A1D88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | P23 | doub | 1.48Å | 1.51Å | |
| O25 | P23 | sing | 1.61Å | 1.49Å | |
| P23 | O26 | sing | 1.61Å | 1.62Å | |
| P23 | O22 | sing | 1.61Å | 1.64Å | |
| O26 | P27 | sing | 1.61Å | 1.63Å | |
| O28 | P27 | doub | 1.48Å | 1.50Å | |
| O22 | C21 | sing | 1.43Å | 1.39Å | |
| C21 | C18 | sing | 1.53Å | 1.54Å | |
| P27 | O29 | sing | 1.61Å | 1.48Å | |
| P27 | O30 | sing | 1.61Å | 1.62Å | |
| C31 | O30 | sing | 1.43Å | 1.38Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.58Å | |
| O52 | P49 | doub | 1.48Å | 1.50Å | |
| C32 | C33 | sing | 1.54Å | 1.57Å | |
| C32 | O36 | sing | 1.44Å | 1.31Å | |
| C17 | O53 | sing | 1.43Å | 1.38Å | |
| C17 | C15 | sing | 1.51Å | 1.55Å | |
| C33 | O48 | sing | 1.43Å | 1.40Å | |
| C33 | C34 | sing | 1.54Å | 1.51Å | |
| P49 | O50 | sing | 1.61Å | 1.50Å | |
| P49 | O48 | sing | 1.61Å | 1.63Å | |
| P49 | O51 | sing | 1.61Å | 1.49Å | |
| O36 | C35 | sing | 1.44Å | 1.61Å | |
| C15 | O16 | doub | 1.21Å | 1.17Å | |
| C15 | N14 | sing | 1.35Å | 1.44Å | |
| C34 | C35 | sing | 1.54Å | 1.34Å | |
| C34 | O47 | sing | 1.43Å | 1.38Å | |
| C35 | N37 | sing | 1.46Å | 1.47Å | |
| C38 | N37 | sing | 1.36Å | 1.33Å | Aromatic |
| C38 | N39 | doub | 1.30Å | 1.31Å | Aromatic |
| N14 | C13 | sing | 1.46Å | 1.46Å | |
| N37 | C45 | sing | 1.37Å | 1.31Å | Aromatic |
| N39 | C40 | sing | 1.35Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C10 | sing | 1.51Å | 1.53Å | |
| C45 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C45 | N44 | sing | 1.33Å | 1.31Å | Aromatic |
| C40 | C41 | sing | 1.41Å | 1.40Å | Aromatic |
| N44 | C43 | doub | 1.32Å | 1.31Å | Aromatic |
| C10 | O11 | doub | 1.21Å | 1.19Å | |
| C10 | N09 | sing | 1.35Å | 1.45Å | |
| C41 | N46 | sing | 1.38Å | 1.45Å | |
| C41 | N42 | doub | 1.33Å | 1.29Å | Aromatic |
| C43 | N42 | sing | 1.32Å | 1.32Å | Aromatic |
| N09 | C08 | sing | 1.46Å | 1.43Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | S06 | sing | 1.81Å | 1.82Å | |
| O05 | C04 | doub | 1.22Å | 1.16Å | |
| S06 | C04 | sing | 1.76Å | 1.82Å | |
| C04 | C03 | sing | 1.47Å | 1.50Å | |
| C03 | C02 | doub | 1.33Å | 1.29Å | |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N14 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| O29 | H26 | sing | 0.97Å | 0.95Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C43 | H34 | sing | 1.08Å | 1.08Å | |
| N46 | H35 | sing | 0.97Å | 1.00Å | |
| N46 | H36 | sing | 0.97Å | 1.00Å | |
| O47 | H37 | sing | 0.97Å | 0.95Å | |
| O50 | H38 | sing | 0.97Å | 0.95Å | |
| O51 | H39 | sing | 0.97Å | 0.95Å | |
| O53 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | P23 | O25 | 111.2° | 109.5° |
| O24 | P23 | O26 | 106.7° | 109.4° |
