A1DCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.47Å | |
| C02 | C03 | sing | 1.54Å | 1.26Å | |
| C02 | C46 | sing | 1.55Å | 1.65Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C03 | O32 | sing | 1.44Å | 1.60Å | |
| C04 | O05 | sing | 1.43Å | 1.41Å | |
| O05 | P06 | sing | 1.61Å | 1.65Å | |
| P06 | O07 | doub | 1.48Å | 1.51Å | |
| P06 | O08 | sing | 1.61Å | 1.65Å | |
| P06 | O31 | sing | 1.61Å | 1.50Å | |
| O08 | P09 | sing | 1.61Å | 1.64Å | |
| P09 | O10 | doub | 1.48Å | 1.51Å | |
| P09 | O11 | sing | 1.61Å | 1.67Å | |
| P09 | O30 | sing | 1.61Å | 1.51Å | |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C13 | O29 | sing | 1.43Å | 1.30Å | |
| C14 | O15 | sing | 1.43Å | 1.32Å | |
| C14 | C16 | sing | 1.53Å | 1.59Å | |
| C16 | O17 | sing | 1.43Å | 1.49Å | |
| C16 | C18 | sing | 1.53Å | 1.28Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| N19 | C20 | sing | 1.36Å | 1.33Å | Aromatic |
| N19 | C28 | sing | 1.37Å | 1.36Å | Aromatic |
| C20 | N21 | doub | 1.30Å | 1.34Å | Aromatic |
| N21 | C22 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | C28 | doub | 1.41Å | 1.38Å | Aromatic |
| C23 | N24 | sing | 1.38Å | 1.47Å | |
| C23 | N25 | doub | 1.33Å | 1.33Å | Aromatic |
| N25 | C26 | sing | 1.32Å | 1.33Å | Aromatic |
| C26 | N27 | doub | 1.32Å | 1.34Å | Aromatic |
| N27 | C28 | sing | 1.33Å | 1.34Å | Aromatic |
| O32 | C33 | sing | 1.44Å | 1.52Å | |
| C33 | N34 | sing | 1.47Å | 1.50Å | |
| C33 | C46 | sing | 1.55Å | 1.31Å | |
| N34 | C35 | doub | 1.32Å | 1.45Å | Aromatic |
| N34 | C42 | sing | 1.32Å | 1.44Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.54Å | Aromatic |
| C36 | C37 | sing | 1.48Å | 1.55Å | |
| C36 | C40 | doub | 1.40Å | 1.55Å | Aromatic |
| C37 | O38 | doub | 1.22Å | 1.19Å | |
| C37 | S39 | sing | 1.76Å | 1.82Å | |
| C40 | C41 | sing | 1.40Å | 1.55Å | Aromatic |
| C41 | C42 | doub | 1.40Å | 1.52Å | Aromatic |
| C41 | C43 | sing | 1.48Å | 1.56Å | |
| C43 | O44 | doub | 1.22Å | 1.19Å | |
| C43 | S45 | sing | 1.76Å | 1.81Å | |
| C46 | O47 | sing | 1.43Å | 1.44Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| O17 | H12 | sing | 0.97Å | 0.95Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| N24 | H16 | sing | 0.97Å | 1.00Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| O29 | H19 | sing | 0.97Å | 0.95Å | |
| O30 | H20 | sing | 0.97Å | 0.95Å | |
