58M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O4P | sing | 1.44Å | 1.41Å | |
| C1 | H11 | sing | 0.98Å | 1.10Å | |
| C1 | H12 | sing | 0.98Å | 1.10Å | |
| C2 | C3 | sing | 1.52Å | 1.54Å | |
| C2 | O2 | sing | 1.44Å | 1.39Å | |
| C2 | H2 | sing | 0.99Å | 1.10Å | |
| C3 | S3 | sing | 1.68Å | 1.71Å | |
| C3 | C4 | doub | 1.35Å | 1.38Å | |
| C4 | S4 | sing | 1.67Å | 1.77Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| S4 | W1 | sing | 2.36Å | 2.29Å | |
| C5 | N6 | sing | 1.46Å | 1.48Å | |
| C5 | C14 | sing | 1.56Å | 1.56Å | |
| C5 | H5 | sing | 0.99Å | 1.10Å | |
| N6 | C7 | sing | 1.39Å | 1.34Å | |
| N6 | H6 | sing | 0.87Å | 1.00Å | |
| C7 | C8 | sing | 1.44Å | 1.43Å | |
| C7 | C12 | doub | 1.41Å | 1.43Å | |
| C8 | O8 | doub | 1.23Å | 1.38Å | |
| C8 | N9 | sing | 1.39Å | 1.34Å | |
| N9 | C10 | sing | 1.37Å | 1.36Å | |
| N9 | H9 | sing | 0.88Å | 1.00Å | |
| C10 | N10 | sing | 1.33Å | 1.35Å | |
| C10 | N11 | doub | 1.34Å | 1.36Å | |
| N10 | H101 | sing | 0.88Å | 1.00Å | |
| N10 | H102 | sing | 0.88Å | 1.00Å | |
| N11 | C12 | sing | 1.36Å | 1.36Å | |
| C12 | N13 | sing | 1.36Å | 1.36Å | |
| N13 | C14 | sing | 1.46Å | 1.47Å | |
| N13 | H13 | sing | 0.88Å | 1.00Å | |
| C14 | O2 | sing | 1.44Å | 1.40Å | |
| C14 | H14 | sing | 0.99Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | O8P | sing | 1.44Å | 1.42Å | |
| C21 | H211 | sing | 0.98Å | 1.10Å | |
| C21 | H212 | sing | 0.98Å | 1.10Å | |
| C22 | C23 | sing | 1.52Å | 1.54Å | |
| C22 | O22 | sing | 1.44Å | 1.39Å | |
| C22 | H22 | sing | 0.99Å | 1.10Å | |
| C23 | S23 | sing | 1.68Å | 1.75Å | |
| C23 | C24 | doub | 1.34Å | 1.40Å | |
| C24 | S24 | sing | 1.67Å | 1.74Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | N26 | sing | 1.46Å | 1.48Å | |
| C25 | C34 | sing | 1.56Å | 1.55Å | |
| C25 | H25 | sing | 0.99Å | 1.10Å | |
| N26 | C27 | sing | 1.39Å | 1.35Å | |
| N26 | H26 | sing | 0.87Å | 1.00Å | |
| C27 | C28 | sing | 1.44Å | 1.42Å | |
| C27 | C32 | doub | 1.41Å | 1.44Å | |
| C28 | O28 | doub | 1.23Å | 1.36Å | |
| C28 | N29 | sing | 1.39Å | 1.34Å | |
| N29 | C30 | sing | 1.37Å | 1.36Å | |
| N29 | H29 | sing | 0.88Å | 1.00Å | |
| C30 | N30 | sing | 1.33Å | 1.35Å | |
| C30 | N31 | doub | 1.34Å | 1.36Å | |
| N30 | H301 | sing | 0.88Å | 1.00Å | |
| N30 | H302 | sing | 0.88Å | 1.00Å | |
| N31 | C32 | sing | 1.36Å | 1.34Å | |
| C32 | N33 | sing | 1.36Å | 1.34Å | |
| N33 | C34 | sing | 1.46Å | 1.46Å | |
| N33 | H33 | sing | 0.88Å | 1.00Å | |
| C34 | O22 | sing | 1.44Å | 1.39Å | |