| O24 | P23 | O22 | 109.5° | 109.5° |
| O25 | P23 | O26 | 108.4° | 109.5° |
| O25 | P23 | O22 | 109.9° | 109.5° |
| P23 | O25 | H25 | 109.5° | 114.0° |
| O26 | P23 | O22 | 111.0° | 109.5° |
| P23 | O26 | P27 | 129.4° | 134.0° |
| P23 | O22 | C21 | 118.3° | 123.0° |
| O26 | P27 | O28 | 106.9° | 109.5° |
| O26 | P27 | O29 | 116.9° | 109.5° |
| O26 | P27 | O30 | 103.4° | 109.5° |
| O28 | P27 | O29 | 109.2° | 109.5° |
| O28 | P27 | O30 | 105.1° | 109.5° |
| O22 | C21 | C18 | 108.0° | 109.5° |
| O22 | C21 | H23 | 109.8° | 109.5° |
| O22 | C21 | H24 | 109.8° | 109.5° |
| C21 | C18 | C19 | 107.6° | 109.4° |
| C21 | C18 | C20 | 108.5° | 109.4° |
| C21 | C18 | C17 | 110.8° | 109.4° |
| C18 | C21 | H23 | 109.8° | 109.5° |
| C18 | C21 | H24 | 109.9° | 109.4° |
| O29 | P27 | O30 | 114.5° | 109.4° |
| P27 | O29 | H26 | 109.5° | 114.0° |
| P27 | O30 | C31 | 113.8° | 123.0° |
| O30 | C31 | C32 | 105.1° | 109.5° |
| O30 | C31 | H27 | 110.6° | 109.5° |
| O30 | C31 | H28 | 110.5° | 109.4° |
| C31 | C32 | C33 | 109.7° | 110.4° |
| C31 | C32 | O36 | 106.0° | 110.3° |
| C32 | C31 | H27 | 110.6° | 109.5° |
| C32 | C31 | H28 | 110.6° | 109.5° |
| C31 | C32 | H29 | 110.8° | 110.4° |
| C19 | C18 | C20 | 109.1° | 109.5° |
| C19 | C18 | C17 | 108.1° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.4° | 109.5° |
| C20 | C18 | C17 | 112.5° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C20 | H21 | 109.5° | 109.5° |
| C18 | C20 | H22 | 109.5° | 109.5° |
| C18 | C17 | O53 | 112.5° | 109.5° |
| C18 | C17 | C15 | 114.5° | 109.4° |
| C18 | C17 | H16 | 106.7° | 109.5° |
| O52 | P49 | O50 | 108.5° | 109.5° |
| O52 | P49 | O48 | 108.9° | 109.5° |
| O52 | P49 | O51 | 111.1° | 109.4° |
| C33 | C32 | O36 | 105.3° | 104.8° |
| C32 | C33 | O48 | 106.5° | 110.5° |
| C32 | C33 | C34 | 103.0° | 104.1° |
| C33 | C32 | H29 | 110.2° | 110.4° |
| C32 | C33 | H30 | 112.5° | 110.5° |
| C32 | O36 | C35 | 107.5° | 105.3° |
| O36 | C32 | H29 | 114.6° | 110.5° |
| O53 | C17 | C15 | 106.8° | 109.4° |
| O53 | C17 | H16 | 109.1° | 109.5° |
| C17 | O53 | H40 | 109.5° | 114.0° |
| C17 | C15 | O16 | 119.3° | 119.9° |
| C17 | C15 | N14 | 120.9° | 120.0° |
| C15 | C17 | H16 | 107.0° | 109.5° |
| O48 | C33 | C34 | 104.7° | 110.5° |
| C33 | O48 | P49 | 123.2° | 123.0° |
| O48 | C33 | H30 | 115.5° | 110.4° |
| C33 | C34 | C35 | 102.6° | 104.1° |
| C33 | C34 | O47 | 111.2° | 110.5° |
| C34 | C33 | H30 | 113.5° | 110.7° |
| C33 | C34 | H31 | 107.8° | 110.5° |
| O50 | P49 | O48 | 111.1° | 109.5° |
| O50 | P49 | O51 | 110.8° | 109.4° |
| P49 | O50 | H38 | 109.5° | 114.0° |
| O48 | P49 | O51 | 106.4° | 109.5° |
| P49 | O51 | H39 | 109.5° | 114.0° |
| O36 | C35 | C34 | 101.6° | 104.8° |