| O31 | H21 | sing | 0.97Å | 0.95Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| S39 | H27 | sing | 1.41Å | 1.30Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C42 | H31 | sing | 1.08Å | 1.08Å | |
| S45 | H33 | sing | 1.41Å | 1.30Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| O47 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 110.2° | 110.5° |
| O01 | C02 | C46 | 109.9° | 110.4° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| O01 | C02 | H2 | 109.9° | 110.4° |
| C03 | C02 | C46 | 105.8° | 104.2° |
| C02 | C03 | C04 | 110.2° | 109.8° |
| C02 | C03 | O32 | 105.4° | 107.3° |
| C03 | C02 | H2 | 113.3° | 110.5° |
| C02 | C03 | H3 | 113.5° | 109.9° |
| C02 | C46 | C33 | 105.8° | 102.1° |
| C02 | C46 | O47 | 110.0° | 110.9° |
| C46 | C02 | H2 | 107.6° | 110.6° |
| C02 | C46 | H34 | 107.7° | 110.9° |
| C04 | C03 | O32 | 110.2° | 109.9° |
| C03 | C04 | O05 | 108.3° | 109.5° |
| C04 | C03 | H3 | 109.0° | 109.9° |
| C03 | C04 | H4 | 109.8° | 109.5° |
| C03 | C04 | H5 | 109.8° | 109.5° |
| C03 | O32 | C33 | 105.5° | 107.0° |
| O32 | C03 | H3 | 108.4° | 110.1° |
| C04 | O05 | P06 | 118.6° | 123.0° |
| O05 | C04 | H4 | 109.8° | 109.4° |
| O05 | C04 | H5 | 109.8° | 109.5° |
| O05 | P06 | O07 | 109.4° | 109.5° |
| O05 | P06 | O08 | 109.5° | 109.5° |
| O05 | P06 | O31 | 109.5° | 109.5° |
| O07 | P06 | O08 | 109.5° | 109.5° |
| O07 | P06 | O31 | 109.5° | 109.4° |
| O08 | P06 | O31 | 109.4° | 109.5° |
| P06 | O08 | P09 | 123.6° | 134.0° |
| P06 | O31 | H21 | 109.5° | 114.0° |
| O08 | P09 | O10 | 109.4° | 109.4° |
| O08 | P09 | O11 | 109.5° | 109.5° |
| O08 | P09 | O30 | 109.4° | 109.4° |
| O10 | P09 | O11 | 109.5° | 109.5° |
| O10 | P09 | O30 | 109.5° | 109.5° |
| O11 | P09 | O30 | 109.4° | 109.5° |
| P09 | O11 | C12 | 118.4° | 123.0° |
| P09 | O30 | H20 | 109.5° | 114.0° |
| O11 | C12 | C13 | 108.3° | 109.5° |
| O11 | C12 | H6 | 109.8° | 109.4° |
| O11 | C12 | H7 | 109.7° | 109.4° |
| C12 | C13 | C14 | 110.0° | 109.4° |
| C12 | C13 | O29 | 110.2° | 109.5° |
| C13 | C12 | H6 | 109.7° | 109.5° |
| C13 | C12 | H7 | 109.8° | 109.5° |
| C12 | C13 | H8 | 109.0° | 109.5° |
| C14 | C13 | O29 | 105.6° | 109.5° |
| C13 | C14 | O15 | 110.2° | 109.5° |
| C13 | C14 | C16 | 105.6° | 109.4° |
| C14 | C13 | H8 | 109.0° | 109.5° |
| C13 | C14 | H9 | 109.1° | 109.5° |
| O29 | C13 | H8 | 112.9° | 109.5° |
