | S23 | C23 | C24 | 21.3° | 21.3° |
| S23 | W1 | S24 | C24 | 22.7° | 22.7° |
| S23 | W1 | OX1 | HX1 | 38.1° | 38.1° |
| S24 | W1 | S23 | C23 | 23.6° | 23.6° |
| W1 | S24 | C24 | C23 | 19.7° | 19.7° |
| W1 | S24 | C24 | C25 | 162.5° | 162.5° |
| S24 | W1 | OX1 | HX1 | 42.0° | 42.0° |
| OX1 | W1 | S23 | C23 | 142.9° | 142.9° |
| OX1 | W1 | S24 | C24 | 109.5° | 109.5° |
| N6 | C5 | C14 | H5 | 125.3° | 125.3° |
| C5 | N6 | C7 | HN6 | 125.2° | 125.2° |
| C5 | N6 | C7 | C8 | 142.2° | 142.2° |
| C5 | N6 | C7 | C12 | 42.6° | 42.6° |
| N6 | C5 | C14 | N13 | 59.8° | 59.8° |
| N6 | C5 | C14 | O2 | 79.6° | 79.6° |
| N6 | C5 | C14 | H14 | 170.6° | 170.6° |
| C14 | C5 | N6 | C7 | 68.2° | 68.2° |
| C14 | C5 | N6 | HN6 | 166.5° | 166.5° |
| C5 | C14 | N13 | C12 | 27.7° | 27.7° |
| C5 | C14 | N13 | O2 | 135.6° | 135.6° |
| C5 | C14 | N13 | H14 | 117.8° | 117.8° |
| C5 | C14 | N13 | H13 | 97.6° | 97.6° |
| C5 | C14 | O2 | H14 | 117.5° | 117.5° |
| H5 | C5 | N6 | C7 | 57.3° | 57.3° |
| H5 | C5 | N6 | HN6 | 68.0° | 68.0° |
| H5 | C5 | C14 | N13 | 65.4° | 65.4° |
| H5 | C5 | C14 | O2 | 155.1° | 155.1° |
| H5 | C5 | C14 | H14 | 45.4° | 45.4° |
| N6 | C7 | C8 | C12 | 175.3° | 175.3° |
| N6 | C7 | C8 | O8 | 3.1° | 3.1° |
| N6 | C7 | C8 | N9 | 175.6° | 175.6° |
| N6 | C7 | C12 | N11 | 173.4° | 173.4° |
| N6 | C7 | C12 | N13 | 1.3° | 1.3° |
| HN6 | N6 | C7 | C8 | 17.0° | 17.0° |
| HN6 | N6 | C7 | C12 | 167.8° | 167.8° |
| C7 | C8 | O8 | N9 | 172.3° | 172.3° |
| C7 | C8 | O8 | CA1 | 166.8° | 166.8° |
| C7 | C8 | N9 | C10 | 2.2° | 2.2° |
| C8 | C7 | C12 | N11 | 2.1° | 2.1° |
| C8 | C7 | C12 | N13 | 176.9° | 176.9° |
| C12 | C7 | C8 | O8 | 172.2° | 172.2° |
| C12 | C7 | C8 | N9 | 0.3° | 0.3° |
| C7 | C12 | N11 | C10 | 2.8° | 2.8° |
| C7 | C12 | N11 | N13 | 174.6° | 174.6° |
| C7 | C12 | N13 | C14 | 4.6° | 4.6° |
| C7 | C12 | N13 | H13 | 129.8° | 129.8° |
| O8 | C8 | N9 | C10 | 170.2° | 170.2° |
| C8 | O8 | CA1 | HA11 | 179.8° | 179.8° |
| C8 | O8 | CA1 | HA12 | 54.8° | 54.8° |
| C8 | O8 | CA1 | HA13 | 54.7° | 54.7° |
| N9 | C8 | O8 | CA1 | 20.9° | 20.9° |
| C8 | N9 | C10 | N10 | 176.0° | 176.0° |
| C8 | N9 | C10 | N11 | 1.7° | 1.7° |
| O8 | CA1 | HA11 | HA12 | 125.1° | 125.1° |
| O8 | CA1 | HA11 | HA13 | 125.4° | 125.4° |