| O36 | C35 | N37 | 109.2° | 110.3° |
| O36 | C35 | H32 | 110.2° | 110.4° |
| O16 | C15 | N14 | 119.8° | 120.0° |
| C15 | N14 | C13 | 120.2° | 120.0° |
| C15 | N14 | H15 | 119.9° | 120.0° |
| C35 | C34 | O47 | 114.8° | 110.5° |
| C34 | C35 | N37 | 108.6° | 110.4° |
| C35 | C34 | H31 | 110.3° | 110.5° |
| C34 | C35 | H32 | 114.5° | 110.4° |
| O47 | C34 | H31 | 109.7° | 110.5° |
| C34 | O47 | H37 | 109.5° | 114.0° |
| C35 | N37 | C38 | 126.2° | 126.3° |
| C35 | N37 | C45 | 124.9° | 126.3° |
| N37 | C35 | H32 | 112.1° | 110.4° |
| N37 | C38 | N39 | 109.4° | 110.0° |
| C38 | N37 | C45 | 108.9° | 107.4° |
| N37 | C38 | H33 | 125.3° | 125.0° |
| C38 | N39 | C40 | 108.0° | 109.4° |
| N39 | C38 | H33 | 125.3° | 125.1° |
| N14 | C13 | C12 | 113.1° | 109.5° |
| N14 | C13 | H13 | 108.6° | 109.5° |
| N14 | C13 | H14 | 108.6° | 109.5° |
| C13 | N14 | H15 | 119.9° | 120.0° |
| N37 | C45 | C40 | 106.4° | 106.0° |
| N37 | C45 | N44 | 131.7° | 134.9° |
| N39 | C40 | C45 | 107.3° | 107.1° |
| N39 | C40 | C41 | 135.5° | 134.7° |
| C13 | C12 | C10 | 105.8° | 109.5° |
| C13 | C12 | H11 | 110.4° | 109.4° |
| C13 | C12 | H12 | 110.4° | 109.5° |
| C12 | C13 | H13 | 108.5° | 109.4° |
| C12 | C13 | H14 | 108.6° | 109.5° |
| C12 | C10 | O11 | 120.4° | 120.0° |
| C12 | C10 | N09 | 118.1° | 120.0° |
| C10 | C12 | H11 | 110.4° | 109.4° |
| C10 | C12 | H12 | 110.4° | 109.5° |
| C40 | C45 | N44 | 121.9° | 119.1° |
| C45 | C40 | C41 | 117.2° | 118.2° |
| C45 | N44 | C43 | 118.3° | 120.6° |
| C40 | C41 | N46 | 123.7° | 120.8° |
| C40 | C41 | N42 | 117.2° | 118.5° |
| N44 | C43 | N42 | 121.6° | 122.4° |
| N44 | C43 | H34 | 119.2° | 118.8° |
| O11 | C10 | N09 | 121.5° | 120.0° |
| C10 | N09 | C08 | 115.8° | 120.0° |
| C10 | N09 | H10 | 122.1° | 119.9° |
| N46 | C41 | N42 | 119.0° | 120.7° |
| C41 | N46 | H35 | 109.5° | 120.0° |
| C41 | N46 | H36 | 109.5° | 120.0° |
| C41 | N42 | C43 | 123.8° | 121.2° |
| N42 | C43 | H34 | 119.2° | 118.8° |
| N09 | C08 | C07 | 110.7° | 109.5° |
| N09 | C08 | H8 | 109.2° | 109.4° |
| N09 | C08 | H9 | 109.2° | 109.5° |
| C08 | N09 | H10 | 122.1° | 120.1° |
| C08 | C07 | S06 | 106.7° | 109.5° |
| C08 | C07 | H6 | 110.2° | 109.5° |
| C08 | C07 | H7 | 110.1° | 109.5° |
| C07 | C08 | H8 | 109.2° | 109.5° |
| C07 | C08 | H9 | 109.2° | 109.5° |
| C07 | S06 | C04 | 107.7° | 100.0° |
| S06 | C07 | H6 | 110.2° | 109.5° |
| S06 | C07 | H7 | 110.2° | 109.4° |
| O05 | C04 | S06 | 118.0° | 120.0° |
| O05 | C04 | C03 | 120.8° | 120.0° |
| S06 | C04 | C03 | 121.2° | 120.0° |
| C04 | C03 | C02 | 117.0° | 120.0° |
| C04 | C03 | H5 | 121.5° | 120.0° |
| C03 | C02 | C01 | 118.8° | 120.0° |
| C03 | C02 | H4 | 120.6° | 120.0° |