| C13 | O29 | H19 | 109.5° | 113.9° |
| O15 | C14 | C16 | 110.2° | 109.5° |
| O15 | C14 | H9 | 112.7° | 109.5° |
| C14 | O15 | H10 | 109.5° | 114.1° |
| C14 | C16 | O17 | 110.0° | 109.5° |
| C14 | C16 | C18 | 105.4° | 109.4° |
| C16 | C14 | H9 | 108.7° | 109.5° |
| C14 | C16 | H11 | 108.4° | 109.5° |
| O17 | C16 | C18 | 110.1° | 109.5° |
| O17 | C16 | H11 | 109.8° | 109.5° |
| C16 | O17 | H12 | 109.5° | 114.0° |
| C16 | C18 | N19 | 110.1° | 109.5° |
| C18 | C16 | H11 | 113.1° | 109.5° |
| C16 | C18 | H13 | 109.3° | 109.5° |
| C16 | C18 | H14 | 109.3° | 109.4° |
| C18 | N19 | C20 | 126.0° | 126.3° |
| C18 | N19 | C28 | 126.0° | 126.3° |
| N19 | C18 | H13 | 109.3° | 109.5° |
| N19 | C18 | H14 | 109.3° | 109.5° |
| C20 | N19 | C28 | 108.0° | 107.5° |
| N19 | C20 | N21 | 109.5° | 109.9° |
| N19 | C20 | H15 | 125.2° | 125.0° |
| N19 | C28 | C22 | 107.5° | 106.0° |
| N19 | C28 | N27 | 132.2° | 134.9° |
| C20 | N21 | C22 | 108.5° | 109.5° |
| N21 | C20 | H15 | 125.2° | 125.1° |
| N21 | C22 | C23 | 135.2° | 134.7° |
| N21 | C22 | C28 | 106.6° | 107.1° |
| C23 | C22 | C28 | 118.1° | 118.2° |
| C22 | C23 | N24 | 120.4° | 120.8° |
| C22 | C23 | N25 | 118.9° | 118.4° |
| C22 | C28 | N27 | 120.2° | 119.1° |
| N24 | C23 | N25 | 120.5° | 120.8° |
| C23 | N24 | H16 | 109.5° | 120.0° |
| C23 | N24 | H17 | 109.4° | 120.0° |
| C23 | N25 | C26 | 121.0° | 121.2° |
| N25 | C26 | N27 | 122.2° | 122.4° |
| N25 | C26 | H18 | 118.9° | 118.8° |
| C26 | N27 | C28 | 119.7° | 120.6° |
| N27 | C26 | H18 | 118.9° | 118.8° |
| O32 | C33 | N34 | 110.3° | 110.6° |
| O32 | C33 | C46 | 105.5° | 103.5° |
| O32 | C33 | H22 | 109.1° | 110.7° |
| N34 | C33 | C46 | 110.3° | 110.6° |
| C33 | N34 | C35 | 120.2° | 118.9° |
| C33 | N34 | C42 | 120.1° | 119.0° |
| N34 | C33 | H22 | 109.4° | 110.6° |
| C33 | C46 | O47 | 110.2° | 110.9° |
| C46 | C33 | H22 | 112.2° | 110.8° |
| C33 | C46 | H34 | 112.5° | 110.9° |
| C35 | N34 | C42 | 119.7° | 122.1° |
| N34 | C35 | C36 | 119.9° | 120.9° |
| N34 | C35 | H24 | 120.0° | 119.6° |
| N34 | C42 | C41 | 120.1° | 120.9° |
| N34 | C42 | H31 | 119.9° | 119.6° |
| C35 | C36 | C37 | 119.9° | 120.5° |
| C35 | C36 | C40 | 120.0° | 119.0° |
| C36 | C35 | H24 | 120.0° | 119.5° |
| C37 | C36 | C40 | 119.8° | 120.5° |
| C36 | C37 | O38 | 120.0° | 120.0° |
| C36 | C37 | S39 | 120.1° | 120.0° |
| C36 | C40 | C41 | 112.9° | 118.2° |