| O8 | CA1 | HA12 | HA13 | 97.7° | 97.7° |
| N9 | C10 | N10 | N11 | 174.4° | 174.4° |
| N9 | C10 | N10 | H101 | 180.0° | 180.0° |
| N9 | C10 | N10 | H102 | 54.8° | 54.8° |
| N9 | C10 | N11 | C12 | 0.9° | 0.9° |
| C10 | N10 | H101 | H102 | 125.2° | 125.2° |
| N10 | C10 | N11 | C12 | 173.7° | 173.7° |
| N11 | C10 | N10 | H101 | 5.6° | 5.6° |
| N11 | C10 | N10 | H102 | 119.6° | 119.6° |
| C10 | N11 | C12 | N13 | 177.3° | 177.3° |
| N11 | C12 | N13 | C14 | 179.3° | 179.3° |
| N11 | C12 | N13 | H13 | 55.4° | 55.4° |
| C12 | N13 | C14 | H13 | 125.3° | 125.3° |
| C12 | N13 | C14 | O2 | 107.9° | 107.9° |
| C12 | N13 | C14 | H14 | 145.5° | 145.5° |
| N13 | C14 | O2 | H14 | 107.3° | 107.3° |
| H13 | N13 | C14 | O2 | 126.8° | 126.8° |
| H13 | N13 | C14 | H14 | 20.2° | 20.2° |
| C22 | C21 | O8P | H21 | 166.0° | 166.0° |
| C22 | C21 | O8P | HC1 | 174.1° | 174.1° |
| C22 | C21 | H21 | HC1 | 174.6° | 174.6° |
| C21 | C22 | C23 | O22 | 118.8° | 118.8° |
| C21 | C22 | C23 | H22 | 123.1° | 123.1° |
| C21 | C22 | O22 | H22 | 123.9° | 123.9° |
| C21 | C22 | C23 | S23 | 66.6° | 66.6° |
| C21 | C22 | C23 | C24 | 115.0° | 115.0° |
| C21 | C22 | O22 | C34 | 139.6° | 139.6° |
| C22 | C21 | O8P | P2 | 166.7° | 166.7° |
| O8P | C21 | H21 | HC1 | 18.9° | 18.9° |
| O8P | C21 | C22 | C23 | 175.8° | 175.8° |
| O8P | C21 | C22 | O22 | 66.0° | 66.0° |
| O8P | C21 | C22 | H22 | 52.1° | 52.1° |
| C21 | O8P | P2 | O5P | 57.4° | 57.4° |
| C21 | O8P | P2 | O6P | 176.4° | 176.4° |
| C21 | O8P | P2 | O7P | 58.4° | 58.4° |
| H21 | C21 | C22 | C23 | 0.2° | 0.2° |
| H21 | C21 | C22 | O22 | 118.0° | 118.0° |
| H21 | C21 | C22 | H22 | 123.9° | 123.9° |
| H21 | C21 | O8P | P2 | 27.3° | 27.3° |
| C23 | C22 | O22 | H22 | 124.5° | 124.5° |
| C22 | C23 | S23 | C24 | 178.4° | 178.4° |
| C22 | C23 | C24 | S24 | 179.8° | 179.8° |
| C22 | C23 | C24 | C25 | 2.1° | 2.1° |
| C23 | C22 | O22 | C34 | 28.0° | 28.0° |
| C23 | C22 | C21 | HC1 | 120.5° | 120.5° |
| O22 | C22 | C23 | S23 | 174.5° | 174.5° |
| O22 | C22 | C23 | C24 | 3.9° | 3.9° |
| C22 | O22 | C34 | C25 | 61.8° | 61.8° |
| C22 | O22 | C34 | N33 | 178.2° | 178.2° |
| C22 | O22 | C34 | H34 | 55.5° | 55.5° |
| O22 | C22 | C21 | HC1 | 2.3° | 2.3° |
| H22 | C22 | C23 | S23 | 56.5° | 56.5° |
| H22 | C22 | C23 | C24 | 121.9° | 121.9° |