| C02 | C03 | H5 | 121.5° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 120.6° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H8 | C08 | H9 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H35 | N46 | H36 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | P23 | O25 | O26 | 117.1° | 120.0° |
| O24 | P23 | O25 | O22 | 121.4° | 120.0° |
| O24 | P23 | O26 | O22 | 119.2° | 120.0° |
| O24 | P23 | O26 | P27 | 175.8° | 40.0° |
| O24 | P23 | O22 | C21 | 48.8° | 55.0° |
| O24 | P23 | O25 | H25 | 0.0° | 180.0° |
| O25 | P23 | O26 | O22 | 120.9° | 120.0° |
| O25 | P23 | O26 | P27 | 55.9° | 80.0° |
| O25 | P23 | O22 | C21 | 171.3° | 65.0° |
| P23 | O26 | P27 | O28 | 112.9° | 45.0° |
| O26 | P23 | O22 | C21 | 68.7° | 175.0° |
| P23 | O26 | P27 | O29 | 9.7° | 75.0° |
| P23 | O26 | P27 | O30 | 136.4° | 165.0° |
| O26 | P23 | O25 | H25 | 117.1° | 60.0° |
| O22 | P23 | O26 | P27 | 65.0° | 160.0° |
| P23 | O22 | C21 | C18 | 162.3° | 180.0° |
| P23 | O22 | C21 | H23 | 42.6° | 60.0° |
| P23 | O22 | C21 | H24 | 77.9° | 60.0° |
| O22 | P23 | O25 | H25 | 121.4° | 60.0° |
| O26 | P27 | O28 | O29 | 127.3° | 120.0° |
| O26 | P27 | O28 | O30 | 109.4° | 120.0° |
| O26 | P27 | O29 | O30 | 121.1° | 120.0° |
| O26 | P27 | O30 | C31 | 86.3° | 175.0° |
| O26 | P27 | O29 | H26 | 121.4° | 59.9° |
| O28 | P27 | O29 | O30 | 117.5° | 120.0° |
| O28 | P27 | O30 | C31 | 25.6° | 55.0° |
| O28 | P27 | O29 | H26 | 0.0° | 180.0° |
| O22 | C21 | C18 | H23 | 119.7° | 120.0° |
| O22 | C21 | C18 | H24 | 119.8° | 120.0° |
| O22 | C21 | C18 | C19 | 77.2° | 60.0° |
| O22 | C21 | C18 | C20 | 164.9° | 60.0° |
| O22 | C21 | C18 | C17 | 40.8° | 180.0° |
| O22 | C21 | H23 | H24 | 120.7° | 120.0° |
| C21 | C18 | C19 | C20 | 117.6° | 120.0° |
| C21 | C18 | C19 | C17 | 119.7° | 119.9° |
| C21 | C18 | C20 | C17 | 123.1° | 120.0° |
| C21 | C18 | C17 | O53 | 53.0° | 54.1° |
| C21 | C18 | C17 | C15 | 175.1° | 174.0° |
| C21 | C18 | C17 | H16 | 66.7° | 66.0° |
| C21 | C18 | C19 | H17 | 180.0° | 55.7° |
| C21 | C18 | C19 | H18 | 60.0° | 64.4° |
| C21 | C18 | C19 | H19 | 60.0° | 175.6° |
| C21 | C18 | C20 | H20 | 180.0° | 60.0° |
| C21 | C18 | C20 | H21 | 60.0° | 60.0° |
| C21 | C18 | C20 | H22 | 60.0° | 180.0° |
| C18 | C21 | H23 | H24 | 120.7° | 120.0° |
| O29 | P27 | O30 | C31 | 145.4° | 65.0° |
| P27 | O30 | C31 | C32 | 132.7° | 180.0° |
| O30 | P27 | O29 | H26 | 117.5° | 60.0° |
| P27 | O30 | C31 | H27 | 13.3° | 60.0° |
| P27 | O30 | C31 | H28 | 108.0° | 60.0° |
| O30 | C31 | C32 | H27 | 119.3° | 120.0° |
| O30 | C31 | C32 | H28 | 119.3° | 119.9° |
| O30 | C31 | C32 | C33 | 58.8° | 175.0° |
| O30 | C31 | C32 | O36 | 54.5° | 69.7° |
| O30 | C31 | H27 | H28 | 122.0° | 120.0° |