| C36 | C40 | H28 | 123.5° | 120.9° |
| O38 | C37 | S39 | 119.9° | 120.0° |
| C37 | S39 | H27 | 102.0° | 100.0° |
| C40 | C41 | C42 | 120.0° | 119.0° |
| C40 | C41 | C43 | 119.9° | 120.5° |
| C41 | C40 | H28 | 123.5° | 120.9° |
| C42 | C41 | C43 | 119.9° | 120.5° |
| C41 | C42 | H31 | 120.0° | 119.5° |
| C41 | C43 | O44 | 119.9° | 120.0° |
| C41 | C43 | S45 | 120.1° | 120.0° |
| O44 | C43 | S45 | 120.0° | 120.0° |
| C43 | S45 | H33 | 102.0° | 100.0° |
| O47 | C46 | H34 | 110.5° | 110.8° |
| C46 | O47 | H35 | 109.5° | 114.0° |
| H4 | C04 | H5 | 109.4° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H16 | N24 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C46 | 118.7° | 118.6° |
| O01 | C02 | C03 | H2 | 123.6° | 122.5° |
| O01 | C02 | C46 | H2 | 119.7° | 122.5° |
| O01 | C02 | C03 | C04 | 149.3° | 119.9° |
| O01 | C02 | C03 | O32 | 91.7° | 120.7° |
| O01 | C02 | C46 | C33 | 81.3° | 97.8° |
| O01 | C02 | C46 | O47 | 37.7° | 20.4° |
| O01 | C02 | C03 | H3 | 26.7° | 1.1° |
| O01 | C02 | C46 | H34 | 158.2° | 144.0° |
| C03 | C02 | C46 | H2 | 121.4° | 118.8° |
| C02 | C03 | C04 | O32 | 116.0° | 117.8° |
| C02 | C03 | C04 | H3 | 125.2° | 121.0° |
| C02 | C03 | O32 | H3 | 121.9° | 119.5° |
| C02 | C03 | C04 | O05 | 89.1° | 175.0° |
| C02 | C03 | O32 | C33 | 12.3° | 26.6° |
| C03 | C02 | C46 | C33 | 37.6° | 20.9° |
| C03 | C02 | C46 | O47 | 156.6° | 139.0° |
| C03 | C02 | O01 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | H4 | 30.7° | 55.0° |
| C02 | C03 | C04 | H5 | 151.0° | 65.0° |
| C03 | C02 | C46 | H34 | 82.9° | 97.3° |
| C46 | C02 | C03 | C04 | 92.0° | 121.5° |
| C46 | C02 | C03 | O32 | 27.0° | 2.1° |
| C02 | C46 | C33 | O32 | 27.0° | 37.1° |
| C02 | C46 | C33 | N34 | 146.1° | 155.5° |
| C02 | C46 | C33 | O47 | 118.9° | 118.2° |
| C02 | C46 | C33 | H34 | 117.4° | 118.2° |
| C02 | C46 | O47 | H34 | 118.8° | 123.7° |
| C46 | C02 | O01 | H1 | 63.8° | 65.2° |
| C46 | C02 | C03 | H3 | 145.5° | 117.6° |
| C02 | C46 | C33 | H22 | 91.7° | 81.6° |
| C02 | C46 | O47 | H35 | 180.0° | 61.5° |
| C04 | C03 | O32 | H3 | 119.2° | 121.1° |
| C03 | C04 | O05 | H4 | 119.8° | 120.0° |
| C03 | C04 | O05 | H5 | 119.8° | 120.0° |
| C03 | C04 | O05 | P06 | 163.9° | 180.0° |
| C04 | C03 | O32 | C33 | 106.6° | 145.9° |
| C04 | C03 | C02 | H2 | 25.7° | 2.6° |
| C03 | C04 | H4 | H5 | 120.5° | 120.0° |
| O32 | C03 | C04 | O05 | 154.9° | 67.2° |