| H22 | C22 | O22 | C34 | 96.4° | 96.4° |
| H22 | C22 | C21 | HC1 | 115.8° | 115.8° |
| S23 | C23 | C24 | S24 | 1.5° | 1.5° |
| S23 | C23 | C24 | C25 | 176.3° | 176.3° |
| C23 | C24 | S24 | C25 | 177.8° | 177.8° |
| C23 | C24 | C25 | N26 | 90.4° | 90.4° |
| C23 | C24 | C25 | C34 | 25.4° | 25.4° |
| C23 | C24 | C25 | H25 | 148.6° | 148.6° |
| S24 | C24 | C25 | N26 | 91.8° | 91.8° |
| S24 | C24 | C25 | C34 | 152.5° | 152.5° |
| S24 | C24 | C25 | H25 | 29.2° | 29.2° |
| C24 | C25 | N26 | C34 | 112.7° | 112.7° |
| C24 | C25 | N26 | H25 | 123.6° | 123.6° |
| C24 | C25 | C34 | H25 | 123.2° | 123.2° |
| C24 | C25 | N26 | C27 | 164.5° | 164.5° |
| C24 | C25 | N26 | H26 | 70.2° | 70.2° |
| C24 | C25 | C34 | N33 | 173.1° | 173.1° |
| C24 | C25 | C34 | O22 | 55.8° | 55.8° |
| C24 | C25 | C34 | H34 | 64.2° | 64.2° |
| N26 | C25 | C34 | H25 | 121.0° | 121.0° |
| C25 | N26 | C27 | H26 | 125.3° | 125.3° |
| C25 | N26 | C27 | C28 | 158.1° | 158.1° |
| C25 | N26 | C27 | C32 | 17.0° | 17.0° |
| N26 | C25 | C34 | N33 | 57.4° | 57.4° |
| N26 | C25 | C34 | O22 | 59.9° | 59.9° |
| N26 | C25 | C34 | H34 | 180.0° | 180.0° |
| C34 | C25 | N26 | C27 | 51.9° | 51.9° |
| C34 | C25 | N26 | H26 | 177.2° | 177.2° |
| C25 | C34 | N33 | C32 | 26.5° | 26.5° |
| C25 | C34 | N33 | O22 | 122.6° | 122.6° |
| C25 | C34 | N33 | H34 | 117.3° | 117.3° |
| C25 | C34 | N33 | H33 | 98.7° | 98.7° |
| C25 | C34 | O22 | H34 | 117.3° | 117.3° |
| H25 | C25 | N26 | C27 | 71.8° | 71.8° |
| H25 | C25 | N26 | H26 | 53.4° | 53.4° |
| H25 | C25 | C34 | N33 | 63.7° | 63.7° |
| H25 | C25 | C34 | O22 | 179.0° | 179.0° |
| H25 | C25 | C34 | H34 | 59.0° | 59.0° |
| N26 | C27 | C28 | C32 | 175.5° | 175.5° |
| N26 | C27 | C28 | O28 | 3.8° | 3.8° |
| N26 | C27 | C28 | N29 | 178.4° | 178.4° |
| N26 | C27 | C32 | N31 | 171.6° | 171.6° |
| N26 | C27 | C32 | N33 | 16.2° | 16.2° |
| H26 | N26 | C27 | C28 | 32.8° | 32.8° |
| H26 | N26 | C27 | C32 | 142.3° | 142.3° |
| C27 | C28 | O28 | N29 | 174.4° | 174.4° |
| C27 | C28 | N29 | C30 | 8.3° | 8.3° |
| C27 | C28 | N29 | H29 | 171.8° | 171.8° |
| C28 | C27 | C32 | N31 | 3.9° | 3.9° |
| C28 | C27 | C32 | N33 | 168.3° | 168.3° |
| C32 | C27 | C28 | O28 | 171.7° | 171.7° |
| C32 | C27 | C28 | N29 | 2.9° | 2.9° |