| O30 | C31 | C32 | H29 | 179.4° | 52.7° |
| C31 | C32 | C33 | O36 | 113.7° | 118.8° |
| C31 | C32 | C33 | H29 | 122.2° | 122.3° |
| C31 | C32 | O36 | H29 | 122.5° | 122.3° |
| C31 | C32 | C33 | O48 | 150.4° | 98.6° |
| C31 | C32 | C33 | C34 | 99.8° | 142.8° |
| C31 | C32 | O36 | C35 | 127.7° | 159.3° |
| C32 | C31 | H27 | H28 | 122.0° | 120.0° |
| C31 | C32 | C33 | H30 | 22.8° | 24.0° |
| C19 | C18 | C20 | C17 | 120.0° | 120.0° |
| C19 | C18 | C17 | O53 | 170.7° | 174.0° |
| C19 | C18 | C17 | C15 | 67.2° | 66.1° |
| C19 | C18 | C17 | H16 | 51.0° | 54.0° |
| C18 | C19 | H17 | H18 | 120.0° | 120.1° |
| C18 | C19 | H17 | H19 | 120.0° | 120.0° |
| C18 | C19 | H18 | H19 | 119.9° | 120.0° |
| C19 | C18 | C20 | H20 | 63.1° | 180.0° |
| C19 | C18 | C20 | H21 | 176.9° | 60.0° |
| C19 | C18 | C20 | H22 | 57.0° | 60.0° |
| C19 | C18 | C21 | H23 | 163.1° | 180.0° |
| C19 | C18 | C21 | H24 | 42.6° | 60.0° |
| C20 | C18 | C17 | O53 | 68.8° | 65.9° |
| C20 | C18 | C17 | C15 | 53.4° | 54.0° |
| C20 | C18 | C17 | H16 | 171.6° | 174.0° |
| C20 | C18 | C19 | H17 | 62.4° | 64.3° |
| C20 | C18 | C19 | H18 | 57.6° | 175.6° |
| C20 | C18 | C19 | H19 | 177.5° | 55.6° |
| C18 | C20 | H20 | H21 | 120.0° | 120.0° |
| C18 | C20 | H20 | H22 | 120.0° | 120.0° |
| C18 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C18 | C21 | H23 | 45.2° | 60.0° |
| C20 | C18 | C21 | H24 | 75.3° | 180.0° |
| C18 | C17 | O53 | C15 | 126.4° | 119.9° |
| C18 | C17 | O53 | H16 | 118.3° | 120.1° |
| C18 | C17 | C15 | H16 | 118.0° | 120.0° |
| C18 | C17 | C15 | O16 | 90.9° | 71.8° |
| C18 | C17 | C15 | N14 | 88.6° | 108.2° |
| C17 | C18 | C19 | H17 | 60.3° | 175.6° |
| C17 | C18 | C19 | H18 | 179.7° | 55.6° |
| C17 | C18 | C19 | H19 | 59.8° | 64.5° |
| C17 | C18 | C20 | H20 | 56.9° | 60.0° |
| C17 | C18 | C20 | H21 | 63.1° | 180.0° |
| C17 | C18 | C20 | H22 | 176.9° | 60.0° |
| C17 | C18 | C21 | H23 | 78.9° | 60.0° |
| C17 | C18 | C21 | H24 | 160.6° | 60.0° |
| C18 | C17 | O53 | H40 | 180.0° | 59.9° |
| O52 | P49 | O48 | C33 | 65.4° | 54.9° |
| O52 | P49 | O50 | O48 | 119.7° | 120.1° |
| O52 | P49 | O50 | O51 | 122.2° | 120.0° |
| O52 | P49 | O48 | O51 | 119.8° | 120.0° |
| O52 | P49 | O50 | H38 | 0.0° | 59.9° |
| O52 | P49 | O51 | H39 | 0.0° | 180.0° |
| C33 | C32 | O36 | H29 | 121.3° | 118.9° |
| C32 | C33 | O48 | C34 | 108.7° | 114.6° |
| C32 | C33 | O48 | H30 | 125.8° | 122.6° |
| C32 | C33 | C34 | H30 | 122.0° | 118.8° |
| C32 | C33 | O48 | P49 | 124.4° | 120.0° |
| C33 | C32 | O36 | C35 | 11.4° | 40.5° |
| C32 | C33 | C34 | C35 | 38.2° | 0.0° |
| C32 | C33 | C34 | O47 | 161.4° | 118.6° |
| C33 | C32 | C31 | H27 | 60.6° | 65.0° |
| C33 | C32 | C31 | H28 | 178.1° | 55.1° |