| C34 | H34 | sing | 0.99Å | 1.10Å | |
| P1 | O1P | sing | 1.54Å | 1.60Å | |
| P1 | O2P | sing | 1.54Å | 1.57Å | |
| P1 | O3P | doub | 1.49Å | 1.47Å | |
| P1 | O4P | sing | 1.57Å | 1.55Å | |
| O2P | HOP2 | sing | 0.89Å | 0.95Å | |
| P2 | O5P | sing | 1.54Å | 1.57Å | |
| P2 | O6P | sing | 1.54Å | 1.58Å | |
| P2 | O7P | doub | 1.49Å | 1.49Å | |
| P2 | O8P | sing | 1.57Å | 1.48Å | |
| O6P | HOP6 | sing | 0.89Å | 0.95Å | |
| W1 | S3 | sing | 2.42Å | 2.39Å | |
| W1 | S23 | sing | 2.41Å | 2.35Å | |
| W1 | S24 | sing | 2.38Å | 2.35Å | |
| O1P | H1 | sing | 0.89Å | 0.95Å | |
| O5P | H3 | sing | 0.89Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O4P | 100.2° | 110.4° |
| C2 | C1 | H11 | 111.8° | 109.1° |
| C2 | C1 | H12 | 111.7° | 109.4° |
| C1 | C2 | C3 | 116.8° | 113.4° |
| C1 | C2 | O2 | 116.2° | 104.6° |
| C1 | C2 | H2 | 104.0° | 108.4° |
| O4P | C1 | H11 | 111.7° | 110.0° |
| O4P | C1 | H12 | 111.7° | 109.8° |
| C1 | O4P | P1 | 117.5° | 122.2° |
| H11 | C1 | H12 | 109.5° | 108.1° |
| C3 | C2 | O2 | 109.1° | 113.5° |
| C3 | C2 | H2 | 103.8° | 107.6° |
| C2 | C3 | S3 | 121.3° | 120.9° |
| C2 | C3 | C4 | 121.5° | 121.7° |
| O2 | C2 | H2 | 105.3° | 109.2° |
| C2 | O2 | C14 | 123.4° | 121.5° |
| S3 | C3 | C4 | 114.3° | 117.4° |
| C3 | S3 | W1 | 115.8° | 111.6° |
| C3 | C4 | S4 | 117.3° | 119.9° |
| C3 | C4 | C5 | 120.3° | 122.8° |
| S4 | C4 | C5 | 118.1° | 117.2° |
| C4 | S4 | W1 | 115.2° | 113.1° |
| C4 | C5 | N6 | 120.0° | 110.1° |
| C4 | C5 | C14 | 112.2° | 112.6° |
| C4 | C5 | H5 | 104.1° | 107.3° |
| S4 | W1 | S3 | 76.2° | 76.6° |
| S4 | W1 | S23 | 78.7° | 83.7° |
| S4 | W1 | S24 | 135.4° | 149.8° |
| N6 | C5 | C14 | 109.9° | 112.5° |
| N6 | C5 | H5 | 104.8° | 107.7° |
| C5 | N6 | C7 | 118.5° | 123.0° |
| C5 | N6 | H6 | 107.2° | 119.4° |
| C14 | C5 | H5 | 104.1° | 106.2° |
| C5 | C14 | N13 | 109.8° | 112.9° |
| C5 | C14 | O2 | 105.0° | 111.2° |
| C5 | C14 | H14 | 104.7° | 108.8° |
| C7 | N6 | H6 | 107.2° | 117.5° |
| N6 | C7 | C8 | 124.0° | 121.2° |
| N6 | C7 | C12 | 118.8° | 119.6° |
| C8 | C7 | C12 | 117.2° | 119.2° |
| C7 | C8 | O8 | 123.1° | 125.3° |
| C7 | C8 | N9 | 120.8° | 115.0° |
| C7 | C12 | N11 | 118.0° | 122.4° |
| C7 | C12 | N13 | 120.3° | 121.0° |
| O8 | C8 | N9 | 115.9° | 119.7° |
| C8 | N9 | C10 | 119.9° | 122.4° |
| C8 | N9 | H9 | 120.0° | 118.4° |
| C10 | N9 | H9 | 120.0° | 119.1° |
| N9 | C10 | N10 | 122.6° | 117.9° |
| N9 | C10 | N11 | 120.6° | 123.0° |
| N10 | C10 | N11 | 116.7° | 119.1° |