| C03 | O32 | C33 | N34 | 131.5° | 158.6° |
| C03 | O32 | C33 | C46 | 12.4° | 40.1° |
| O32 | C03 | C02 | H2 | 144.7° | 116.8° |
| O32 | C03 | C04 | H4 | 85.3° | 172.8° |
| O32 | C03 | C04 | H5 | 35.0° | 52.8° |
| C03 | O32 | C33 | H22 | 108.4° | 78.6° |
| C04 | O05 | P06 | O07 | 37.5° | 55.0° |
| C04 | O05 | P06 | O08 | 157.5° | 175.0° |
| C04 | O05 | P06 | O31 | 82.6° | 65.0° |
| O05 | C04 | C03 | H3 | 36.1° | 54.0° |
| O05 | C04 | H4 | H5 | 120.6° | 120.0° |
| O05 | P06 | O07 | O08 | 120.1° | 120.0° |
| O05 | P06 | O07 | O31 | 120.0° | 119.9° |
| O05 | P06 | O08 | O31 | 120.0° | 120.0° |
| O05 | P06 | O08 | P09 | 129.2° | 165.0° |
| P06 | O05 | C04 | H4 | 76.3° | 60.0° |
| P06 | O05 | C04 | H5 | 44.1° | 60.0° |
| O05 | P06 | O31 | H21 | 119.9° | 60.0° |
| O07 | P06 | O08 | O31 | 120.0° | 120.0° |
| O07 | P06 | O08 | P09 | 9.2° | 45.0° |
| O07 | P06 | O31 | H21 | 0.0° | 180.0° |
| P06 | O08 | P09 | O10 | 74.0° | 40.0° |
| P06 | O08 | P09 | O11 | 165.9° | 160.0° |
| P06 | O08 | P09 | O30 | 46.0° | 80.0° |
| O08 | P06 | O31 | H21 | 120.1° | 60.0° |
| O31 | P06 | O08 | P09 | 110.8° | 75.0° |
| O08 | P09 | O10 | O11 | 120.0° | 120.0° |
| O08 | P09 | O10 | O30 | 120.0° | 119.9° |
| O08 | P09 | O11 | O30 | 119.9° | 120.0° |
| O08 | P09 | O11 | C12 | 165.4° | 175.0° |
| O08 | P09 | O30 | H20 | 119.9° | 60.0° |
| O10 | P09 | O11 | O30 | 120.1° | 120.0° |
| O10 | P09 | O11 | C12 | 74.6° | 55.0° |
| O10 | P09 | O30 | H20 | 0.0° | 180.0° |
| P09 | O11 | C12 | C13 | 169.0° | 180.0° |
| P09 | O11 | C12 | H6 | 49.2° | 60.0° |
| P09 | O11 | C12 | H7 | 71.2° | 60.0° |
| O11 | P09 | O30 | H20 | 120.1° | 60.0° |
| O30 | P09 | O11 | C12 | 45.5° | 65.0° |
| O11 | C12 | C13 | H6 | 119.8° | 120.0° |
| O11 | C12 | C13 | H7 | 119.8° | 119.9° |
| O11 | C12 | C13 | C14 | 97.9° | 175.0° |
| O11 | C12 | C13 | O29 | 146.2° | 65.0° |
| O11 | C12 | H6 | H7 | 120.5° | 119.9° |
| O11 | C12 | C13 | H8 | 21.7° | 55.0° |
| C12 | C13 | C14 | O29 | 118.9° | 120.0° |
| C12 | C13 | C14 | H8 | 119.6° | 120.0° |
| C12 | C13 | O29 | H8 | 122.2° | 120.0° |
| C12 | C13 | C14 | O15 | 109.7° | 60.0° |
| C12 | C13 | C14 | C16 | 131.3° | NaN° |
| C13 | C12 | H6 | H7 | 120.5° | 120.1° |
| C12 | C13 | C14 | H9 | 14.6° | 60.0° |
| C12 | C13 | O29 | H19 | 180.0° | 60.0° |
| C14 | C13 | O29 | H8 | 119.0° | 120.0° |
| C13 | C14 | O15 | C16 | 116.2° | 120.0° |