| C32 | C33 | C34 | H31 | 78.2° | 118.7° |
| O36 | C32 | C33 | O48 | 96.0° | 142.6° |
| O36 | C32 | C33 | C34 | 13.9° | 24.0° |
| C32 | O36 | C35 | C34 | 37.0° | 40.5° |
| C32 | O36 | C35 | N37 | 151.6° | 159.4° |
| O36 | C32 | C31 | H27 | 173.8° | 50.3° |
| O36 | C32 | C31 | H28 | 64.8° | 170.4° |
| O36 | C32 | C33 | H30 | 136.5° | 94.8° |
| C32 | O36 | C35 | H32 | 84.8° | 78.3° |
| O53 | C17 | C15 | H16 | 116.8° | 120.0° |
| O53 | C17 | C15 | O16 | 143.9° | 168.3° |
| O53 | C17 | C15 | N14 | 36.6° | 11.7° |
| C17 | C15 | O16 | N14 | 179.5° | 180.0° |
| C17 | C15 | N14 | C13 | 179.6° | 174.9° |
| C17 | C15 | N14 | H15 | 0.4° | 5.1° |
| C15 | C17 | O53 | H40 | 53.7° | 60.0° |
| O48 | C33 | C34 | H30 | 126.8° | 122.6° |
| C33 | O48 | P49 | O50 | 54.1° | 175.0° |
| C33 | O48 | P49 | O51 | 174.8° | 65.0° |
| O48 | C33 | C34 | C35 | 73.1° | 118.6° |
| O48 | C33 | C34 | O47 | 50.2° | 0.0° |
| O48 | C33 | C32 | H29 | 28.2° | 23.7° |
| O48 | C33 | C34 | H31 | 170.5° | 122.7° |
| C34 | C33 | O48 | P49 | 126.9° | 125.4° |
| C33 | C34 | C35 | O36 | 43.5° | 24.0° |
| C33 | C34 | C35 | O47 | 120.8° | 118.7° |
| C33 | C34 | C35 | H31 | 114.7° | 118.7° |
| C33 | C34 | O47 | H31 | 119.2° | 122.7° |
| C33 | C34 | C35 | N37 | 158.6° | 142.8° |
| C34 | C33 | C32 | H29 | 138.0° | 94.9° |
| C33 | C34 | C35 | H32 | 75.2° | 94.9° |
| C33 | C34 | O47 | H37 | 180.0° | 180.0° |
| O50 | P49 | O48 | O51 | 120.7° | 120.0° |
| O50 | P49 | O51 | H39 | 120.7° | 60.0° |
| P49 | O48 | C33 | H30 | 1.4° | 2.6° |
| O48 | P49 | O50 | H38 | 119.7° | 180.0° |
| O48 | P49 | O51 | H39 | 118.4° | 59.9° |
| O51 | P49 | O50 | H38 | 122.3° | 60.0° |
| O36 | C35 | C34 | N37 | 115.1° | 118.8° |
| O36 | C35 | C34 | H32 | 118.7° | 118.9° |
| O36 | C35 | C34 | O47 | 164.3° | 142.6° |
| O36 | C35 | N37 | H32 | 122.4° | 122.3° |
| O36 | C35 | N37 | C38 | 39.3° | 20.7° |
| O36 | C35 | N37 | C45 | 142.4° | 159.7° |
| C35 | O36 | C32 | H29 | 109.8° | 78.4° |
| O36 | C35 | C34 | H31 | 71.1° | 94.7° |
| O16 | C15 | N14 | C13 | 1.0° | 5.1° |
| O16 | C15 | N14 | H15 | 179.0° | 174.9° |
| O16 | C15 | C17 | H16 | 27.2° | 48.2° |
| C15 | N14 | C13 | H15 | 180.0° | 180.0° |
| C15 | N14 | C13 | C12 | 82.7° | 180.0° |
| C15 | N14 | C13 | H13 | 37.8° | 60.0° |
| C15 | N14 | C13 | H14 | 156.7° | 60.0° |
| N14 | C15 | C17 | H16 | 153.4° | 131.7° |
| C35 | C34 | O47 | H31 | 124.8° | 122.6° |
| C34 | C35 | N37 | H32 | 127.6° | 122.3° |
| C34 | C35 | N37 | C38 | 70.7° | 94.6° |
| C34 | C35 | N37 | C45 | 107.6° | 85.0° |
| C35 | C34 | C33 | H30 | 160.2° | 118.7° |
| C35 | C34 | O47 | H37 | 64.0° | 65.3° |
| O47 | C34 | C35 | N37 | 80.6° | 98.6° |
| O47 | C34 | C33 | H30 | 76.6° | 122.6° |
| O47 | C34 | C35 | H32 | 45.6° | 23.7° |