| C10 | N10 | H101 | 120.0° | 120.2° |
| C10 | N10 | H102 | 120.0° | 120.5° |
| C10 | N11 | C12 | 122.2° | 118.0° |
| H101 | N10 | H102 | 120.0° | 119.3° |
| N11 | C12 | N13 | 121.7° | 116.6° |
| C12 | N13 | C14 | 123.4° | 122.8° |
| C12 | N13 | H13 | 105.9° | 118.2° |
| C14 | N13 | H13 | 105.9° | 119.0° |
| N13 | C14 | O2 | 123.9° | 107.3° |
| N13 | C14 | H14 | 105.5° | 107.7° |
| O2 | C14 | H14 | 106.4° | 108.7° |
| C22 | C21 | O8P | 106.7° | 110.4° |
| C22 | C21 | H211 | 110.1° | 109.1° |
| C22 | C21 | H212 | 110.2° | 109.3° |
| C21 | C22 | C23 | 110.1° | 113.0° |
| C21 | C22 | O22 | 118.6° | 104.8° |
| C21 | C22 | H22 | 107.4° | 108.5° |
| O8P | C21 | H211 | 110.1° | 110.0° |
| O8P | C21 | H212 | 110.2° | 109.9° |
| C21 | O8P | P2 | 116.4° | 122.2° |
| H211 | C21 | H212 | 109.5° | 108.0° |
| C23 | C22 | O22 | 103.8° | 113.4° |
| C23 | C22 | H22 | 107.3° | 107.7° |
| C22 | C23 | S23 | 122.9° | 120.9° |
| C22 | C23 | C24 | 119.4° | 121.7° |
| O22 | C22 | H22 | 109.2° | 109.3° |
| C22 | O22 | C34 | 129.0° | 121.4° |
| S23 | C23 | C24 | 116.8° | 117.4° |
| C23 | S23 | W1 | 110.8° | 110.8° |
| C23 | C24 | S24 | 119.0° | 119.6° |
| C23 | C24 | C25 | 122.6° | 122.8° |
| S24 | C24 | C25 | 115.5° | 117.6° |
| C24 | S24 | W1 | 110.5° | 111.8° |
| C24 | C25 | N26 | 120.5° | 110.2° |
| C24 | C25 | C34 | 103.2° | 112.5° |
| C24 | C25 | H25 | 105.2° | 107.2° |
| N26 | C25 | C34 | 115.6° | 112.6° |
| N26 | C25 | H25 | 105.9° | 107.7° |
| C25 | N26 | C27 | 110.5° | 122.9° |
| C25 | N26 | H26 | 109.2° | 119.5° |
| C34 | C25 | H25 | 105.1° | 106.3° |
| C25 | C34 | N33 | 110.1° | 113.1° |
| C25 | C34 | O22 | 97.6° | 111.3° |
| C25 | C34 | H34 | 111.9° | 108.8° |
| C27 | N26 | H26 | 109.2° | 117.6° |
| N26 | C27 | C28 | 123.5° | 121.2° |
| N26 | C27 | C32 | 121.6° | 119.6° |
| C28 | C27 | C32 | 114.8° | 119.2° |
| C27 | C28 | O28 | 122.2° | 125.3° |
| C27 | C28 | N29 | 122.0° | 115.0° |
| C27 | C32 | N31 | 120.5° | 122.3° |
| C27 | C32 | N33 | 122.1° | 121.0° |
| O28 | C28 | N29 | 115.7° | 119.7° |
| C28 | N29 | C30 | 121.0° | 122.4° |
| C28 | N29 | H29 | 119.5° | 118.4° |
| C30 | N29 | H29 | 119.5° | 119.1° |
| N29 | C30 | N30 | 124.1° | 117.9° |
| N29 | C30 | N31 | 119.4° | 123.0° |
| N30 | C30 | N31 | 116.5° | 119.2° |
| C30 | N30 | H301 | 120.0° | 120.2° |
| C30 | N30 | H302 | 120.0° | 120.6° |
| C30 | N31 | C32 | 122.2° | 118.1° |
| H301 | N30 | H302 | 120.0° | 119.3° |
| N31 | C32 | N33 | 117.4° | 116.6° |
| C32 | N33 | C34 | 120.7° | 122.8° |