| C27 | C32 | N31 | C30 | 5.6° | 5.6° |
| C27 | C32 | N31 | N33 | 172.2° | 172.2° |
| C27 | C32 | N33 | C34 | 9.3° | 9.3° |
| C27 | C32 | N33 | H33 | 134.5° | 134.5° |
| O28 | C28 | N29 | C30 | 166.2° | 166.2° |
| O28 | C28 | N29 | H29 | 13.7° | 13.7° |
| C28 | N29 | C30 | H29 | 179.9° | 179.9° |
| C28 | N29 | C30 | N30 | 179.1° | 179.1° |
| C28 | N29 | C30 | N31 | 6.7° | 6.7° |
| N29 | C30 | N30 | N31 | 174.1° | 174.1° |
| N29 | C30 | N30 | H301 | 179.9° | 179.9° |
| N29 | C30 | N30 | H302 | 54.8° | 54.8° |
| N29 | C30 | N31 | C32 | 0.4° | 0.4° |
| H29 | N29 | C30 | N30 | 0.8° | 0.8° |
| H29 | N29 | C30 | N31 | 173.3° | 173.3° |
| C30 | N30 | H301 | H302 | 125.2° | 125.2° |
| N30 | C30 | N31 | C32 | 173.6° | 173.6° |
| N31 | C30 | N30 | H301 | 6.0° | 6.0° |
| N31 | C30 | N30 | H302 | 131.2° | 131.2° |
| C30 | N31 | C32 | N33 | 166.6° | 166.6° |
| N31 | C32 | N33 | C34 | 178.1° | 178.1° |
| N31 | C32 | N33 | H33 | 52.9° | 52.9° |
| C32 | N33 | C34 | H33 | 125.2° | 125.2° |
| C32 | N33 | C34 | O22 | 96.1° | 96.1° |
| C32 | N33 | C34 | H34 | 143.8° | 143.8° |
| N33 | C34 | O22 | H34 | 122.7° | 122.7° |
| H33 | N33 | C34 | O22 | 138.7° | 138.7° |
| H33 | N33 | C34 | H34 | 18.6° | 18.6° |
| O1P | P1 | O2P | O3P | 126.1° | 126.1° |
| O1P | P1 | O2P | O4P | 114.5° | 114.5° |
| O1P | P1 | O3P | O4P | 113.9° | 113.9° |
| P1 | O1P | MG1 | O5P | 48.9° | 48.9° |
| O1P | P1 | O3P | HOP3 | 92.3° | 92.3° |
| O2P | P1 | O3P | O4P | 121.1° | 121.1° |
| O2P | P1 | O1P | MG1 | 147.4° | 147.4° |
| O2P | P1 | O3P | HOP3 | 32.7° | 32.7° |
| O3P | P1 | O1P | MG1 | 19.0° | 19.0° |
| O4P | P1 | O1P | MG1 | 95.6° | 95.6° |
| O4P | P1 | O3P | HOP3 | 153.8° | 153.8° |
| P1 | O4P | C1 | HC2 | 20.6° | 20.6° |
| O5P | P2 | O6P | O7P | 121.6° | 121.6° |
| O5P | P2 | O6P | O8P | 122.0° | 122.0° |
| O5P | P2 | O7P | O8P | 118.1° | 118.1° |
| P2 | O5P | MG1 | O1P | 178.6° | 178.6° |
| O5P | P2 | O7P | HOP7 | 85.8° | 85.8° |
| O6P | P2 | O7P | O8P | 114.6° | 114.6° |
| O6P | P2 | O5P | MG1 | 140.1° | 140.1° |
| O6P | P2 | O7P | HOP7 | 41.6° | 41.6° |
| O7P | P2 | O5P | MG1 | 16.4° | 16.4° |
| O8P | P2 | O5P | MG1 | 100.4° | 100.4° |
| O8P | P2 | O7P | HOP7 | 156.2° | 156.2° |
| P2 | O8P | C21 | HC1 | 7.4° | 7.4° |
| HA11 | CA1 | HA12 | HA13 | 97.9° | 97.9° |