| C13 | C14 | O15 | H9 | 122.2° | 120.0° |
| C13 | C14 | C16 | H9 | 117.0° | 120.0° |
| C13 | C14 | C16 | O17 | 131.2° | 60.0° |
| C13 | C14 | C16 | C18 | 12.5° | NaN° |
| C14 | C13 | C12 | H6 | 142.3° | 65.0° |
| C14 | C13 | C12 | H7 | 22.0° | 55.0° |
| C13 | C14 | O15 | H10 | 180.0° | 60.0° |
| C13 | C14 | C16 | H11 | 108.8° | 60.0° |
| C14 | C13 | O29 | H19 | 61.2° | 60.0° |
| O29 | C13 | C14 | O15 | 131.5° | 180.0° |
| O29 | C13 | C14 | C16 | 12.4° | 60.0° |
| O29 | C13 | C12 | H6 | 26.3° | 55.0° |
| O29 | C13 | C12 | H7 | 94.0° | 175.0° |
| O29 | C13 | C14 | H9 | 104.3° | 60.0° |
| O15 | C14 | C16 | H9 | 124.0° | 120.0° |
| O15 | C14 | C16 | O17 | 12.1° | 180.0° |
| O15 | C14 | C16 | C18 | 106.5° | 60.0° |
| O15 | C14 | C13 | H8 | 9.9° | 60.0° |
| O15 | C14 | C16 | H11 | 132.1° | 60.0° |
| C14 | C16 | O17 | C18 | 115.7° | 120.0° |
| C14 | C16 | O17 | H11 | 119.1° | 120.0° |
| C14 | C16 | C18 | H11 | 118.2° | 120.0° |
| C14 | C16 | C18 | N19 | 146.2° | 175.0° |
| C16 | C14 | C13 | H8 | 109.1° | 60.0° |
| C16 | C14 | O15 | H10 | 63.9° | 60.0° |
| C14 | C16 | O17 | H12 | 180.0° | 60.0° |
| C14 | C16 | C18 | H13 | 93.7° | 65.0° |
| C14 | C16 | C18 | H14 | 26.1° | 55.0° |
| O17 | C16 | C18 | H11 | 123.2° | 120.0° |
| O17 | C16 | C18 | N19 | 95.2° | 65.0° |
| O17 | C16 | C14 | H9 | 111.8° | 60.0° |
| O17 | C16 | C18 | H13 | 24.9° | 55.0° |
| O17 | C16 | C18 | H14 | 144.7° | 174.9° |
| C16 | C18 | N19 | H13 | 120.1° | 120.0° |
| C16 | C18 | N19 | H14 | 120.1° | 120.0° |
| C16 | C18 | N19 | C20 | 66.4° | 95.0° |
| C16 | C18 | N19 | C28 | 114.8° | 84.7° |
| C18 | C16 | C14 | H9 | 129.5° | 60.0° |
| C18 | C16 | O17 | H12 | 64.3° | 60.0° |
| C16 | C18 | H13 | H14 | 119.7° | 120.0° |
| C18 | N19 | C20 | C28 | 179.0° | 179.7° |
| C18 | N19 | C20 | N21 | 179.0° | 180.0° |
| C18 | N19 | C28 | C22 | 179.1° | 179.9° |
| C18 | N19 | C28 | N27 | 3.4° | 0.8° |
| N19 | C18 | C16 | H11 | 28.0° | 55.0° |
| N19 | C18 | H13 | H14 | 119.7° | 120.0° |
| C18 | N19 | C20 | H15 | 1.0° | 0.0° |
| N19 | C20 | N21 | H15 | 180.0° | 180.0° |
| N19 | C20 | N21 | C22 | 0.0° | 0.0° |
| C20 | N19 | C28 | C22 | 0.0° | 0.4° |
| C20 | N19 | C28 | N27 | 175.6° | 179.5° |
| C20 | N19 | C18 | H13 | 173.5° | 145.0° |
| C20 | N19 | C18 | H14 | 53.7° | 25.0° |
| C28 | N19 | C20 | N21 | 0.0° | 0.3° |
| N19 | C28 | C22 | N21 | 0.0° | 0.4° |