| C32 | N33 | H33 | 106.6° | 118.2° |
| C34 | N33 | H33 | 106.6° | 119.0° |
| N33 | C34 | O22 | 108.2° | 107.2° |
| N33 | C34 | H34 | 113.3° | 107.6° |
| O22 | C34 | H34 | 114.5° | 108.7° |
| O1P | P1 | O2P | 95.6° | 106.4° |
| O1P | P1 | O3P | 111.5° | 112.4° |
| O1P | P1 | O4P | 111.0° | 106.7° |
| P1 | O1P | H1 | 109.5° | 109.4° |
| O2P | P1 | O3P | 113.6° | 112.3° |
| O2P | P1 | O4P | 107.3° | 106.1° |
| P1 | O2P | HOP2 | 109.5° | 109.5° |
| O3P | P1 | O4P | 115.9° | 112.4° |
| O5P | P2 | O6P | 109.3° | 106.5° |
| O5P | P2 | O7P | 105.5° | 112.5° |
| O5P | P2 | O8P | 111.7° | 106.8° |
| P2 | O5P | H3 | 109.5° | 109.5° |
| O6P | P2 | O7P | 107.7° | 112.3° |
| O6P | P2 | O8P | 109.9° | 106.1° |
| P2 | O6P | HOP6 | 109.5° | 109.4° |
| O7P | P2 | O8P | 112.5° | 112.3° |
| S3 | W1 | S23 | 107.9° | 104.2° |
| S3 | W1 | S24 | 73.2° | 86.5° |
| S23 | W1 | S24 | 80.6° | 76.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O4P | H11 | 118.5° | 120.5° |
| C2 | C1 | O4P | H12 | 118.5° | 120.7° |
| C2 | C1 | H11 | H12 | 124.3° | 118.8° |
| C1 | C2 | C3 | O2 | 134.4° | 119.2° |
| C1 | C2 | C3 | H2 | 113.8° | 119.9° |
| C1 | C2 | O2 | H2 | 114.4° | 115.9° |
| C1 | C2 | C3 | S3 | 15.9° | 62.1° |
| C1 | C2 | C3 | C4 | 143.6° | 118.1° |
| C1 | C2 | O2 | C14 | 177.9° | 154.5° |
| C2 | C1 | O4P | P1 | 138.9° | 162.3° |
| O4P | C1 | H11 | H12 | 124.3° | 119.9° |
| O4P | C1 | C2 | C3 | 179.2° | 175.1° |
| O4P | C1 | C2 | O2 | 48.1° | 60.7° |
| O4P | C1 | C2 | H2 | 67.1° | 55.7° |
| C1 | O4P | P1 | O1P | 76.0° | 66.3° |
| C1 | O4P | P1 | O2P | 179.3° | 179.5° |
| C1 | O4P | P1 | O3P | 52.5° | 57.4° |
| H11 | C1 | C2 | C3 | 62.3° | 63.8° |
| H11 | C1 | C2 | O2 | 166.5° | 60.3° |
| H11 | C1 | C2 | H2 | 51.4° | 176.8° |
| H11 | C1 | O4P | P1 | 102.6° | 77.2° |
| H12 | C1 | C2 | C3 | 60.8° | 54.2° |
| H12 | C1 | C2 | O2 | 70.4° | 178.4° |
| H12 | C1 | C2 | H2 | 174.4° | 65.2° |
| H12 | C1 | O4P | P1 | 20.5° | 41.6° |
| C3 | C2 | O2 | H2 | 110.9° | 120.0° |
| C2 | C3 | S3 | C4 | 160.8° | 179.8° |
| C2 | C3 | C4 | S4 | 155.3° | 172.7° |
| C2 | C3 | C4 | C5 | 0.9° | 9.3° |
| C3 | C2 | O2 | C14 | 47.4° | 30.4° |
| C2 | C3 | S3 | W1 | 163.4° | 167.1° |
| O2 | C2 | C3 | S3 | 150.3° | 178.7° |
| O2 | C2 | C3 | C4 | 9.2° | 1.1° |
| C2 | O2 | C14 | C5 | 66.0° | 49.5° |
| C2 | O2 | C14 | N13 | 167.0° | 173.4° |
| C2 | O2 | C14 | H14 | 44.7° | 70.3° |
| H2 | C2 | C3 | S3 | 97.9° | 57.7° |
| H2 | C2 | C3 | C4 | 102.7° | 122.0° |
| H2 | C2 | O2 | C14 | 63.5° | 89.6° |