| C35 | N37 | C38 | C45 | 178.5° | 179.7° |
| C35 | N37 | C38 | N39 | 179.1° | 180.0° |
| C35 | N37 | C45 | C40 | 179.1° | 179.9° |
| C35 | N37 | C45 | N44 | 1.0° | 0.9° |
| N37 | C35 | C34 | H31 | 43.9° | 24.1° |
| C35 | N37 | C38 | H33 | 1.0° | 0.0° |
| N37 | C38 | N39 | H33 | 180.0° | 180.0° |
| N37 | C38 | N39 | C40 | 0.3° | 0.0° |
| C38 | N37 | C45 | C40 | 0.6° | 0.4° |
| C38 | N37 | C45 | N44 | 179.5° | 179.4° |
| C38 | N37 | C35 | H32 | 161.7° | 143.1° |
| N39 | C38 | N37 | C45 | 0.6° | 0.3° |
| C38 | N39 | C40 | C45 | 0.1° | 0.3° |
| C38 | N39 | C40 | C41 | 178.9° | 180.0° |
| N14 | C13 | C12 | H13 | 120.5° | 120.0° |
| N14 | C13 | C12 | H14 | 120.5° | 120.0° |
| N14 | C13 | C12 | C10 | 178.8° | 180.0° |
| N14 | C13 | C12 | H11 | 61.8° | 60.0° |
| N14 | C13 | C12 | H12 | 59.4° | 60.0° |
| N14 | C13 | H13 | H14 | 118.3° | 120.0° |
| N37 | C45 | C40 | N39 | 0.4° | 0.4° |
| N37 | C45 | C40 | N44 | 179.9° | 179.2° |
| N37 | C45 | C40 | C41 | 179.5° | 179.8° |
| N37 | C45 | N44 | C43 | 179.2° | 179.6° |
| C45 | N37 | C35 | H32 | 20.0° | 37.3° |
| C45 | N37 | C38 | H33 | 179.5° | 179.7° |
| N39 | C40 | C45 | C41 | 179.1° | 179.8° |
| N39 | C40 | C45 | N44 | 179.7° | 179.6° |
| N39 | C40 | C41 | N46 | 1.4° | 0.0° |
| N39 | C40 | C41 | N42 | 179.3° | 180.0° |
| C40 | N39 | C38 | H33 | 179.7° | 180.0° |
| C13 | C12 | C10 | H11 | 119.4° | 120.0° |
| C13 | C12 | C10 | H12 | 119.4° | 120.1° |
| C13 | C12 | C10 | O11 | 61.8° | 0.0° |
| C13 | C12 | C10 | N09 | 120.0° | 180.0° |
| C13 | C12 | H11 | H12 | 121.7° | 120.0° |
| C12 | C13 | H13 | H14 | 118.3° | 120.0° |
| C12 | C13 | N14 | H15 | 97.3° | 0.0° |
| C12 | C10 | O11 | N09 | 178.2° | 180.0° |
| C12 | C10 | N09 | C08 | 179.5° | 180.0° |
| C12 | C10 | N09 | H10 | 0.5° | 0.0° |
| C10 | C12 | H11 | H12 | 121.7° | 120.0° |
| C10 | C12 | C13 | H13 | 58.3° | 60.0° |
| C10 | C12 | C13 | H14 | 60.6° | 59.9° |
| C40 | C45 | N44 | C43 | 0.9° | 0.7° |
| C45 | C40 | C41 | N46 | 179.8° | 179.7° |
| C45 | C40 | C41 | N42 | 0.5° | 0.2° |
| N44 | C45 | C40 | C41 | 0.6° | 0.6° |
| C45 | N44 | C43 | N42 | 1.1° | 0.4° |
| C45 | N44 | C43 | H34 | 178.9° | 179.7° |
| C40 | C41 | N46 | N42 | 179.3° | 180.0° |
| C40 | C41 | N42 | C43 | 0.8° | 0.1° |
| C40 | C41 | N46 | H35 | 179.3° | 0.0° |
| C40 | C41 | N46 | H36 | 59.3° | 180.0° |
| N44 | C43 | N42 | C41 | 1.1° | 0.0° |
| N44 | C43 | N42 | H34 | 180.0° | 180.0° |
| O11 | C10 | N09 | C08 | 1.3° | 0.0° |
| O11 | C10 | N09 | H10 | 178.7° | 180.0° |
| O11 | C10 | C12 | H11 | 178.8° | 120.0° |
| O11 | C10 | C12 | H12 | 57.7° | 120.0° |
| C10 | N09 | C08 | H10 | 180.0° | 180.0° |
| C10 | N09 | C08 | C07 | 97.9° | 180.0° |
| C10 | N09 | C08 | H8 | 141.9° | 60.0° |