| N19 | C28 | C22 | C23 | 176.3° | 179.8° |
| N19 | C28 | C22 | N27 | 176.3° | 179.3° |
| N19 | C28 | N27 | C26 | 175.2° | 179.6° |
| C28 | N19 | C18 | H13 | 5.3° | 35.3° |
| C28 | N19 | C18 | H14 | 125.1° | 155.3° |
| C28 | N19 | C20 | H15 | 180.0° | 179.7° |
| C20 | N21 | C22 | C23 | 175.3° | 180.0° |
| C20 | N21 | C22 | C28 | 0.1° | 0.2° |
| N21 | C22 | C23 | C28 | 174.9° | 179.8° |
| N21 | C22 | C23 | N24 | 0.7° | 0.1° |
| N21 | C22 | C23 | N25 | 174.9° | 180.0° |
| N21 | C22 | C28 | N27 | 176.2° | 179.6° |
| C22 | N21 | C20 | H15 | 180.0° | 180.0° |
| C22 | C23 | N24 | N25 | 174.1° | 179.9° |
| C22 | C23 | N25 | C26 | 0.0° | 0.0° |
| C23 | C22 | C28 | N27 | 0.0° | 0.5° |
| C22 | C23 | N24 | H16 | 174.1° | 0.1° |
| C22 | C23 | N24 | H17 | 54.1° | 180.0° |
| C28 | C22 | C23 | N24 | 174.2° | 179.7° |
| C28 | C22 | C23 | N25 | 0.0° | 0.2° |
| C22 | C28 | N27 | C26 | 0.0° | 0.6° |
| N24 | C23 | N25 | C26 | 174.2° | 180.0° |
| C23 | N24 | H16 | H17 | 120.0° | 179.9° |
| C23 | N25 | C26 | N27 | 0.1° | 0.0° |
| N25 | C23 | N24 | H16 | 0.0° | 180.0° |
| N25 | C23 | N24 | H17 | 120.0° | 0.1° |
| C23 | N25 | C26 | H18 | 179.9° | 180.0° |
| N25 | C26 | N27 | H18 | 180.0° | 180.0° |
| N25 | C26 | N27 | C28 | 0.0° | 0.3° |
| C28 | N27 | C26 | H18 | 180.0° | 179.7° |
| O32 | C33 | N34 | C46 | 116.2° | 114.0° |
| O32 | C33 | N34 | H22 | 120.0° | 122.9° |
| O32 | C33 | C46 | H22 | 118.7° | 118.6° |
| O32 | C33 | N34 | C35 | 13.4° | 141.5° |
| O32 | C33 | N34 | C42 | 167.2° | 38.2° |
| O32 | C33 | C46 | O47 | 145.9° | 155.2° |
| C33 | O32 | C03 | H3 | 134.2° | 92.9° |
| O32 | C33 | C46 | H34 | 90.4° | 81.1° |
| N34 | C33 | C46 | H22 | 122.2° | 122.9° |
| C33 | N34 | C35 | C42 | 179.4° | 179.7° |
| C33 | N34 | C35 | C36 | 164.9° | 180.0° |
| C33 | N34 | C42 | C41 | 170.4° | 179.8° |
| N34 | C33 | C46 | O47 | 95.1° | 86.3° |
| C33 | N34 | C35 | H24 | 15.1° | 0.0° |
| C33 | N34 | C42 | H31 | 9.7° | 0.1° |
| N34 | C33 | C46 | H34 | 28.7° | 37.3° |
| C46 | C33 | N34 | C35 | 129.6° | 104.5° |
| C46 | C33 | N34 | C42 | 51.0° | 75.8° |
| C33 | C46 | O47 | H34 | 125.0° | 123.7° |
| C33 | C46 | C02 | H2 | 159.0° | 139.7° |
| C33 | C46 | O47 | H35 | 63.8° | 174.1° |
| N34 | C35 | C36 | H24 | 180.0° | 180.0° |
| N34 | C35 | C36 | C37 | 151.2° | 180.0° |
| N34 | C35 | C36 | C40 | 22.6° | 0.0° |
| C35 | N34 | C42 | C41 | 10.2° | 0.6° |