| S3 | C3 | C4 | S4 | 5.4° | 7.5° |
| S3 | C3 | C4 | C5 | 161.7° | 170.5° |
| C3 | S3 | W1 | S4 | 6.8° | 10.1° |
| C3 | S3 | W1 | S23 | 80.0° | 69.7° |
| C3 | S3 | W1 | S24 | 154.0° | 144.6° |
| C3 | C4 | S4 | C5 | 156.8° | 178.1° |
| C3 | C4 | S4 | W1 | 11.6° | 1.9° |
| C3 | C4 | C5 | N6 | 113.5° | 116.3° |
| C3 | C4 | C5 | C14 | 17.8° | 10.2° |
| C3 | C4 | C5 | H5 | 129.7° | 126.8° |
| C4 | C3 | S3 | W1 | 2.5° | 13.1° |
| S4 | C4 | C5 | N6 | 42.6° | 65.7° |
| S4 | C4 | C5 | C14 | 173.9° | 167.8° |
| S4 | C4 | C5 | H5 | 74.2° | 51.3° |
| C4 | S4 | W1 | S3 | 9.2° | 6.9° |
| C4 | S4 | W1 | S23 | 120.9° | 99.4° |
| C4 | S4 | W1 | S24 | 56.9° | 51.0° |
| C5 | C4 | S4 | W1 | 168.4° | 180.0° |
| C4 | C5 | N6 | C14 | 132.4° | 126.5° |
| C4 | C5 | N6 | H5 | 116.4° | 116.7° |
| C4 | C5 | C14 | H5 | 111.9° | 117.2° |
| C4 | C5 | N6 | C7 | 177.3° | 150.9° |
| C4 | C5 | N6 | H6 | 61.4° | 29.6° |
| C4 | C5 | C14 | N13 | 179.9° | 157.4° |
| C4 | C5 | C14 | O2 | 44.6° | 36.8° |
| C4 | C5 | C14 | H14 | 67.2° | 83.0° |
| S4 | W1 | S23 | C23 | 127.5° | 139.4° |
| S4 | W1 | S24 | C24 | 54.8° | 36.0° |
| S4 | W1 | S3 | S23 | 73.1° | 79.9° |
| S4 | W1 | S3 | S24 | 147.1° | 154.7° |
| S4 | W1 | S23 | S24 | 140.2° | 157.2° |
| N6 | C5 | C14 | H5 | 111.8° | 117.7° |
| C5 | N6 | C7 | H6 | 121.3° | 179.5° |
| C5 | N6 | C7 | C8 | 150.7° | 172.4° |
| C5 | N6 | C7 | C12 | 27.3° | 7.3° |
| N6 | C5 | C14 | N13 | 43.6° | 32.3° |
| N6 | C5 | C14 | O2 | 91.7° | 88.3° |
| N6 | C5 | C14 | H14 | 156.5° | 151.9° |
| C14 | C5 | N6 | C7 | 50.4° | 24.4° |
| C14 | C5 | N6 | H6 | 70.9° | 156.1° |
| C5 | C14 | N13 | C12 | 19.4° | 27.1° |
| C5 | C14 | N13 | O2 | 125.0° | 122.9° |
| C5 | C14 | N13 | H14 | 112.3° | 120.2° |
| C5 | C14 | N13 | H13 | 141.4° | 152.7° |
| C5 | C14 | O2 | H14 | 110.6° | 119.8° |
| H5 | C5 | N6 | C7 | 60.9° | 92.4° |
| H5 | C5 | N6 | H6 | 177.8° | 87.1° |
| H5 | C5 | C14 | N13 | 68.2° | 85.4° |
| H5 | C5 | C14 | O2 | 156.6° | 154.0° |
| H5 | C5 | C14 | H14 | 44.7° | 34.2° |
| N6 | C7 | C8 | C12 | 178.0° | 179.7° |
| N6 | C7 | C8 | O8 | 7.3° | 0.6° |
| N6 | C7 | C8 | N9 | 169.4° | 179.7° |
| N6 | C7 | C12 | N11 | 179.3° | 179.4° |
| N6 | C7 | C12 | N13 | 2.0° | 1.6° |
| H6 | N6 | C7 | C8 | 88.0° | 7.1° |
| H6 | N6 | C7 | C12 | 94.0° | 173.2° |
| C7 | C8 | O8 | N9 | 176.9° | 179.1° |
| C7 | C8 | N9 | C10 | 12.1° | 0.6° |
| C7 | C8 | N9 | H9 | 167.9° | 179.7° |
| C8 | C7 | C12 | N11 | 1.2° | 0.9° |
| C8 | C7 | C12 | N13 | 179.9° | 178.6° |