| C10 | N09 | C08 | H9 | 22.3° | 60.0° |
| N09 | C10 | C12 | H11 | 0.6° | 60.0° |
| N09 | C10 | C12 | H12 | 120.6° | 59.9° |
| N46 | C41 | N42 | C43 | 179.9° | 179.9° |
| C41 | N46 | H35 | H36 | 120.0° | 180.0° |
| C41 | N42 | C43 | H34 | 178.9° | 180.0° |
| N42 | C41 | N46 | H35 | 0.0° | 180.0° |
| N42 | C41 | N46 | H36 | 120.0° | 0.0° |
| N09 | C08 | C07 | H8 | 120.2° | 120.0° |
| N09 | C08 | C07 | H9 | 120.2° | 120.0° |
| N09 | C08 | C07 | S06 | 159.6° | 180.0° |
| N09 | C08 | C07 | H6 | 80.8° | 60.0° |
| N09 | C08 | C07 | H7 | 40.1° | 60.0° |
| N09 | C08 | H8 | H9 | 119.5° | 120.0° |
| C08 | C07 | S06 | H6 | 119.6° | 120.1° |
| C08 | C07 | S06 | H7 | 119.6° | 120.0° |
| C08 | C07 | S06 | C04 | 69.8° | 180.0° |
| C08 | C07 | H6 | H7 | 121.3° | 120.1° |
| C07 | C08 | H8 | H9 | 119.5° | 120.0° |
| C07 | C08 | N09 | H10 | 82.1° | 0.0° |
| C07 | S06 | C04 | O05 | 6.2° | 0.0° |
| C07 | S06 | C04 | C03 | 172.5° | 180.0° |
| S06 | C07 | H6 | H7 | 121.3° | 119.9° |
| S06 | C07 | C08 | H8 | 39.4° | 60.0° |
| S06 | C07 | C08 | H9 | 80.2° | 60.0° |
| O05 | C04 | S06 | C03 | 178.7° | 179.9° |
| O05 | C04 | C03 | C02 | 53.0° | 0.1° |
| O05 | C04 | C03 | H5 | 127.0° | 180.0° |
| S06 | C04 | C03 | C02 | 128.3° | 180.0° |
| S06 | C04 | C03 | H5 | 51.7° | 0.1° |
| C04 | S06 | C07 | H6 | 170.6° | 60.0° |
| C04 | S06 | C07 | H7 | 49.7° | 59.9° |
| C04 | C03 | C02 | H5 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 179.6° | 180.0° |
| C04 | C03 | C02 | H4 | 0.4° | 0.0° |
| C03 | C02 | C01 | H4 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 0.5° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 0.0° | 0.0° |
| H2 | C01 | C02 | H4 | 120.0° | 120.0° |
| H3 | C01 | C02 | H4 | 120.0° | 120.0° |
| H4 | C02 | C03 | H5 | 179.6° | 179.9° |
| H6 | C07 | C08 | H8 | 159.0° | 180.0° |
| H6 | C07 | C08 | H9 | 39.4° | 60.1° |
| H7 | C07 | C08 | H8 | 80.1° | 60.0° |
| H7 | C07 | C08 | H9 | 160.2° | 180.0° |
| H8 | C08 | N09 | H10 | 38.1° | 120.0° |
| H9 | C08 | N09 | H10 | 157.7° | 120.0° |
| H11 | C12 | C13 | H13 | 177.7° | 180.0° |
| H11 | C12 | C13 | H14 | 58.8° | 60.0° |
| H12 | C12 | C13 | H13 | 61.1° | 60.1° |
| H12 | C12 | C13 | H14 | 179.9° | 180.0° |
| H13 | C13 | N14 | H15 | 142.2° | 120.0° |
| H14 | C13 | N14 | H15 | 23.3° | 120.0° |
| H16 | C17 | O53 | H40 | 61.7° | 180.0° |
| H17 | C19 | H18 | H19 | 120.0° | 119.9° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
| H27 | C31 | C32 | H29 | 61.3° | 172.7° |
| H28 | C31 | C32 | H29 | 60.1° | 67.2° |
| H29 | C32 | C33 | H30 | 99.3° | 146.2° |
| H30 | C33 | C34 | H31 | 43.7° | 0.1° |
| H31 | C34 | C35 | H32 | 170.1° | 146.4° |
| H31 | C34 | O47 | H37 | 60.8° | 57.3° |