| C35 | N34 | C33 | H22 | 106.5° | 18.6° |
| C35 | N34 | C42 | H31 | 169.7° | 179.8° |
| C42 | N34 | C35 | C36 | 14.5° | 0.3° |
| N34 | C42 | C41 | C40 | 27.8° | 0.5° |
| N34 | C42 | C41 | H31 | 180.0° | 179.7° |
| N34 | C42 | C41 | C43 | 156.7° | 179.7° |
| C42 | N34 | C33 | H22 | 72.9° | 161.1° |
| C42 | N34 | C35 | H24 | 165.5° | 179.7° |
| C35 | C36 | C37 | C40 | 173.8° | 180.0° |
| C35 | C36 | C37 | O38 | 0.1° | 0.1° |
| C35 | C36 | C37 | S39 | 177.9° | 180.0° |
| C35 | C36 | C40 | C41 | 5.5° | 0.1° |
| C35 | C36 | C40 | H28 | 174.5° | 180.0° |
| C36 | C37 | O38 | S39 | 177.8° | 179.9° |
| C37 | C36 | C40 | C41 | 168.3° | 180.0° |
| C37 | C36 | C35 | H24 | 28.8° | 0.1° |
| C36 | C37 | S39 | H27 | 177.8° | 180.0° |
| C37 | C36 | C40 | H28 | 11.7° | 0.1° |
| C40 | C36 | C37 | O38 | 173.7° | 180.0° |
| C40 | C36 | C37 | S39 | 4.1° | 0.0° |
| C36 | C40 | C41 | H28 | 180.0° | 179.9° |
| C36 | C40 | C41 | C42 | 18.5° | 0.2° |
| C36 | C40 | C41 | C43 | 166.0° | 180.0° |
| C40 | C36 | C35 | H24 | 157.4° | 180.0° |
| O38 | C37 | S39 | H27 | 0.0° | 0.0° |
| C40 | C41 | C42 | C43 | 175.6° | 179.8° |
| C40 | C41 | C43 | O44 | 180.0° | 180.0° |
| C40 | C41 | C43 | S45 | 0.7° | 0.0° |
| C40 | C41 | C42 | H31 | 152.2° | 179.8° |
| C42 | C41 | C43 | O44 | 4.4° | 0.3° |
| C42 | C41 | C43 | S45 | 174.9° | 179.8° |
| C42 | C41 | C40 | H28 | 161.5° | 179.7° |
| C41 | C43 | O44 | S45 | 179.3° | 179.9° |
| C43 | C41 | C40 | H28 | 14.0° | 0.0° |
| C43 | C41 | C42 | H31 | 23.4° | 0.1° |
| C41 | C43 | S45 | H33 | 179.3° | 180.0° |
| O44 | C43 | S45 | H33 | 0.0° | 0.1° |
| O47 | C46 | C02 | H2 | 82.0° | 102.2° |
| O47 | C46 | C33 | H22 | 27.2° | 36.6° |
| H1 | O01 | C02 | H2 | 54.5° | 57.4° |
| H2 | C02 | C03 | H3 | 96.8° | 123.6° |
| H2 | C02 | C46 | H34 | 38.5° | 21.5° |
| H3 | C03 | C04 | H4 | 155.9° | 65.9° |
| H3 | C03 | C04 | H5 | 83.8° | 174.1° |
| H6 | C12 | C13 | H8 | 98.1° | 175.0° |
| H7 | C12 | C13 | H8 | 141.5° | 64.9° |
| H8 | C13 | C14 | H9 | 134.2° | 180.0° |
| H8 | C13 | O29 | H19 | 57.8° | 180.0° |
| H9 | C14 | O15 | H10 | 57.8° | 180.0° |
| H9 | C14 | C16 | H11 | 8.2° | 180.0° |
| H11 | C16 | O17 | H12 | 60.8° | 180.0° |
| H11 | C16 | C18 | H13 | 148.1° | 175.0° |
| H11 | C16 | C18 | H14 | 92.1° | 65.0° |
| H22 | C33 | C46 | H34 | 150.9° | 160.3° |
| H34 | C46 | O47 | H35 | 61.2° | 62.2° |