| C12 | C7 | C8 | O8 | 174.7° | 179.1° |
| C12 | C7 | C8 | N9 | 8.6° | 0.0° |
| C7 | C12 | N11 | C10 | 7.6° | 1.2° |
| C7 | C12 | N11 | N13 | 178.7° | 177.8° |
| C7 | C12 | N13 | C14 | 4.5° | 9.9° |
| C7 | C12 | N13 | H13 | 117.4° | 169.8° |
| O8 | C8 | N9 | C10 | 170.9° | 179.7° |
| O8 | C8 | N9 | H9 | 9.1° | 0.6° |
| C8 | N9 | C10 | H9 | 180.0° | 179.7° |
| C8 | N9 | C10 | N10 | 170.8° | 179.7° |
| C8 | N9 | C10 | N11 | 5.7° | 0.3° |
| N9 | C10 | N10 | N11 | 176.6° | 179.9° |
| N9 | C10 | N10 | H101 | 176.6° | 180.0° |
| N9 | C10 | N10 | H102 | 3.4° | 0.2° |
| N9 | C10 | N11 | C12 | 4.4° | 0.6° |
| H9 | N9 | C10 | N10 | 9.3° | 0.0° |
| H9 | N9 | C10 | N11 | 174.3° | 180.0° |
| C10 | N10 | H101 | H102 | 180.0° | 179.9° |
| N10 | C10 | N11 | C12 | 178.9° | 179.4° |
| N11 | C10 | N10 | H101 | 0.0° | 0.0° |
| N11 | C10 | N10 | H102 | 180.0° | 179.9° |
| C10 | N11 | C12 | N13 | 173.7° | 179.0° |
| N11 | C12 | N13 | C14 | 176.8° | 168.0° |
| N11 | C12 | N13 | H13 | 61.2° | 12.3° |
| C12 | N13 | C14 | H13 | 121.9° | 179.7° |
| C12 | N13 | C14 | O2 | 105.6° | 95.8° |
| C12 | N13 | C14 | H14 | 131.8° | 147.3° |
| N13 | C14 | O2 | H14 | 122.3° | 116.2° |
| H13 | N13 | C14 | O2 | 16.4° | 84.5° |
| H13 | N13 | C14 | H14 | 106.3° | 32.4° |
| C22 | C21 | O8P | H211 | 119.5° | 120.5° |
| C22 | C21 | O8P | H212 | 119.6° | 120.7° |
| C22 | C21 | H211 | H212 | 121.3° | 118.7° |
| C21 | C22 | C23 | O22 | 127.9° | 119.1° |
| C21 | C22 | C23 | H22 | 116.5° | 119.8° |
| C21 | C22 | O22 | H22 | 123.3° | 116.1° |
| C21 | C22 | C23 | S23 | 46.5° | 63.2° |
| C21 | C22 | C23 | C24 | 122.6° | 116.6° |
| C21 | C22 | O22 | C34 | 161.3° | 153.8° |
| C22 | C21 | O8P | P2 | 158.8° | 159.5° |
| O8P | C21 | H211 | H212 | 121.3° | 120.0° |
| O8P | C21 | C22 | C23 | 179.9° | 175.5° |
| O8P | C21 | C22 | O22 | 60.7° | 60.5° |
| O8P | C21 | C22 | H22 | 63.6° | 56.2° |
| C21 | O8P | P2 | O5P | 64.6° | 65.2° |
| C21 | O8P | P2 | O6P | 173.9° | 178.5° |
| C21 | O8P | P2 | O7P | 53.8° | 58.5° |
| H211 | C21 | C22 | C23 | 60.5° | 63.4° |
| H211 | C21 | C22 | O22 | 179.8° | 60.6° |
| H211 | C21 | C22 | H22 | 56.0° | 177.2° |
| H211 | C21 | O8P | P2 | 81.6° | 80.0° |
| H212 | C21 | C22 | C23 | 60.3° | 54.5° |
| H212 | C21 | C22 | O22 | 58.9° | 178.5° |
| H212 | C21 | C22 | H22 | 176.8° | 64.9° |
| H212 | C21 | O8P | P2 | 39.2° | 38.9° |
| C23 | C22 | O22 | H22 | 114.2° | 120.2° |
| C22 | C23 | S23 | C24 | 169.4° | 179.8° |
| C22 | C23 | C24 | S24 | 160.2° | 170.7° |
| C22 | C23 | C24 | C25 | 0.6° | 11.7° |
| C23 | C22 | O22 | C34 | 38.8° | 30.1° |
| C22 | C23 | S23 | W1 | 153.0° | 159.0° |
| O22 | C22 | C23 | S23 | 174.4° | 177.6° |
| O22 | C22 | C23 | C24 | 5.3° | 2.6° |
| C22 | O22 | C34 | C25 | 77.0° | 49.7° |
| C22 | O22 | C34 | N33 | 168.8° | 173.8° |
| C22 | O22 | C34 | H34 | 41.4° | 70.1° |
| H22 | C22 | C23 | S23 | 70.0° | 56.6° |
| H22 | C22 | C23 | C24 | 120.8° | 123.6° |
| H22 | C22 | O22 | C34 | 75.4° | 90.0° |
| S23 | C23 | C24 | S24 | 9.6° | 9.1° |
| S23 | C23 | C24 | C25 | 169.2° | 168.5° |
| C23 | S23 | W1 | S3 | 56.1° | 65.0° |
| C23 | S23 | W1 | S24 | 12.7° | 17.8° |
| C23 | C24 | S24 | C25 | 161.0° | 177.7° |
| C23 | C24 | C25 | N26 | 93.2° | 118.1° |
| C23 | C24 | C25 | C34 | 37.6° | 8.4° |
| C23 | C24 | C25 | H25 | 147.5° | 124.9° |
| C24 | C23 | S23 | W1 | 16.4° | 20.8° |
| C23 | C24 | S24 | W1 | 1.8° | 7.3° |
| S24 | C24 | C25 | N26 | 67.1° | 64.2° |
| S24 | C24 | C25 | C34 | 162.1° | 169.2° |
| S24 | C24 | C25 | H25 | 52.2° | 52.7° |
| C24 | S24 | W1 | S3 | 103.5° | 91.6° |
| C24 | S24 | W1 | S23 | 8.5° | 13.9° |
| C24 | C25 | N26 | C34 | 125.2° | 126.5° |
| C24 | C25 | N26 | H25 | 119.0° | 116.7° |
| C24 | C25 | C34 | H25 | 110.0° | 117.1° |
| C24 | C25 | N26 | C27 | 176.5° | 151.3° |
| C24 | C25 | N26 | H26 | 56.4° | 29.1° |
| C24 | C25 | C34 | N33 | 175.2° | 157.0° |
| C24 | C25 | C34 | O22 | 62.5° | 36.3° |
| C24 | C25 | C34 | H34 | 57.8° | 83.4° |
| C25 | C24 | S24 | W1 | 159.2° | 174.9° |
| N26 | C25 | C34 | H25 | 116.3° | 117.7° |
| C25 | N26 | C27 | H26 | 120.2° | 179.6° |
| C25 | N26 | C27 | C28 | 147.6° | 171.9° |
| C25 | N26 | C27 | C32 | 29.9° | 8.1° |
| N26 | C25 | C34 | N33 | 41.5° | 31.8° |
| N26 | C25 | C34 | O22 | 71.1° | 88.9° |
| N26 | C25 | C34 | H34 | 168.5° | 151.4° |
| C34 | C25 | N26 | C27 | 51.3° | 24.8° |
| C34 | C25 | N26 | H26 | 68.8° | 155.5° |
| C25 | C34 | N33 | C32 | 9.9° | 26.0° |
| C25 | C34 | N33 | O22 | 105.7° | 123.1° |
| C25 | C34 | N33 | H34 | 126.2° | 120.2° |
| C25 | C34 | N33 | H33 | 131.5° | 153.7° |
| C25 | C34 | O22 | H34 | 118.4° | 119.8° |
| H25 | C25 | N26 | C27 | 64.5° | 92.0° |
| H25 | C25 | N26 | H26 | 175.4° | 87.6° |
| H25 | C25 | C34 | N33 | 74.8° | 85.9° |
| H25 | C25 | C34 | O22 | 172.6° | 153.4° |
| H25 | C25 | C34 | H34 | 52.2° | 33.7° |
| N26 | C27 | C28 | C32 | 177.6° | 180.0° |
| N26 | C27 | C28 | O28 | 2.3° | 0.9° |
| N26 | C27 | C28 | N29 | 174.6° | 179.8° |
| N26 | C27 | C32 | N31 | 177.8° | 179.3° |
| N26 | C27 | C32 | N33 | 0.9° | 1.3° |
| H26 | N26 | C27 | C28 | 92.2° | 7.8° |
| H26 | N26 | C27 | C32 | 90.3° | 172.2° |
| C27 | C28 | O28 | N29 | 177.1° | 178.9° |
| C27 | C28 | N29 | C30 | 4.0° | 0.7° |
| C27 | C28 | N29 | H29 | 176.0° | 179.7° |
| C28 | C27 | C32 | N31 | 0.1° | 0.6° |
| C28 | C27 | C32 | N33 | 178.6° | 178.6° |
| C32 | C27 | C28 | O28 | 179.9° | 179.2° |
| C32 | C27 | C28 | N29 | 3.0° | 0.2° |
| C27 | C32 | N31 | C30 | 2.2° | 1.1° |
| C27 | C32 | N31 | N33 | 178.8° | 178.1° |
| C27 | C32 | N33 | C34 | 11.3° | 9.2° |
| C27 | C32 | N33 | H33 | 110.3° | 170.5° |
| O28 | C28 | N29 | C30 | 178.9° | 179.7° |
| O28 | C28 | N29 | H29 | 1.1° | 0.7° |
| C28 | N29 | C30 | H29 | 180.0° | 179.7° |
| C28 | N29 | C30 | N30 | 178.1° | 179.7° |
| C28 | N29 | C30 | N31 | 1.8° | 0.2° |
| N29 | C30 | N30 | N31 | 176.4° | 179.9° |
| N29 | C30 | N30 | H301 | 176.4° | 179.9° |
| N29 | C30 | N30 | H302 | 3.6° | 0.0° |
| N29 | C30 | N31 | C32 | 1.4° | 0.6° |
| H29 | N29 | C30 | N30 | 1.9° | 0.0° |
| H29 | N29 | C30 | N31 | 178.2° | 179.9° |
| C30 | N30 | H301 | H302 | 180.0° | 179.9° |
| N30 | C30 | N31 | C32 | 175.2° | 179.4° |
| N31 | C30 | N30 | H301 | 0.0° | 0.0° |
| N31 | C30 | N30 | H302 | 180.0° | 179.9° |
| C30 | N31 | C32 | N33 | 176.5° | 179.2° |
| N31 | C32 | N33 | C34 | 167.5° | 168.9° |
| N31 | C32 | N33 | H33 | 71.0° | 11.4° |
| C32 | N33 | C34 | H33 | 121.6° | 179.7° |
| C32 | N33 | C34 | O22 | 95.7° | 97.1° |
| C32 | N33 | C34 | H34 | 136.2° | 146.2° |
| N33 | C34 | O22 | H34 | 127.4° | 116.1° |
| H33 | N33 | C34 | O22 | 25.8° | 83.3° |
| H33 | N33 | C34 | H34 | 102.3° | 33.5° |
| O1P | P1 | O2P | O3P | 116.4° | 123.4° |
| O1P | P1 | O2P | O4P | 114.0° | 113.4° |
| O1P | P1 | O3P | O4P | 128.3° | 120.4° |
| O1P | P1 | O2P | HOP2 | 116.5° | 179.8° |
| O2P | P1 | O3P | O4P | 125.1° | 119.6° |
| O2P | P1 | O1P | H1 | 118.2° | 60.0° |
| O3P | P1 | O2P | HOP2 | 0.0° | 56.4° |
| O3P | P1 | O1P | H1 | 0.0° | 176.7° |
| O4P | P1 | O2P | HOP2 | 129.5° | 66.7° |
| O4P | P1 | O1P | H1 | 130.9° | 53.0° |
| O5P | P2 | O6P | O7P | 114.1° | 123.5° |
| O5P | P2 | O6P | O8P | 123.0° | 113.5° |
| O5P | P2 | O7P | O8P | 122.1° | 120.5° |
| O5P | P2 | O6P | HOP6 | 114.1° | 179.9° |
| O6P | P2 | O7P | O8P | 121.3° | 119.4° |
| O6P | P2 | O5P | H3 | 115.6° | 60.1° |
| O7P | P2 | O6P | HOP6 | 0.0° | 56.6° |
| O7P | P2 | O5P | H3 | 0.0° | 176.6° |
| O8P | P2 | O6P | HOP6 | 122.9° | 66.4° |
| O8P | P2 | O5P | H3 | 122.6° | 52.9° |
| S3 | W1 | S23 | S24 | 68.8° | 82.8° |
